DPM Fluent

Chapter 22.
Modeling Discrete Phase
This chapter describes the Lagrangian discrete phase capabilities available in FLUENT and how to use them. Information is organized into the following sections: Section 22.1: Introduction Section 22.2: Particle Motion Theory Section 22.3: Multicomponent Particle Theory Section 22.4: Wall-Film Model Theory Section 22.5: Particle Erosion and Accretion Theory Section 22.6: Dynamic Drag Model Theory Section 22.7: Spray Model Theory Section 22.8: Atomizer Model Theory Section 22.9: One-Way and Two-Way Coupling Section 22.10: Discrete Phase Model (DPM) Boundary Conditions Section 22.11: Steps for Using the Discrete Phase Models Section 22.12: Setting Initial Conditions for the Discrete Phase Section 22.13: Setting Boundary Conditions for the Discrete Phase Section 22.14: Setting Material Properties for the Discrete Phase Section 22.15: Solution Strategies for the Discrete Phase Section 22.16: Postprocessing for the Discrete Phase
c Fluent Inc. September 29, 2006
22-1
22.1
Introduction
In addition to solving transport equations for the continuous phase, FLUENT allows you to simulate a discrete second phase in a Lagrangian frame of reference. This second phase consists of spherical particles (which may be taken to represent droplets or bubbles) dispersed in the continuous phase. FLUENT computes the trajectories of these discrete phase entities, as well as heat and mass transfer to/from them. The coupling between the phases and its impact on both the discrete phase trajectories and the continuous phase ow can be included. FLUENT provides the following discrete phase modeling options: calculation of the discrete phase trajectory using a Lagrangian formulation that includes the discrete phase inertia, hydrodynamic drag, and the force of gravity, for both steady and unsteady ows prediction of the eects of turbulence on the dispersion of particles due to turbulent eddies present in the continuous phase heating/cooling of the discrete phase vaporization and boiling of liquid droplets combusting particles, including volatile evolution and char combustion to simulate coal combustion optional coupling of the continuous phase ow eld prediction to the discrete phase calculations droplet breakup and coalescence These modeling capabilities allow FLUENT to simulate a wide range of discrete phase problems including particle separation and classication, spray drying, aerosol dispersion, bubble stirring of liquids, liquid fuel combustion, and coal combustion. The physical equations used for these discrete phase calculations are described in Sections 22.222.9.1, and instructions for setup, solution, and postprocessing are provided in Sections 22.11 22.16.
22.1.1
Overview
Advances in computational uid mechanics have provided the basis for further insight into the dynamics of multiphase ows. Currently there are two approaches for the numerical calculation of multiphase ows: the Euler-Lagrange approach (discussed below) and the Euler-Euler approach (discussed in Section 23.2.1: Approaches to Multiphase Modeling).
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22.1 Introduction
The Euler-Lagrange Approach

The Lagrangian discrete phase model in FLUENT (described in Chapter 22: Modeling Discrete Phase) follows the Euler-Lagrange approach. The uid phase is treated as a continuum by solving the time-averaged Navier-Stokes equations, while the dispersed phase is solved by tracking a large number of particles, bubbles, or droplets through the calculated ow eld. The dispersed phase can exchange momentum, mass, and energy with the uid phase. A fundamental assumption made in this model is that the dispersed second phase occupies a low volume fraction, even though high mass loading (mparticles muid ) is acceptable. The particle or droplet trajectories are computed individually at specied intervals during the uid phase calculation. This makes the model appropriate for the modeling of spray dryers, coal and liquid fuel combustion, and some particle-laden ows, but inappropriate for the modeling of liquid-liquid mixtures, uidized beds, or any application where the volume fraction of the second phase is not negligible.
22.1.2
Limitations
Limitation on the Particle Volume Fraction

The discrete phase formulation used by FLUENT contains the assumption that the second phase is suciently dilute that particle-particle interactions and the eects of the particle volume fraction on the gas phase are negligible. In practice, these issues imply that the discrete phase must be present at a fairly low volume fraction, usually less than 1012%. Note that the mass loading of the discrete phase may greatly exceed 1012%: you may solve problems in which the mass ow of the discrete phase equals or exceeds that of the continuous phase. See Chapter 23: Modeling Multiphase Flows for information about when you might want to use one of the general multiphase models instead of the discrete phase model.
Limitation on Modeling Continuous Suspensions of Particles

The steady-particle Lagrangian discrete phase model described in this chapter is suited for ows in which particle streams are injected into a continuous phase ow with a welldened entrance and exit condition. The Lagrangian model does not eectively model ows in which particles are suspended indenitely in the continuum, as occurs in solid suspensions within closed systems such as stirred tanks, mixing vessels, or uidized beds. The unsteady-particle discrete phase model, however, is capable of modeling continuous suspensions of particles. See Chapter 23: Modeling Multiphase Flows for information about when you might want to use one of the general multiphase models instead of the discrete phase models.
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Limitations on Using the Discrete Phase Model with Other FLUENT Models
The following restrictions exist on the use of other models with the discrete phase model: When tracking particles in parallel, the DPM model cannot be used with any of the multiphase ow models (VOF, mixture, or Eulerian see Chapter 23: Modeling Multiphase Flows) if the shared memory option is enabled (Section 22.11.9: Parallel Processing for the Discrete Phase Model). (Note that using the message passing option, when running in parallel, enables the compatibility of all multiphase ow models with the DPM model.) Streamwise periodic ow (either specied mass ow rate or specied pressure drop) cannot be modeled when the discrete phase model is used. Only nonreacting particles can be included when the premixed combustion model is used. Surface injections will be moved with the grid when a sliding mesh or a moving or deforming mesh is being used, however only those surfaces associated with a boundary will be recalculated. Injections from cut plane surfaces will not be moved with the mesh and will be deleted when remeshing occurs. The cloud model is not available for unsteady particle tracking, or in parallel, when using the message passing option for the particles. The wall-lm model is only valid for liquid materials. If a nonliquid particle interacts with a wall-lm boundary, the boundary condition will default to the reect boundary condition. When multiple reference frames are used in conjunction with the discrete phase model, the display of particle tracks will not, by default, be meaningful. Similarly, coupled discrete-phase calculations are not meaningful. An alternative approach for particle tracking and coupled discrete-phase calculations with multiple reference frames is to track particles based on absolute velocity instead of relative velocity. To make this change, use the define/models/dpm/ options/track-in-absolute-frame text command. Note that the results may strongly depend on the location of walls inside the multiple reference frame. The particle injection velocities (specied in the Set Injection Properties panel) are dened relative to the frame of reference in which the particles are tracked. By default, the injection velocities are specied relative to the local reference frame. If you enable the track-in-absolute-frame option, the injection velocities are specied relative to the absolute frame. Relative particle tracking cannot be used in combination with sliding and moving deforming meshes. If sliding and/or deforming meshes are used with the DPM
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22.2 Particle Motion Theory
model, the particles will always be tracked in the absolute frame. Switching to the relative frame is not permitted.
22.2 Particle Motion Theory 22.2.1 Equations of Motion for Particles
Particle Force Balance

FLUENT predicts the trajectory of a discrete phase particle (or droplet or bubble) by integrating the force balance on the particle, which is written in a Lagrangian reference frame. This force balance equates the particle inertia with the forces acting on the particle, and can be written (for the x direction in Cartesian coordinates) as dup gx (p ) = FD (u up ) + + Fx dt p (22.2-1)
where Fx is an additional acceleration (force/unit particle mass) term, FD (u up ) is the drag force per unit particle mass and FD = 18 CD Re p d2 24 p (22.2-2)
Here, u is the uid phase velocity, up is the particle velocity, is the molecular viscosity of the uid, is the uid density, p is the density of the particle, and dp is the particle diameter. Re is the relative Reynolds number, which is dened as Re dp |up u| (22.2-3)
Inclusion of the Gravity Term

While Equation 22.2-1 includes a force of gravity on the particle, it is important to note that in FLUENT the default gravitational acceleration is zero. If you want to include the gravitational force, you must remember to dene the magnitude and direction of the gravity vector in the Operating Conditions panel.
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Other Forces
Equation 22.2-1 incorporates additional forces (Fx ) in the particle force balance that can be important under special circumstances. The rst of these is the virtual mass force, the force required to accelerate the uid surrounding the particle. This force can be written as Fx = 1 d (u up ) 2 p dt (22.2-4)
and is important when > p . An additional force arises due to the pressure gradient in the uid: u Fx = up i (22.2-5) p xi
Laws for Drag Coefcients

The drag coecient, CD , can be taken from either CD = a1 + a2 a3 + 2 Re Re (22.2-6)
where a1 , a2 , and a3 are constants that apply to smooth spherical particles over several ranges of Re given by Morsi and Alexander [252], or CD = where b1 b2 b3 b4 = = = = exp(2.3288 6.4581 + 2.44862 ) 0.0964 + 0.5565 exp(4.905 13.8944 + 18.42222 10.25993 ) exp(1.4681 + 12.2584 20.73222 + 15.88553 ) 24 b3 Resph 1 + b1 Resph b2 + Resph b4 + Resph (22.2-7)
(22.2-8)
which is taken from Haider and Levenspiel [131]. The shape factor, , is dened as s = (22.2-9) S where s is the surface area of a sphere having the same volume as the particle, and S is the actual surface area of the particle. The Reynolds number Resph is computed with the diameter of a sphere having the same volume.
The shape factor cannot exceed a value of 1.
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For sub-micron particles, a form of Stokes drag law is available [273]. In this case, FD is dened as FD = 18 dp 2 p Cc (22.2-10)
The factor Cc is the Cunningham correction to Stokes drag law, which you can compute from Cc = 1 + 2 (1.257 + 0.4e(1.1dp /2) ) dp (22.2-11)
where is the molecular mean free path. A high-Mach-number drag law is also available. This drag law is similar to the spherical law (Equation 22.2-6) with corrections [61] to account for a particle Mach number greater than 0.4 at a particle Reynolds number greater than 20. For unsteady models involving discrete phase droplet breakup, a dynamic drag law option is also available. See Section 22.6: Dynamic Drag Model Theory for a description of this law. Instructions for selecting the drag law are provided in Section 22.11.4: Alternate Drag Laws.
Forces in Rotating Reference Frames

The additional force term, Fx , in Equation 22.2-1 also includes forces on particles that arise due to rotation of the reference frame. These forces arise when you are modeling ows in rotating frames of reference (see Section 10.2: Flow in a Rotating Reference Frame). For rotation dened about the z axis, for example, the forces on the particles in the Cartesian x and y directions can be written as 1 2 x + 2 uy,p uy p p
(22.2-12)
where uy,p and uy are the particle and uid velocities in the Cartesian y direction, and 1 2 y 2 ux,p ux p p (22.2-13)
where ux,p and ux are the particle and uid velocities in the Cartesian x direction.
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Thermophoretic Force
Small particles suspended in a gas that has a temperature gradient experience a force in the direction opposite to that of the gradient. This phenomenon is known as thermophoresis. FLUENT can optionally include a thermophoretic eect on particles in the additional acceleration (force/unit mass) term, Fx , in Equation 22.2-1: Fx = DT,p 1 T mp T x (22.2-14)
where DT,p is the thermophoretic coecient. You can dene the coecient to be constant, polynomial, or a user-dened function, or you can use the form suggested by Talbot [366]: 6dp 2 Cs (K + Ct Kn) 1 T Fx = (1 + 3Cm Kn)(1 + 2K + 2Ct Kn) mp T x where: Kn K k kp CS Ct Cm mp T = = = = = = = = = = = Knudsen number = 2 /dp mean free path of the uid k/kp uid thermal conductivity based on translational energy only = (15/4) R particle thermal conductivity 1.17 2.18 1.14 particle mass local uid temperature uid viscosity (22.2-15)
This expression assumes that the particle is a sphere and that the uid is an ideal gas.
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Brownian Force
For sub-micron particles, the eects of Brownian motion can be optionally included in the additional force term. The components of the Brownian force are modeled as a Gaussian white noise process with spectral intensity Sn,ij given by [204] Sn,ij = S0 ij where ij is the Kronecker delta function, and S0 = 216kB T 2 d5 p
p 2
(22.2-16)
(22.2-17) Cc
T is the absolute temperature of the uid, is the kinematic viscosity, and kB is the Boltzmann constant. Amplitudes of the Brownian force components are of the form So t
Fbi = i
(22.2-18)
where i are zero-mean, unit-variance-independent Gaussian random numbers. The amplitudes of the Brownian force components are evaluated at each time step. The energy equation must be enabled in order for the Brownian force to take eect. Brownian force is intended only for nonturbulent models.
Saffmans Lift Force

The Samans lift force, or lift due to shear, can also be included in the additional force term as an option. The lift force used is from Li and Ahmadi [204] and is a generalization of the expression provided by Saman [312]: 2K 1/2 dij (v vp ) p dp (dlk dkl )1/4
F =
(22.2-19)
where K = 2.594 and dij is the deformation tensor. This form of the lift force is intended for small particle Reynolds numbers. Also, the particle Reynolds number based on the particle-uid velocity dierence must be smaller than the square root of the particle Reynolds number based on the shear eld. Since this restriction is valid for submicron particles, it is recommended to use this option only for submicron particles.
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22.2.2
Turbulent Dispersion of Particles
The dispersion of particles due to turbulence in the uid phase can be predicted using the stochastic tracking model or the particle cloud model (see Section 22.2.2: Turbulent Dispersion of Particles). The stochastic tracking (random walk) model includes the eect of instantaneous turbulent velocity uctuations on the particle trajectories through the use of stochastic methods (see Section 22.2.2: Stochastic Tracking). The particle cloud model tracks the statistical evolution of a cloud of particles about a mean trajectory (see Section 22.2.2: Particle Cloud Tracking). The concentration of particles within the cloud is represented by a Gaussian probability density function (PDF) about the mean trajectory. For stochastic tracking a model is available to account for the generation or dissipation of turbulence in the continuous phase (see Section 22.9.1: Coupling Between the Discrete and Continuous Phases).
Turbulent dispersion of particles cannot be included if the Spalart-Allmaras turbulence model is used.
Stochastic Tracking
When the ow is turbulent, FLUENT will predict the trajectories of particles using the mean uid phase velocity, u, in the trajectory equations (Equation 22.2-1). Optionally, you can include the instantaneous value of the uctuating gas ow velocity, u=u+u to predict the dispersion of the particles due to turbulence. In the stochastic tracking approach, FLUENT predicts the turbulent dispersion of particles by integrating the trajectory equations for individual particles, using the instantaneous uid velocity, u + u (t), along the particle path during the integration. By computing the trajectory in this manner for a sucient number of representative particles (termed the number of tries), the random eects of turbulence on the particle dispersion may be accounted for. FLUENT uses a stochastic method (random walk model) to determine the instantaneous gas velocity. In the discrete random walk (DRW) model, the uctuating velocity components are discrete piecewise constant functions of time. Their random value is kept constant over an interval of time given by the characteristic lifetime of the eddies. The DRW model may give nonphysical results in strongly nonhomogeneous diusiondominated ows, where small particles should become uniformly distributed. Instead, the DRW will show a tendency for such particles to concentrate in low-turbulence regions of the ow. (22.2-20)
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The Integral Time Prediction of particle dispersion makes use of the concept of the integral time scale, T , which describes the time spent in turbulent motion along the particle path, ds: T =
0
up (t)up (t + s) ds up 2
(22.2-21)
The integral time is proportional to the particle dispersion rate, as larger values indicate more turbulent motion in the ow. It can be shown that the particle diusivity is given by ui uj T . For small tracer particles that move with the uid (zero drift velocity), the integral time becomes the uid Lagrangian integral time, TL . This time scale can be approximated as TL = CL k (22.2-22)
where CL is to be determined as it is not well known. By matching the diusivity of tracer particles, ui uj TL , to the scalar diusion rate predicted by the turbulence model, t /, one can obtain TL 0.15 for the k- model and its variants, and TL 0.30 k (22.2-24) k (22.2-23)
when the Reynolds stress model (RSM) is used [74]. For the k- models, substitute = /k into Equation 22.2-22. The LES model uses the equivalent LES time scales. The Discrete Random Walk Model In the discrete random walk (DRW) model, or eddy lifetime model, the interaction of a particle with a succession of discrete stylized uid phase turbulent eddies is simulated. Each eddy is characterized by a Gaussian distributed random velocity uctuation, u , v , and w a time scale, e
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The values of u , v , and w that prevail during the lifetime of the turbulent eddy are sampled by assuming that they obey a Gaussian probability distribution, so that u = u2 (22.2-25)
where is a normally distributed random number, and the remainder of the right-hand side is the local RMS value of the velocity uctuations. Since the kinetic energy of turbulence is known at each point in the ow, these values of the RMS uctuating components can be dened (assuming isotropy) as u2 = v2= w2= 2k/3 (22.2-26)
for the k- model, the k- model, and their variants. When the RSM is used, nonisotropy of the stresses is included in the derivation of the velocity uctuations:
u v w
= u2 = v2 = w2
(22.2-27) (22.2-28) (22.2-29)
when viewed in a reference frame in which the second moment of the turbulence is diagonal [412]. For the LES model, the velocity uctuations are equivalent in all directions. See Section 12.9.4: Inlet Boundary Conditions for the LES Model for details. The characteristic lifetime of the eddy is dened either as a constant: e = 2TL (22.2-30)
where TL is given by Equation 22.2-22 in general (Equation 22.2-23 by default), or as a random variation about TL : e = TL log(r) (22.2-31)
where r is a uniform random number between 0 and 1 and TL is given by Equation 22.2-23. The option of random calculation of e yields a more realistic description of the correlation function.
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The particle eddy crossing time is dened as tcross = ln 1 Le |u up |
(22.2-32)
where is the particle relaxation time, Le is the eddy length scale, and |u up | is the magnitude of the relative velocity. The particle is assumed to interact with the uid phase eddy over the smaller of the eddy lifetime and the eddy crossing time. When this time is reached, a new value of the instantaneous velocity is obtained by applying a new value of in Equation 22.2-25. Using the DRW Model The only inputs required for the DRW model are the value for the integral time-scale constant, CL (see Equations 22.2-22 and 22.2-30) and the choice of the method used for the prediction of the eddy lifetime. You can choose to use either a constant value or a random value by selecting the appropriate option in the Set Injection Properties panel for each injection, as described in Section 22.12.5: Stochastic Tracking.
Turbulent dispersion of particles cannot be included if the Spalart-Allmaras turbulence model is used.
Stochastic Staggering of Particles In order to obtain a better representation of an injector, the particles can be staggered either spatially or temporally. When particles are staggered spatially, FLUENT randomly samples from the region in which the spray is specied (e.g., the sheet thickness in the pressure-swirl atomizer) so that as the calculation progresses, trajectories will originate from the entire region. This allows the entire geometry specied in the atomizer to be sampled while specifying fewer streams in the input panel, thus decreasing computational expense. When injecting particles in a transient calculation using relatively large time steps in relation to the spray event, the particles can clump together in discrete bunches. The clumps do not look physically realistic, though FLUENT calculates the trajectory for each particle as it passes through a cell and the coupling to the gas phase is properly accounted for. To obtain a statistically smoother representation of the spray, the particles can be staggered in time. During the rst time step, the particle is tracked for a random percentage of its initial step. This results in a sample of the initial volume swept out by the particle during the rst time step and a smoother, more uniform spatial distribution at longer time intervals. The menu for staggering is available in the text user interface, under define/models/dpm/options/particle-staggering.
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The staggering factor in the TUI is a constant which multiplies the random sample. The staggering factor controls the percentage of the initial time step that will be sampled. For example, if the staggering factor is 0.5, then the parcels in the injection will be tracked between half and all of their full initial time step. If the staggering factor is 0.1, then the parcels will be tracked between ninety percent and all of their initial time step. If the staggering factor is set to 0.9, the parcels will be tracked between ten percent and all of their initial time step. This allows the user to control the amount of smoothing between injections. The default values for the options in the TUI are no temporal staggering and a temporal staggering factor of 1.0. The temporal staggering factor is inactive until the ag for temporal staggering is turned on.
Particle Cloud Tracking

Particle dispersion due to turbulent uctuations can also be modeled with the particle cloud model [27, 28, 158, 216]. The turbulent dispersion of particles about a mean trajectory is calculated using statistical methods. The concentration of particles about the mean trajectory is represented by a Gaussian probability density function (PDF) whose variance is based on the degree of particle dispersion due to turbulent uctuations. The mean trajectory is obtained by solving the ensemble-averaged equations of motion for all particles represented by the cloud (see Section 22.2.2: Particle Cloud Tracking). The cloud enters the domain either as a point source or with an initial diameter. The cloud expands due to turbulent dispersion as it is transported through the domain until it exits. As mentioned before, the distribution of particles in the cloud is dened by a probability density function (PDF) based on the position in the cloud relative to the cloud center. The value of the PDF represents the probability of nding particles represented by that cloud with residence time t at location xi in the ow eld. The average particle number density can be obtained by weighting the total ow rate of particles represented by that cloud, m, as n(xi ) = mP (xi , t) (22.2-33)
The PDFs for particle position are assumed to be multivariate Gaussian. These are completely described by their mean, i , and variance, i 2 , and are of the form P (xi , t) = 1
3
es/2 i
(22.2-34)
(2)3/2
i=1
22-14
where
3
s=
i=1
x i i i
(22.2-35)
The mean of the PDF, or the center of the cloud, at a given time represents the most likely location of the particles in the cloud. The mean location is obtained by integrating a particle velocity as dened by an equation of motion for the cloud of particles:
t
i (t) xi (t) =
Vi (t1 ) dt1 + xi (0)
(22.2-36)
The equations of motion are constructed using an ensemble average.

2 The radius of the particle cloud is based on the variance of the PDF. The variance, i (t), of the PDF can be expressed in terms of two particle turbulence statistical quantities: t 0 t2 0
2 i (t) = 2
2 up,i (t2 )
Rp,ii (t2 , t1 )dt1 dt2
(22.2-37)
2 where up,i are the mean square velocity uctuations, and Rp,ij (t2 , t1 ) is the particle velocity correlation function:
Rp,ij (t2 , t1 ) =
up,i (t2 )up,j (t1 )

2 2 up,i (t2 )up,j (t2 ) 1/2
(22.2-38)
By using the substitution = |t2 t1 |, and the fact that Rp,ij (t2 , t1 ) = Rp,ij (t4 , t3 ) whenever |t2 t1 | = |t4 t3 |, we can write
2 i (t) = 2 t 0 2 up,i (t2 ) t2 0
(22.2-39)
Rp,ii ( )d dt2
(22.2-40)
Note that cross correlations in the denition of the variance (Rp,ij , i = j) have been neglected.
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The form of the particle velocity correlation function used determines the particle dispersion in the cloud model. FLUENT uses a correlation function rst proposed by Wang [388], and used by Jain [158]. When the gravity vector is aligned with the z-coordinate direction, Rij takes the form: u 2 ( /a ) St2 B 2 + 1 e StT B 0.5mT T 2 u 2 ( B/T ) mT StT B + e 1 + + 0.5mT T (22.2-41) (22.2-42) (22.2-43)
Rp,11 =
Rp,22 = Rp,11 u 2 StT B ( /a ) u 2 ( B/T ) Rp,33 = e e where B =
1 + m2 2 and a is the aerodynamic response time of the particle: T a = p d2 p 18 (22.2-44)
and mT TmE m 3/4 3/2 C k ( 2 k)1/2 3 a g u a TmE a T St2 (1 + m2 2 ) 1 T T u u u Tf E u G(m) m 1 (1 + St)0.4(1+0.01St)

0
T = Tf E = = St = StT = = m = TmE = mT =
(22.2-45) (22.2-46) (22.2-47) (22.2-48) (22.2-49) (22.2-50) (22.2-51) (22.2-52) (22.2-53)

2
2 G(m) =
ey dy 1+
m2
( erf(y)y 1 + ey2 )
5/2
(22.2-54)
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22.3 Multicomponent Particle Theory
Using this correlation function, the variance is integrated over the life of the cloud. At any given time, the cloud radius is set to three standard deviations in the coordinate directions. The cloud radius is limited to three standard deviations since at least 99.2% of the area under a Gaussian PDF is accounted for at this distance. Once the cells within the cloud are established, the uid properties are ensemble-averaged for the mean trajectory, and the mean path is integrated in time. This is done with a weighting factor dened as P (xi , t)dV (22.2-55) P (xi , t)dV
W (xi , t)
Vcell
Vcloud
If coupled calculations are performed, sources are distributed to the cells in the cloud based on the same weighting factors. Using the Cloud Model The only inputs required for the cloud model are the values of the minimum and maximum cloud diameters. The cloud model is enabled in the Set Injection Properties panel for each injection, as described in Section 22.12.5: Cloud Tracking.
i
22.3
The cloud model is not available for unsteady particle tracking, or in parallel, when using the message passing option for the particles.
Multicomponent Particle Theory
A number of industrially important processes, such as distillation, absorption and extraction, bring into contact two phases which are not at equilibrium. The rate at which a specie is transferred from one phase to the other depends on the departure of the system from equilibrium. The quantitative treatment of these rate processes requires knowledge of the equilibrium states of the system. Apart from these cases, vapor-liquid equilibrium (VLE) relationships in multicomponent systems are needed for the solution of many other classes of engineering problems, such as the computation of evaporation rates in spray combustion applications. In FLUENT the rate of vaporization of a single component droplet is computed from Equation 22.9-20, where Ci,s is the equilibrium concentration of the droplet species in the gas phase, and is computed in Equation 22.9-21 as: Ci,s = psat /RTp (22.3-1)
where Tp is the droplet temperature, and psat is the saturation pressure of the droplet species at Tp .
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For the general case where N components are evaporating from a droplet (distillation), the evaporation rate of each species is again given by Equation 22.9-20; however, psat in Equation 22.3-1 must be replaced by pi , the partial pressure of species i, to calculate the concentration of i at the droplet surface. The partial pressure of species i can be obtained from the general expression for vapor liquid equilibrium [342],
L i yi p = i xi sat,i psat,i exp Vi (p psat,i ) RT
(22.3-2)
which is obtained by equating the fugacity of the liquid and vapor mixtures. Here, i , is the fugacity coecient for species i in the mixture, and accounts for nonideality in the gas; sat,i is the fugacity coecient for pure i at the saturation pressure; i is the activity coecient for species i in the mixture, and accounts for nonideality in the liquid phase; p is the absolute pressure; T is the temperature; R is the universal gas constant; Vi L is the molar volume of the liquid; psat,i is the saturation pressure of species i ; and xi and yi are the equilibrium compositions of species i in the liquid and gas phases, respectively. The exponential term is the Poynting correction factor and accounts for compressibility eects within the liquid. Except at high pressures, the Poynting factor is usually negligible. Under low pressure conditions where the gas phase may be assumed to be ideal, i 1 and sat,i 1. Furthermore, if the liquid is also assumed to be ideal, i 1 and Equation 22.3-2 reduces to Raoults law, yi p = xi psat,i (22.3-3)
Raoults law is the default vapor-liquid equilibrium expression used in the FLUENT multicomponent droplet model. However, there is a UDF hook available for user-dened vapor-liquid equilibrium models. While Raoults law represents the simplest form of the VLE equation, keep in mind that it is of limited use, as the assumptions made for its derivation are usually unrealistic. The most critical assumption is that the liquid phase is an ideal solution. This is not likely to be valid, unless the system is made up of species of similar molecular sizes and chemical nature, such as in the case of benzene and toluene, or n-heptane and n-hexane. When Raoults law is applicable, the vaporization rate of each species from a multicomponent droplet can be computed from Equation 22.9-20, with the equilibrium concentration of species i in the gas phase Ci,s computed as: Ci,s = xi psat,i /RTp (22.3-4)
where Tp is the droplet temperature, xi is the mole fraction of species i in the droplet, and psat,i is the saturation pressure of species i at Tp .
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22.4 Wall-Film Model Theory
22.4
Wall-Film Model Theory Introduction
22.4.1
Spray-wall interaction is an important part of the mixture formation process in port fuel injected (PFI) engines. A fuel spray impinges on a surface, usually at the intake port near the intake valve, as well as at the intake valve itself, where it splashes and subsequently evaporates. The evaporated mixture is entrained into the cylinder of the engine, where it is mixed with the fresh charge and any residual gas in the cylinder. The mixture that is compressed and burned, nally exits through the exhaust port. The process repeats itself between 200 and 8000 times per second, depending on the engine. Several cycles worth of fuel remain in the intake tract due to lm formation on the walls. This in turn makes the lm important in hydrocarbon emissions for PFI engines. Additionally, lm can form inside combustion chambers of direct injection (DI) types of engines. In a direct injection engine, fuel is injected directly into the combustion chamber, where the spray can impinge upon the piston if the injection event is early or late in the cycle. The modeling of the wall-lm inside a DI engine, especially in diesel engines, is compounded by the presence of carbon deposits on the surfaces of the engine. This carbon deposit absorbs the liquid lm as it impinges upon it. It is believed that the carbon deposits adsorb the fuel later in the cycle, however this phenomena is very complex and is not well understood. DPM particles are used to model the wall-lm. The wall-lm model in FLUENT allows a single component liquid drop to impinge upon a boundary surface and form a thin lm. The model can be broken down into four major subtopics: interaction during the initial impact with a wall boundary, subsequent tracking on surfaces, calculation of lm variables, and coupling to the gas phase. Figure 22.4.1 schematically shows the basic mechanisms considered for the wall-lm model. The main assumptions and restrictions for the wall-lm model are as follows: The layer is thin, less than 500 microns in thickness. This limitation is due to the assumption of a linear velocity prole in the lm. The temperature in the lm particles change relatively slowly so that an analytical integration scheme can be utilized. Film particles are assumed to be in direct contact with the wall surface and the heat transfer from the wall to the lm takes place by conduction. The lm temperature never exceeds the boiling temperature for the liquid. The simulation is transient. The wall-lm model is not available with the Workpile Algorithm shared memory option in parallel processing.
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Impinging Fuel Drops Splashing Evaporation Conduction Convective heat transfer Shear Forces Film separation and sheet breakup
22-20
22.4.2
The wall interaction is based on the work of Stanton [353] and ORourke [271], where the regimes are calculated for a drop-wall interaction based on local information. The four regimes, stick, rebound, spread, and splash are based on the impact energy and wall temperature. The following chart is helpful in showing the cutos.
If you wish to model a spray impacting a very hot wall, the wall-jet model may be more appropriate as the assumption in the wall-jet impingement model is that there is a vapor layer underneath the drops which keeps them from making direct contact with the boundary surface. This may be a more accurate assumption for in-cylinder diesel computations at typical operating conditions.
Figure 22.4.1: Mechanisms of Splashing, Momentum, Heat and Mass Transfer for the Wall-Film
Interaction During Impact with a Boundary
Major Physical Phenomena
E 6
Splash
Spread Rebound Stick

-
Tw Figure 22.4.2: Simplied Decision Chart for Wall Interaction Criterion.
Tb
Below the boiling temperature of the liquid, the impinging droplet can either stick, spread or splash, while above the boiling temperature, the particle can either rebound or splash. The criteria by which the regimes are partitioned are based on the impact energy and the boiling temperature of the liquid. The impact energy is dened by E2 = Vr2 D 1 min (h0 /D, 1) + bl /D (22.4-1)
where is the liquid density, Vr is the relative velocity of the particle in the frame of the wall (i.e. Vr2 = (Vp Vw )2 ), D is the diameter of the droplet, and is the surface tension of the liquid. Here, bl is a boundary layer thickness, dened by D bl = Re (22.4-2)
where the Reynolds number is dened as Re = Vr D/. By dening the energy as in Equation 22.4-1, the presence of the lm on the wall suppresses the splash, but does not give unphysical results when the lm height approaches zero. The sticking regime is applied when the dimensionless energy E is less than 16, and the particle velocity is set equal to the wall velocity. In the spreading regime, the initial direction and velocity of the particle are set using the wall-jet model, where the probability of the drop having a particular direction along the surface is given by an analogy of an inviscid liquid jet with an empirically dened radial dependence for the momentum ux. If the wall temperature is above the boiling temperature of the liquid, impingement events below a critical impact energy (E) results in the particles rebounding from the wall. For the rebound regime, the particle rebounds with the following coecient of restitution: e = 0.993 1.76I + 1.562 0.493 I I (22.4-3)
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where I is the impingement angle as measured from the wall surface. Splashing occurs when the impingement energy is above a critical energy threshold, dened as Ecr = 57.7. The number of splashed droplet parcels is set in the Boundary Conditions panel with a default number of 4, however, the user can select numbers between zero and ten. The splashing algorithm follows that described by Stanton [353] and is detailed in Section 22.4.3: Splashing.
22.4.3
Splashing
If the particle impinging on the surface has a suciently high energy, the particle splashes and several new particles are created. The number of particles created by each impact is explicitly set by the user in the DPM tab in the Boundary Conditions panel, as in Figure 22.4.3. The number of splashed parcels may be set to an integer value between zero and ten. The properties (diameter, magnitude, and direction) of the splashed parcels are randomly sampled from the experimentally obtained distribution functions described in the following sections. Setting the number of splashed parcels to zero turns o the splashing calculation. Bear in mind that each splashed parcel can be considered a discrete sample of the distribution curves and that selecting the number of splashed drops in the Boundary Conditions panel does not limit the number of splashed drops, only the number of parcels representing those drops. Therefore, for each splashed parcel, a dierent diameter is obtained by sampling a cumulative probability distribution function (CPDF), which is obtained from a Weibull distribution function and tted to the data from Mundo, et al. [254]. The equation is pdf d D d d = 2 2 exp D D
(22.4-4)
and it represents the probability of nding drops of diameter di in a sample of splashed drops. This distribution is similar to the Nakamura-Tanasawa distribution function used by ORourke [271], but with the peak of the distribution function being D = dmax / 2. To ensure that the distribution functions produce physical results with an increasing Weber number, the following expression for dmax from ORourke [271] is used. The peak of the splashed diameter distribution is dmax /d0 = MAX
2 Ecrit 6.4 , , 0.06 E2 W e
(22.4-5)
where the expression for energy is given by Equation 22.4-1. Low Weber number impacts are described by the second term in Equation 22.4-5 and the peak of the minimum splashed diameter distribution is never less than 0.06 for very high energy impacts in any of the experiments analyzed by ORourke [271]. The Weber number in Equation 22.4-5 is dened using the relative velocity and drop diameter: Vr2 D We = (22.4-6)
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Figure 22.4.3: The Discrete Phase Model Panel and the Film Model Parameters
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The cumulative probability distribution function (CPDF) is needed so that a diameter can be sampled from the experimental data. The CPDF is obtained from integrating Equation 22.4-4 to obtain cpdf d D d = 1 exp D
(22.4-7)
which is bounded by zero and one. An expression for the diameter (which is a function of D, the impingement Weber number W e, and the impingement energy) is obtained by inverting Equation 22.4-7 and sampling the CPDF between zero and one. The expression for the diameter of the ith splashed parcel is therefore given by, di = D ln (1 ci ) where ci is the ith random sample. Once the diameter of the splashed drop has been determined, the probability of nding that drop in a given sample is determined by evaluating Equation 22.4-4 at the given diameter. The number of drops per parcel can be expressed as a function of the total number of splashed drops: Ni = Ntot pdfi (22.4-8)
where the pdfi is for the ith sample. The values of pdfi are then normalized so that their sum is one. Both the number per parcel (Ni ) and the total number of splashed drops (Ntot ) is unknown, but an expression for Ntot can be obtained from the conservation of mass if the total splashed mass is known. The amount of mass splashed from the surface is a quadratic function of the splashing energy, obtained from the experimental data from Mundo [254]. The splashed mass fraction ys is given by ys =
2 2 1.8x104 (E 2 Ecrit ) , Ecrit < E 2 < 7500 0.70 , E 2 > 7500
The authors (ORourke et al. [271]) noted that nearly all of the impacts for typical diesel sprays are well above the upper bound and so the splashing event nearly always ejects 70% of the mass of the impinging drop. To obtain an expression for the total number of drops, we note that overall conservation of mass requires that the sum of the total mass of the splashed parcel(s) must equal the splashed mass fraction, or Ntot 6
Nparcels
pdfn d3 = ys m0 n
n=1
(22.4-9)
where m0 is the total mass of the impinging parcel. The expression for the total number of splashed drops is ys m0 Ntot = Nparcels (pdfn d3 ) n=1 n 6
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The number of splashed drops per parcel is then determined by Equation 22.4-8 with the values of pdfi given by Equation 22.4-4. To calculate the velocity with which the splashed drops leave the surface, additional correlations are sampled for the normal component of the velocity. A Weibull function, t to the data from Mundo [254], is used as the PDF for the normal component. The probability density is given by Vni pdf Vnd where bv = and v = 0.158e0.017I (22.4-12) where I is the angle at which the parcel impacts the surface, or the impingement angle. The tangential component of the velocity is obtained from the expression for the reection angle s : s = 65.4 + 0.226l (22.4-13) combined with Vti = Vni tan(s ) (22.4-14) 2.1, I 50 1.10 + 0.02I , I > 50 (22.4-11) bv = v
Vni /Vnd v
bv 1
Vni /Vnd exp v
bv
(22.4-10)
Finally, an energy balance is performed for the new parcels so that the sum of the kinetic and surface energies of the new drops does not exceed that of the old drops. The energy balance is given by 1 2
Nparcel Nparcel
mi Vi2
i=1
+
i=1
1 Ni d2 = md Vd2 mi Vi2 + md d2 Ecrit i i 2
where Ecrit is the threshold energy for splashing to occur. To ensure conservation of energy, the following correction factor is computed: K=
1 m V2 2 d d
(mi Vi2 ) + (md d2 ) Ecrit i

1 2 Nparcel i=1
Nparcel i=1
(Ni d2 ) i
(mi Vi2 )
(22.4-15)
This correction factor is needed due to the relatively small number of sampled points for the velocity of the splashed drops (see Stanton [354] for more detail). The components of the splashed parcel are multiplied by the square root of K in Equation 22.4-15 so that energy will be conserved. The normal and tangential velocity components of the splashed parcels are therefore given by Vni = KVni and Vti = KVti
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FLUENT will limit the velocity of the splashed parcels so that they do not exceed the impact velocity of the original parcel. It is important to note that splashing events are inherently transient, so the splashing submodel is only available with unsteady tracking in FLUENT. Splashing can also cause large increases in source terms in the cells in which it occurs, which can cause diculty in convergence between time steps. Thus, it may be necessary to use a smaller time step during the simulation when splashing is enabled.
22.4.4
Separation Criteria
The lm can separate from the wall when the stress at an edge of the lm exceeds the adhesion forces holding the lm to the wall. These forces are complex and highly dependent on local surface conditions. An order of magnitude analysis of a lm rounding a sharp corner shows that the stresses at the edge of a lm are proportional to the angle which the lm negotiates. In FLUENT, you can specify the maximum angle that the lm can negotiate using a special text command. For more information, contact your FLUENT support engineer.
22.4.5
Conservation Equations for Wall-Film Particles
Conservation equations for momentum, mass, and energy for individual parcels in the wall-lm are described below. The particle-based approach for thin lms was rst formulated by ORourke [270] and most of the following derivation is based closely on that work. Momentum The equation for the momentum of a parcel on the lm is h dup + h( dt
s pf )
= g tg + w tw + P imp, Mimp, up + F n, + h(g aw )
(22.4-16)
where denotes the current face on which the particle resides, h denotes the current lm height at the particle location, s is the gradient operator restricted to the surface, and pf is the pressure on the surface of the lm. On the right-hand side of Equation 22.4-16, g denotes the magnitude of the shear stress of the gas ow on the surface of the lm, tg is the unit vector in the direction of the relative motion of the gas and the lm surface, l is the liquid viscosity, and w is the magnitude of the stress that the wall exerts on the lm. Similarly to the expression for tg , tw is the unit vector in the direction of the relative motion of the lm and the wall. The remaining expressions on the right-hand side of Equation 22.4-16 are P imp, which denotes the impingement pressure on the lm surface, M imp, is the impingement momentum source, and F n, is the force necessary to keep the lm on the surface, as determined by up n = 0. (22.4-17)
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Here, h(g aw ) is the body force term. Note that the body force term can be very signicant, despite the small values of lm thickness due to the very high acceleration rates seen in simulations with moving boundaries. The requirement represented by Equation 22.4-17 is explicitly enforced at each time step in FLUENT for all particles representing the wall-lm. The term h( s pf ) is the surface gradient of the pressure on the face, pf . This pressure, pf , is the sum of the uid pressure and the impingement pressure from the drops on the face, given by pf = Pcell P imp, n + Mimp, up n where the impingement mass Mimp, is given by Mimp, = l Vp v nf (xs , v, r, Td , t)drdvdTd (22.4-18)
and the impingement pressure is given by P imp, = l Vp vv nf (xs , v, r, Td , t)drdvdTd (22.4-19)
where Vp is the volume of the drop. An approximation of the impingement mass in Equation 22.4-18 is given by Mimp, =
Ns
Vp
n=0
A t,
(22.4-20)
and the corresponding expression of the impingement pressure in Equation 22.4-19 is given by Ni P imp, = Vp (un+1 un ) A t. (22.4-21) p p
n=0
The summation in Equation 22.4-20 is over all the drops which actually stick to the face during the time step (Ns ). The summation in Equation 22.4-21 is over all the particles which impinge upon the face during the same interval (Ni ). The expression for the stress that the gas exerts on the surface of the wall-lm, g , in Equation 22.4-16 is given by
2 g = Cf (ug 2up )2 = Cf Vrelg
where Cf is the skin friction coecient and ug is the gas velocity evaluated at the lm height above the wall. The assumption made in evaluating the skin friction coecient is that the wall shear stress from the gas is constant over the thickness of the lm and the boundary layer above the lm (in the normal direction from the face). The stress is tangent to the wall in the direction of the dierence between the wall-lm velocity and the gas velocity, so the unit vector in the direction of the velocity dierence along the surface is Vrelg (Vrelg n) n tg = |Vrelg (Vrelg n) | n
22-27
where n is the normal face . The expression for the stress that the wall exerts on the lm, w , in Equation 22.4-16 is given by w = l l |2up uw | = |Vrelw | h h
where l is the liquid viscosity and uw is the velocity of the wall. Here, w acts in the direction of the velocity dierence between the wall and the lm, as given by n Vrelw (Vrelw n) . tw = |Vrelw (Vrelw n) | n Note that the tangential unit vectors, tg and tw , are independent and can point in completely dierent directions. Since FLUENT solves a particle position equation of the form dup = up , dt Equation 22.4-16 must be rearranged. The lm particle acceleration is then given by 2Cf |Vrelg | 2l l |uw | Pimp Mimp tw + + g + 2+ up . h2 h h h h (22.4-22) The terms for Mimp and Pimp are used from the previous time step and the dierential equations for the particle motion are solved with the existing integration routines. dup Cf |Vrelg | ( = tg dt h
s pf )
Mass Transfer from the Film The lm vaporization law is applied when the lm particle is above the vaporization temperature Tvap . A wall particle has the temperature limited by the boiling temperature Tbp and does not have a specic boiling law associated with the physics of lm boiling. The vaporization rate of the lm is governed by gradient diusion from the surface exposed to the gas phase. The gradient of vapor concentration between the lm surface and the gas phase is Ni = Bf (Ci,s Ci, ) (22.4-23) where Ni is the molar ux of vapor (with units of kgmol/m2 -s), Bf is the mass transfer coecient (in m/s), and Ci,s and Ci, are the vapor concentrations on the lm surface and in the bulk gas, respectively. The units of vapor concentration are kgmol/m3 . The vapor concentration at the surface is evaluated using the saturated vapor pressure at the lm surface temperature and the bulk gas concentration is obtained from the ow eld solution. The vaporization rate is sensitive to the saturated vapor pressure, similar to droplet vaporization.
22-28
The mass transfer coecient is obtained using a Nusselt correlation for the heat transfer coecient and replacing the Prandtl number with the Schmidt number. The equation is N ux = Bf x = kf
1/2 0.332Rex Sc1/3 Rex < 2500, 0.6 < Sc < 50 0.0296Re4/5 Sc1/3 Rex > 2500, 0.6 < Sc < 60 x
(22.4-24)
where the Reynolds number is based on a representative length derived from the face area. The temperature for the lm surface is equal to the gas temperature, but is limited by the boiling temperature of the liquid. The particle properties are evaluated at the surface temperature when used in correlation 22.4-24. For multicomponent vaporization, the Schmidt number based on the diusivity of each species is used to calculate the correlation in equation 22.4-24 for each component. The mass of the particle is decreased by mp (t + t) = mp (t) Ni Ap Mw,i t (22.4-25)
where Mw,i is the molecular weight of the gas phase species to which the vapor from the liquid is added. The diameter of the lm particle is decreased to account for the mass loss in the individual parcel. This keeps the number of drops in the parcel constant and acts only as a place holder. When the parcel detaches from the boundary, the diameter is set to the height of the lm and the number in the parcel is adjusted so that the overall mass of the parcel is conserved. Energy Transfer from the Film To obtain an equation for the temperature in the lm, energy ux from the gas side as well as energy ux from the wall side must be considered. The assumed temperature prole in the liquid is bilinear, with the surface temperature Ts being the maximum temperature of the gas at the lm height. Furthermore, the boiling point of the liquid and the wall temperature will be the maximum of the wall face temperature Tw , and will be the same boiling temperature as the liquid. An energy balance on a lm particle yields d {mp Cp Tp } = Qcond + Qconv (22.4-26) dt where Qcond is the conduction from the wall, given by Qcond = Ap (Tw Tp ) h
where is the thermal conductivity of the liquid and h is the lm height at the location of the particle, as seen in Figure 22.4.4. The convection from the top surface, Qconv is given by Qconv = hf Ap (Tg Tp ) where hf is the lm heat transfer coecient given by Equation 22.4-24 and Ap is the area represented by a lm particle, taken to be a mass weighted percentage of the face
22-29
area, Af . Contributions from the impingement terms are neglected in this formulation, as well as contributions from the gradients of the mean temperature on the edges of the lm.
Ts
Tp
2h
Tw
Figure 22.4.4: Assumption of a Bilinear Temperature Prole in the Film
Assuming that the temperature changes slowly for each particle in the lm, the equation for the change in temperature of a non vaporizing particle can be written as mp Cp dTp = Ap hf + Tp + hTg + Tw dt h h (22.4-27)
As the particle trajectory is computed, FLUENT integrates Equation 22.4-27 to obtain the particle temperature at the next time value, yielding Tp (t + t) = p + [Tp (t) p ]ep t where t is the integration time step and p and p are given by hf Tg + Tw h p = hf + h and p =
Ap (hf + h ) mp Cp
(22.4-28)
(22.4-29)
(22.4-30)
When the particle changes its mass during vaporization, an additional term is added to Equation 22.4-27 to account for the enthalpy of vaporization, which is given by mp Cp dTp = Ap hf + Tp + hTg + Tw + mp hf g dt h h (22.4-31)
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22.5 Particle Erosion and Accretion Theory
where hf g is the latent heat of vaporization (with units of J/kg) and the expression mp is the rate of evaporation in kg/s. This alters the expression for p in Equation 22.4-29 so that hf Tg + Tw + mp hf g /Ap h p = (22.4-32) hf + h When the wall-lm model is active, the heat ux from the wall to the liquid lm is subtracted from the heat ux from the wall to the gas phase. Additionally, enthalpy from vaporization of the liquid from the wall is subtracted from the cell to which the vapor mass goes. Since lm boiling is modeled by limiting the liquid phase temperature to the boiling point of the material, energy in excess of that absorbed by the liquid will be put into the gas phase. When the thermal boundary conditions on the wall are set to a constant heat ux, the local temperature of the wall face is used as the thermal boundary condition for the wall-lm particles.
22.5
Particle Erosion and Accretion Theory
Particle erosion and accretion rates can be monitored at wall boundaries. The erosion rate is dened as
Nparticles
Rerosion =
p=1
mp C(dp )f ()v b(v) Aface
(22.5-1)
where C(dp ) is a function of particle diameter, is the impact angle of the particle path with the wall face, f () is a function of impact angle, v is the relative particle velocity, b(v) is a function of relative particle velocity, and Aface is the area of the cell face at the wall. Default values are C = 1.8 109 , f = 1, and b = 0. Since C, f , and b are dened as boundary conditions at a wall, rather than properties of a material, the default values are not updated to reect the material being used. You will need to specify appropriate values at all walls. Values of these functions for sand eroding both carbon steel and aluminum are given by Edwards et al. [94]. The erosion rate as calculated above is displayed in units of removed material/(areatime), i.e., mass ux, and can therefore be changed accordingly to the dened units in FLUENT. The functions C and f have to be specied in consistent units to build a dimensionless group with the relative particle velocity and its exponent. To compute an erosion rate in terms of length/time (mm/year, for example) you can either dene a custom eld function to divide the erosion rate by the density of the wall material or include this division in the units for C and/or f . Note that the units given by FLUENT when displaying the erosion rate are no longer valid in the latter case. A variety of erosion models [105, 234, 93, 262, 137, 313] containing model constants [137, 93] and angle functions can be easily implemented into FLUENT. The equations describing
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some of the erosion models can be modied to appear in the form of the general equation describing the erosion rate, Equation 22.5-1. For example, the Tulsa Angle Dependent Model [93] described by Equation 22.5-2 ER = 1559B 0.59 Fs v 1.73 f () (22.5-2)
can be rewritten in the form of Equation 22.5-1 with the following substitutions: v 1.73 1559B 0.59 Fs = v b(v) = C(dp )
where ER is the erosion rate, B is the Brinell hardness, and Fs is a particle shape coecient. User-dened functions can be used to describe erosion models of any form. For more complex models, such as those models with varying function angles, f (), the default Erosion Model in the wall Boundary Conditions panel cannot be used. Hence, a user-dened function should be used instead. For information on how to apply user-dened functions for DPM erosion models, refer to the DEFINE DPM EROSION macro in the separate UDF Manual , or contact your support engineer for further assistance. Note that the particle erosion and accretion rates can be displayed only when coupled calculations are enabled. The accretion rate is dened as
Nparticles
Raccretion =
p=1
mp Aface
(22.5-3)
22.6
Dynamic Drag Model Theory
Accurate determination of droplet drag coecients is crucial for accurate spray modeling. FLUENT provides a method that determines the droplet drag coecient dynamically, accounting for variations in the droplet shape. The dynamic drag model is applicable in almost any circumstance. It is compatible with both the TAB and wave models for droplet breakup. When the collision model is turned on, collisions reset the distortion and distortion velocities of the colliding droplets. Many droplet drag models assume the droplet remains spherical throughout the domain. With this assumption, the drag of a spherical object is determined by the following [217]:

0.424
24 Re
Re > 1000 (22.6-1) Re 1000
Cd,sphere =
1 + 1 Re2/3 6
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22.7 Spray Model Theory
However, as an initially spherical droplet moves through a gas, its shape is distorted signicantly when the Weber number is large. In the extreme case, the droplet shape will approach that of a disk. The drag of a disk, however, is signicantly higher than that of a sphere. Since the droplet drag coecient is highly dependent upon the droplet shape, a drag model that assumes the droplet is spherical is unsatisfactory. The dynamic drag model accounts for the eects of droplet distortion, linearly varying the drag between that of a sphere (Equation 22.6-1) and a value of 1.54 corresponding to a disk [217]. The drag coecient is given by Cd = Cd,sphere (1 + 2.632y) where y is the droplet distortion, as determined by the solution of d2 y CF g u2 Ck Cd l dy = y 2 2 3 dt Cb l r l r l r2 dt (22.6-3) (22.6-2)
In the limit of no distortion (y = 0), the drag coecient of a sphere will be obtained, while at maximum distortion (y = 1) the drag coecient corresponding to a disk will be obtained. Note that Equation 22.6-3 is obtained from the TAB model for spray breakup, described in Section 22.7.2: Taylor Analogy Breakup (TAB) Model, but the dynamic drag model can be used with either of the breakup models.
22.7
Spray Model Theory
In addition to the simple injection types described in Section 22.12.1: Injection Types, FLUENT also provides more complex injection types for sprays. For most types of injections, you will need to provide the initial diameter, position, and velocity of the particles. For sprays, however, there are models available to predict the droplet size and velocity distributions. Models are also available for droplet breakup and collision, as well as a dynamically varying drag coecient which accounts for variation in droplet shape. These models for realistic spray simulations are described in this section. Information is organized into the following subsections: Section 22.7.1: Droplet Collision Model Section 22.7.2: Droplet Breakup Models
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22.7.1
Droplet Collision Model
Introduction
When your simulation includes tracking of droplets, FLUENT provides an option for estimating the number of droplet collisions and their outcomes in a computationally ecient manner. The diculty in any collision calculation is that for N droplets, each droplet has N 1 possible collision partners. Thus, the number of possible collision pairs 1 1 is approximately 2 N 2 . (The factor of 2 appears because droplet A colliding with droplet B is identical to droplet B colliding with droplet A. This symmetry reduces the number of possible collision events by half.) An important consideration is that the collision algorithm must calculate 1 N 2 possible 2 collision events at every time step. Since a spray can consist of several million droplets, the computational cost of a collision calculation from rst principles is prohibitive. This motivates the concept of parcels. Parcels are statistical representations of a number of individual droplets. For example, if FLUENT tracks a set of parcels, each of which represents 1000 droplets, the cost of the collision calculation is reduced by a factor of 106 . Because the cost of the collision calculation still scales with the square of N , the reduction of cost is signicant; however, the eort to calculate the possible intersection of so many parcel trajectories would still be prohibitively expensive. The algorithm of ORourke [268] eciently reduces the computational cost of the spray calculation. Rather than using geometry to see if parcel paths intersect, ORourkes method is a stochastic estimate of collisions. ORourke also makes the assumption that two parcels may collide only if they are located in the same continuous-phase cell. These two assumptions are valid only when the continuous-phase cell size is small compared to the size of the spray. For these conditions, the method of ORourke is second-order accurate at estimating the chance of collisions. The concept of parcels together with the algorithm of ORourke makes the calculation of collision possible for practical spray problems. Once it is decided that two parcels of droplets collide, the algorithm further determines the type of collision. Only coalescence and bouncing outcomes are considered. The probability of each outcome is calculated from the collisional Weber number (W ec ) and a t to experimental observations. Here, W ec =
2 Urel D
(22.7-1)
where Urel is the relative velocity between two parcels and D is the arithmetic mean diameter of the two parcels. The state of the two colliding parcels is modied based on the outcome of the collision.
22-34
Use and Limitations

The collision model assumes that the frequency of collisions is much less than the particle time step. If the particle time step is too large, then the results may be timestep-dependent. You should adjust the particle length scale accordingly. Additionally, the model is most applicable for low-Weber-number collisions where collisions result in bouncing and coalescence. Above a Weber number of about 100, the outcome of collision could be shattering. Sometimes the collision model can cause grid-dependent artifacts to appear in the spray. This is a result of the assumption that droplets can collide only within the same cell. These tend to be visible when the source of injection is at a mesh vertex. The coalescence of droplets tends to cause the spray to pull away from cell boundaries. In two dimensions, a ner mesh and more computational droplets can be used to reduce these eects. In three dimensions, best results are achieved when the spray is modeled using a polar mesh with the spray at the center. If the collision model is used in a transient simulation, multiple DPM iterations per time step cannot be specied in the Number of Continuous Phase Iterations per DPM Iteration eld in the Discrete Phase Model panel. In such cases, only one DPM iteration per time step will be calculated.
Theory
As noted above, ORourkes algorithm assumes that two droplets may collide only if they are in the same continuous-phase cell. This assumption can prevent droplets that are quite close to each other, but not in the same cell, from colliding, although the eect of this error is lessened by allowing some droplets that are farther apart to collide. The overall accuracy of the scheme is second-order in space. Probability of Collision The probability of collision of two droplets is derived from the point of view of the larger droplet, called the collector droplet and identied below with the number 1. The smaller droplet is identied in the following derivation with the number 2. The calculation is in the frame of reference of the larger droplet so that the velocity of the collector droplet is zero. Only the relative distance between the collector and the smaller droplet is important in this derivation. If the smaller droplet is on a collision course with the collector, the centers will pass within a distance of r1 + r2 . More precisely, if the smaller droplet center passes within a at circle centered around the collector of area (r1 + r2 )2 perpendicular to the trajectory of the smaller droplet, a collision will take place. This disk can be used to dene the collision volume, which is the area of the aforementioned disk multiplied by the distance traveled by the smaller droplet in one time step, namely (r1 + r2 )2 vrel t. The algorithm of ORourke uses the concept of a collision volume to calculate the probability of collision. Rather than calculating whether or not the position of the smaller
22-35
droplet center is within the collision volume, the algorithm calculates the probability of the smaller droplet being within the collision volume. It is known that the smaller droplet is somewhere within the continuous-phase cell of volume V . If there is a uniform probability of the droplet being anywhere within the cell, then the chance of the droplet being within the collision volume is the ratio of the two volumes. Thus, the probability of the collector colliding with the smaller droplet is P1 = (r1 + r2 )2 vrel t V (22.7-2)
Equation 22.7-2 can be generalized for parcels, where there are n1 and n2 droplets in the collector and smaller droplet parcels, respectively. The collector undergoes a mean expected number of collisions given by n= n2 (r1 + r2 )2 vrel t V (22.7-3)
The actual number of collisions that the collector experiences is not generally the mean expected number of collisions. The probability distribution of the number of collisions follows a Poisson distribution, according to ORourke, which is given by
n P (n) = e
nn n!
(22.7-4)
where n is the number of collisions between a collector and other droplets. Collision Outcomes Once it is determined that two parcels collide, the outcome of the collision must be determined. In general, the outcome tends to be coalescence if the droplets collide headon, and bouncing if the collision is more oblique. In the reference frame being used here, the probability of coalescence can be related to the oset of the collector droplet center and the trajectory of the smaller droplet. The critical oset is a function of the collisional Weber number and the relative radii of the collector and the smaller droplet. The critical oset is calculated by ORourke using the expression 2.4f We
bcrit = (r1 + r2 ) min 1.0, where f is a function of r1 /r2 , dened as f r1 r2 = r1 r2

3
(22.7-5)
2.4
r1 r2
+ 2.7
r1 r2
(22.7-6)
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22.7 Spray Model Theory The value of the actual collision parameter, b, is (r1 + r2 ) Y , where Y is a random number between 0 and 1. The calculated value of b is compared to bcrit , and if b < bcrit , the result of the collision is coalescence. Equation 22.7-4 gives the number of smaller droplets that coalesce with the collector. The properties of the coalesced droplets are found from the basic conservation laws. In the case of a grazing collision, the new velocities are calculated based on conservation of momentum and kinetic energy. It is assumed that some fraction of the kinetic energy of the droplets is lost to viscous dissipation and angular momentum generation. This fraction is related to b, the collision oset parameter. Using assumed forms for the energy loss, ORourke derived the following expression for the new velocity: m1 v1 + m2 v2 + m2 (v1 v2 ) m1 + m2 b bcrit r1 + r2 bcrit
v1 =
(22.7-7)
This relation is used for each of the components of velocity. No other droplet properties are altered in grazing collisions.
22.7.2
Droplet Breakup Models
FLUENT oers two droplet breakup models: the Taylor analogy breakup (TAB) model and the wave model. The TAB model is recommended for low-Weber-number injections and is well suited for low-speed sprays into a standard atmosphere. For Weber numbers greater than 100, the wave model is more applicable. The wave model is popular for use in high-speed fuel-injection applications. Details for each model are provided below.
Taylor Analogy Breakup (TAB) Model

Introduction The Taylor analogy breakup (TAB) model is a classic method for calculating droplet breakup, which is applicable to many engineering sprays. This method is based upon Taylors analogy [368] between an oscillating and distorting droplet and a spring mass system. Table 22.7.1 illustrates the analogous components. Table 22.7.1: Comparison of a Spring-Mass System to a Distorting Droplet Spring-Mass System restoring force of spring external force damping force Distorting and Oscillating Droplet surface tension forces droplet drag force droplet viscosity forces
22-37
The resulting TAB model equation set, which governs the oscillating and distorting droplet, can be solved to determine the droplet oscillation and distortion at any given time. As described in detail below, when the droplet oscillations grow to a critical value the parent droplet will break up into a number of smaller child droplets. As a droplet is distorted from a spherical shape, the drag coecient changes. A drag model that incorporates the distorting droplet eects is available in FLUENT. See Section 22.6: Dynamic Drag Model Theory for details. Use and Limitations The TAB model is best for low-Weber-number sprays. Extremely high-Weber-number sprays result in shattering of droplets, which is not described well by the spring-mass analogy. Droplet Distortion The equation governing a damped, forced oscillator is [269] F kx d dx d2 x =m 2 dt dt (22.7-8)
where x is the displacement of the droplet equator from its spherical (undisturbed) position. The coecients of this equation are taken from Taylors analogy:
F g u 2 = CF m l r k = Ck 3 m l r d l = Cd 2 m l r
(22.7-9) (22.7-10) (22.7-11)
where l and g are the discrete phase and continuous phase densities, u is the relative velocity of the droplet, r is the undisturbed droplet radius, is the droplet surface tension, and l is the droplet viscosity. The dimensionless constants CF , Ck , and Cd will be dened later. The droplet is assumed to break up if the distortion grows to a critical ratio of the droplet radius. This breakup requirement is given as x > Cb r (22.7-12)
where Cb is a constant equal to 0.5 if breakup is assumed to occur when the distortion is equal to the droplet radius, i.e., the north and south poles of the droplet meet at
22-38
the droplet center. This implicitly assumes that the droplet is undergoing only one (fundamental) oscillation mode. Equation 22.7-8 is nondimensionalized by setting y = x/(Cb r) and substituting the relationships in Equations 22.7-922.7-11: d2 y CF g u2 Ck Cd l dy = y 2 2 3 dt Cb l r l r l r2 dt (22.7-13)
where breakup now occurs for y > 1. For under-damped droplets, the equation governing y can easily be determined from Equation 22.7-13 if the relative velocity is assumed to be constant: 1 dy0 y0 Wec + sin(t) dt td
y(t) = Wec + e(t/td ) (y0 Wec ) cos(t) + where
(22.7-14)
We = Wec = y0 = dy0 = dt 1 = td 2 =
g u 2 r CF We Ck Cb y(0) dy (0) dt Cd l 2 l r 2 1 Ck 3 2 l r td
(22.7-15) (22.7-16) (22.7-17) (22.7-18) (22.7-19) (22.7-20)
In Equation 22.7-14, u is the relative velocity between the droplet and the gas phase and We is the droplet Weber number, a dimensionless parameter dened as the ratio of aerodynamic forces to surface tension forces. The droplet oscillation frequency is represented by . The default value of y0 is 0, based upon the work of Liu et al. [217]. The constants have been chosen to match experiments and theory [189]:
Ck = 8 Cd = 5 1 CF = 3 If Equation 22.7-14 is solved for all droplets, those with y > 1 are assumed to break up. The size and velocity of the new child droplets must be determined.
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Size of Child Droplets The size of the child droplets is determined by equating the energy of the parent droplet to the combined energy of the child droplets. The energy of the parent droplet is [269] dy = 4r2 + K l r5 5 dt
Eparent
+ 2y2
(22.7-21)
where K is the ratio of the total energy in distortion and oscillation to the energy in the fundamental mode, of the order ( 10 ). The child droplets are assumed to be nondistorted 3 and nonoscillating. Thus, the energy of the child droplets can be shown to be Echild = 4r2 r dy + l r 5 r32 6 dt
2
(22.7-22)
where r32 is the Sauter mean radius of the droplet size distribution. r32 can be found by equating the energy of the parent and child droplets (i.e., Equations 22.7-21 and 22.7-22), setting y = 1, and 2 = 8/l r3 : r32 = r 1+
8Ky 2 20
l r 3 (dy/dt)2
6K5 120
(22.7-23)
Once the size of the child droplets is determined, the number of child droplets can easily be determined by mass conservation. Velocity of Child Droplets The TAB model allows for a velocity component normal to the parent droplet velocity to be imposed upon the child droplets. When breakup occurs, the equator of the parent droplet is traveling at a velocity of dx/dt = Cb r(dy/dt). Therefore, the child droplets will have a velocity normal to the parent droplet velocity given by vnormal = Cv Cb r where Cv is a constant of order (1). dy dt (22.7-24)
22-40
Droplet Breakup To model droplet breakup, the TAB model rst determines the amplitude for an undamped oscillation (td ) for each droplet at time step n using the following: (dy/dt)n +
2
A=
(y n
Wec
)2
(22.7-25)
According to Equation 22.7-25, breakup is possible only if the following condition is satised: Wec + A > 1 (22.7-26)
This is the limiting case, as damping will only reduce the chance of breakup. If a droplet fails the above criterion, breakup does not occur. The only additional calculations required then, are to update y using a discretized form of Equation 22.7-14 and its derivative, which are both based on work done by ORourke and Amsden [269]:
y n+1 = Wec + e(t/td ) (y n Wec ) cos(t) +
dy dt
y n Wec sin(t) td (22.7-27)
dy dt
n+1
Wec y n+1 = + td 1 dy dt
n
e(t/td )
y n Wec cos(t) (y n Wec ) sin(t) td
(22.7-28)
All of the constants in these expressions are assumed to be constant throughout the time step. If the criterion of Equation 22.7-26 is met, then breakup is possible. The breakup time, tbu , must be determined to see if breakup occurs within the time step t. The value of tbu is set to the time required for oscillations to grow suciently large that the magnitude of the droplet distortion, y, is equal to unity. The breakup time is determined under the assumption that the droplet oscillation is undamped for its rst period. The breakup time is therefore the smallest root greater than tn of an undamped version of Equation 22.7-14: Wec + A cos[(t tn ) + ] = 1 (22.7-29)
22-41
where cos = and sin = (dy/dt)n A (22.7-31) y n Wec A (22.7-30)
If tbu > tn+1 , then breakup will not occur during the current time step, and y and (dy/dt) are updated by Equations 22.7-27 and 22.7-28. The breakup calculation then continues with the next droplet. Conversely, if tn < tbu < tn+1 , then breakup will occur and the child droplet radii are determined by Equation 22.7-23. The number of child droplets, N , is determined by mass conservation: N n+1 = N n rn rn+1
3
(22.7-32)
It is assumed that the child droplets are neither distorted nor oscillating; i.e., y = (dy/dt) = 0. The child droplets are represented by a number of child parcels which are created from the original parcel. These child parcels are distributed equally along the equator of the parent droplet in a plane normal to the parent relative velocity vector. The diameter of each of the child parcels is sampled from a Rosin Rammler distribution based on the Sauter mean radius (Equation 22.7-23) and a spread parameter of 3.5. A velocity component normal to the relative velocity vector, with magnitude computed by Equation 22.7-24, is imposed upon the child droplets. It is decomposed at the equator into components pointing radially outward.
A large number of child parcels ensures a smooth distribution of particle diameters and source terms which is needed when simulating, for example, evaporating sprays.
22-42
Wave Breakup Model

Introduction An alternative to the TAB model that is appropriate for high-Weber-number ows is the wave breakup model of Reitz [298], which considers the breakup of the droplets to be induced by the relative velocity between the gas and liquid phases. The model assumes that the time of breakup and the resulting droplet size are related to the fastest-growing Kelvin-Helmholtz instability, derived from the jet stability analysis described below. The wavelength and growth rate of this instability are used to predict details of the newlyformed droplets. Use and Limitations The wave model is appropriate for high-speed injections, where the Kelvin-Helmholtz instability is believed to dominate droplet breakup (We > 100). Because this breakup model can increase the number of computational parcels, you may wish to inject a modest number of droplets initially. Jet Stability Analysis The jet stability analysis described in detail by Reitz and Bracco [300] is presented briey here. The analysis considers the stability of a cylindrical, viscous, liquid jet of radius a issuing from a circular orice at a velocity v into a stagnant, incompressible, inviscid gas of density 2 . The liquid has a density, 1 , and viscosity, 1 , and a cylindrical polar coordinate system is used which moves with the jet. An arbitrary innitesimal axisymmetric surface displacement of the form = 0 eikz+t (22.7-33)
is imposed on the initially steady motion and it is thus desired to nd the dispersion relation = (k) which relates the real part of the growth rate, , to its wave number, k = 2/. In order to determine the dispersion relation, the linearized equations for the hydrodynamics of the liquid are solved assuming wave solutions of the form
1 = C1 I0 (kr)eikz+t 1 = C2 I1 (Lr)eikz+t
(22.7-34) (22.7-35)
where 1 and 1 are the velocity potential and stream function, respectively, C1 and C2 are integration constants, I0 and I1 are modied Bessel functions of the rst kind, L2 = k 2 + /1 , and 1 is the liquid kinematic viscosity [298]. The liquid pressure is
22-43
obtained from the inviscid part of the liquid equations. In addition, the inviscid gas equations can be solved to obtain the uctuating gas pressure at r = a: p21 = 2 (U ik)2 k K0 (ka) K1 (ka) (22.7-36)
where K0 and K1 are modied Bessel functions of the second kind and u is the relative velocity between the liquid and the gas. The linearized boundary conditions are
v1 = u1 r and p1 + 21
t v1 = z
(22.7-37) (22.7-38)
2 + a2 2 a2 z
+ p2 = 0
(22.7-39)
which are mathematical statements of the liquid kinematic free surface condition, continuity of shear stress, and continuity of normal stress, respectively. Note that u1 is the axial perturbation liquid velocity, v1 is the radial perturbation liquid velocity, and is the surface tension. Also note that Equation 22.7-38 was obtained under the assumption that v2 = 0. As described by Reitz [298], Equations 22.7-37 and 22.7-38 can be used to eliminate the integration constants C1 and C2 in Equations 22.7-34 and 22.7-35. Thus, when the pressure and velocity solutions are substituted into Equation 22.7-39, the desired dispersion relation is obtained: 2 + 21 k 2 I1 (ka) 2kL I1 (ka) I1 (La) 2 = I0 (ka) k + L2 I0 (ka) I1 (La) L 2 a2 L 2 + a2
k L 2 a2 (1 k 2 a2 ) 1 a2 L 2 + a2
I1 (ka) 2 + U i I0 (ka) 1 k
I1 (ka) K0 (ka) (22.7-40) I0 (ka) K1 (ka)
22-44
As shown by Reitz [298], Equation 22.7-40 predicts that a maximum growth rate (or most unstable wave) exists for a given set of ow conditions. Curve ts of numerical solutions to Equation 22.7-40 were generated for the maximum growth rate, , and the corresponding wavelength, , and are given by Reitz [298]:
(1 + 0.45Oh0.5 )(1 + 0.4Ta0.7 ) = 9.02 a (1 + 0.87We1.67 )0.6 2 1 a3 (0.34 + 0.38We1.5 ) 2 = (1 + Oh)(1 + 1.4Ta0.6 )
(22.7-41) (22.7-42)
where Oh = We1 /Re1 is the Ohnesorge number and Ta = Oh We2 is the Taylor number. Furthermore, We1 = 1 U 2 a/ and We2 = 2 U 2 a/ are the liquid and gas Weber numbers, respectively, and Re1 = U a/1 is the Reynolds number. Droplet Breakup In the wave model, breakup of droplet parcels is calculated by assuming that the radius of the newly-formed droplets is proportional to the wavelength of the fastest-growing unstable surface wave on the parent droplet. In other words, r = B0 (22.7-43)
where B0 is a model constant set equal to 0.61 based on the work of Reitz [298]. Furthermore, the rate of change of droplet radius in the parent parcel is given by da (a r) = , ra dt where the breakup time, , is given by = 3.726B1 a (22.7-45) (22.7-44)
and and are obtained from Equations 22.7-41 and 22.7-42, respectively. The breakup time constant, B1 , is set to a value of 1.73 as recommended by Liu et al. [217]. Values of B1 can range between 1 and 60, depending on the injector characterization. In the wave model, mass is accumulated from the parent drop at a rate given by Equation 22.7-45 until the shed mass is equal to 5% of the initial parcel mass. At this time, a new parcel is created with a radius given by Equation 22.7-43. The new parcel is given the same properties as the parent parcel (i.e., temperature, material, position, etc.) with the exception of radius and velocity. The new parcel is given a component of velocity
22-45
randomly selected in the plane orthogonal to the direction vector of the parent parcel, and the momentum of the parent parcel is adjusted so that momentum is conserved. The velocity magnitude of the new parcel is the same as the parent parcel. You must also specify the model constants which determine how the gas phase interacts with the liquid droplets. For example, the breakup time constant B1 is the constant multiplying the time scale which determines how quickly the parcel will loose mass. Therefore, a larger number means that it takes longer for the particle to loose a given amount. A larger number for B1 in the context of interaction with the gas phase would mean that the interaction with the subgrid is less intense. B0 is the constant for the drop size and is generally taken to be 0.61.
22.8
Atomizer Model Theory
All of the atomization models use physical atomizer parameters, such as orice diameter and mass ow rate, to calculate initial droplet size, velocity, and position. For realistic atomizer simulations, the droplets must be randomly distributed, both spatially through a dispersion angle and in their time of release. For other types of injections in FLUENT (nonatomizer), all of the droplets are released along xed trajectories at the beginning of the time step. The atomizer models use stochastic trajectory selection and staggering to attain a random distribution. Further information on staggering can be found in section Section 22.2.2: Stochastic Staggering of Particles. Stochastic trajectory selection is the random dispersion of initial droplet directions. All of the atomizer models provide an initial dispersion angle, and the stochastic trajectory selection picks an initial direction within this angle. This approach improves the accuracy of the results for spray-dominated ows. The droplets will be more evenly spread among the computational cells near the atomizer, which improves the coupling to the gas phase by spreading drag more smoothly over the cells near the injection. Source terms in the energy and species conservation equations are also more evenly distributed among neighboring cells, improving solution convergence. Five atomizer models are available in FLUENT to predict the spray characteristics from knowledge of global parameters such as nozzle type and liquid ow rate: plain-orice atomizer pressure-swirl atomizer at-fan atomizer air-blast/air-assisted atomizer eervescent/ashing atomizer
22-46
22.8 Atomizer Model Theory
You can choose them as injection types and dene the associated parameters in the Set Injection Properties panel, as described in Section 22.12.1: Injection Types. Details about the atomizer models are provided below.
22.8.1
The Plain-Orice Atomizer Model
The plain-orice is the most common type of atomizer and the most simply made. However there is nothing simple about the physics of the internal nozzle ow and the external atomization. In the plain-orice atomizer model in FLUENT, the liquid is accelerated through a nozzle, forms a liquid jet and then breaks up to form droplets. This apparently simple process is dauntingly complex. The plain orice may operate in three dierent regimes: single-phase, cavitating and ipped [347]. The transition between regimes is abrupt, producing dramatically dierent sprays. The internal regime determines the velocity at the orice exit, as well as the initial droplet size and the angle of droplet dispersion. Diagrams of each case are shown in Figures 22.8.1, 22.8.2, and 22.8.3.
p d
p liquid jet orice walls L
downstream gas
Figure 22.8.1: Single-Phase Nozzle Flow (Liquid Completely Fills the Orice)
22-47
vapor
liquid jet
vapor
orice walls
downstream gas
Figure 22.8.2: Cavitating Nozzle Flow (Vapor Pockets Form Just after the Inlet Corners)
liquid jet orice walls downstream gas
Figure 22.8.3: Flipped Nozzle Flow (Downstream Gas Surrounds the Liquid Jet Inside the Nozzle)
22-48
Internal Nozzle State

To accurately predict the spray characteristics, the plain-orice model in FLUENT must identify the correct state of the internal nozzle ow because the nozzle state has a tremendous eect on the external spray. Unfortunately, there is no established theory for determining the nozzle state. One must rely on empirical models obtained from experimental data. FLUENT uses several dimensionless parameters to determine the internal ow regime for the plain-orice atomizer model. These parameters and the decision-making process are summarized below. A list of the parameters that control internal nozzle ow is given in Table 22.8.1. These parameters may be combined to form nondimensional characteristic lengths such as r/d and L/d, as well as nondimensional groups like the Reynolds number based on hydraulic head (Reh ) and the cavitation parameter (K). Table 22.8.1: List of Governing Parameters for Internal Nozzle Flow nozzle diameter nozzle length radius of curvature of the inlet corner upstream pressure downstream pressure viscosity liquid density vapor pressure d L r p1 p2 l pv
Reh =
dl
2(p1 p2 ) l p1 pv p1 p2
(22.8-1)
K=
(22.8-2)
The liquid ow often contracts in the nozzle, as can be seen in Figures 22.8.2 and 22.8.3. Nurick [265] found it helpful to use a coecient of contraction (Cc ) to represent the reduction in the cross-sectional area of the liquid jet. The coecient of contraction is dened as the area of the stream of contracting liquid over the total cross-sectional area of the nozzle. FLUENT uses Nuricks t for the coecient of contraction: Cc = 1 (22.8-3)
1 2 Cct
11.4r d
22-49
Here, Cct is a theoretical constant equal to 0.611, which comes from potential ow analysis of ipped nozzles.
Coefcient of Discharge
Another important parameter for describing the performance of nozzles is the coecient of discharge (Cd ). The coecient of discharge is the ratio of the mass ow rate through the nozzle to the theoretical maximum mass ow rate: Cd = me A 2l (p1 p2 ) (22.8-4)
where me is the eective mass ow rate of the nozzle, dened by me = 2 m (22.8-5)
Here, m is the mass ow rate specied in the user interface, and is the dierence between the azimuthal stop angle and the azimuthal start angle = stop start (22.8-6)
as input by the user (see Section 22.12.1: Point Properties for Plain-Orice Atomizer Injections). Note that the mass ow rate input by the user should be for the appropriate start and stop angles, in other words the correct mass ow rate for the sector being modeled. Note also that for of 2, the eective mass ow rate is identical to the mass ow rate in the interface. The cavitation number (K in Equation 22.8-2) is an essential parameter for predicting the inception of cavitation. The inception of cavitation is known to occur at a value of Kincep 1.9 for short, sharp-edged nozzles. However, to include the eects of inlet rounding and viscosity, an empirical relationship is used: Kincep = 1.9 1 r d
2
1000 Reh
(22.8-7)
Similarly, a critical value of K where ip occurs is given by Kcrit = 1 + 1 1+

L 4d
1+
2000 Reh
e70r/d
(22.8-8)
If r/d is greater than 0.05, then ip is deemed impossible and Kcrit is set to 1.0.
22-50
The cavitation number, K, is compared to the values of Kincep and Kcrit to identify the nozzle state. The decision tree is shown in Figure 22.8.4. Depending on the state of the nozzle, a unique closure is chosen for the above equations. For a single-phase nozzle (K > Kincep , K Kcrit ) [206], the coecient of discharge is given by Cd = 1
1 Cdu
+ 20 (1+2.25L/d) Reh
(22.8-9)
where Cdu is the ultimate discharge coecient, and is dened as Cdu = 0.827 0.0085 L d (22.8-10)
For a cavitating nozzle (Kcrit K Kincep ) [265] the coecient of discharge is determined from Cd = Cc K For a ipped nozzle (K < Kcrit ) [265], Cd = Cct = 0.611
K Kincep K > K incep
(22.8-11)
(22.8-12)
K < Kcrit
K K crit
K < Kcrit
K Kcrit
ipped
cavitating
ipped
single phase
Figure 22.8.4: Decision Tree for the State of the Cavitating Nozzle
All of the nozzle ow equations are solved iteratively, along with the appropriate relationship for coecient of discharge as given by the nozzle state. The nozzle state may change as the upstream or downstream pressures change. Once the nozzle state is determined, the exit velocity is calculated, and appropriate correlations for spray angle and initial droplet size distribution are determined.
22-51
Exit Velocity
For a single-phase nozzle, the estimate of exit velocity (u) comes from the conservation of mass and the assumption of a uniform exit velocity: u= me l A (22.8-13)
For the cavitating nozzle, Schmidt and Corradini [322] have shown that the uniform exit velocity is not accurate. Instead, they derived an expression for a higher velocity over a reduced area: u= 2Cc p1 p2 + (1 2Cc )pv Cc 2l (p1 pv ) (22.8-14)
This analytical relation is used for cavitating nozzles in FLUENT. For the case of ipped nozzles, the exit velocity is found from the conservation of mass and the value of the reduced ow area: u= me l Cct A (22.8-15)
Spray Angle
The correlation for the spray angle () comes from the work of Ranz [294]:
tan1
4 CA g 3 l 6
= 2
single phase, cavitating (22.8-16) ipped
0.01
The spray angle for both single-phase and cavitating nozzles depends on the ratio of the gas and liquid densities and also the parameter CA . For ipped nozzles, the spray angle has a constant value. The parameter CA , which you must specify, is thought to be a constant for a given nozzle geometry. The larger the value, the narrower the spray. Reitz [299] suggests the following correlation for CA : CA = 3 + L 3.6d (22.8-17)
22-52
The spray angle is sensitive to the internal ow regime of the nozzle. Hence, you may wish to choose smaller values of CA for cavitating nozzles than for single-phase nozzles. Typical values range from 4.0 to 6.0. The spray angle for ipped nozzles is a small, arbitrary value that represents the lack of any turbulence or initial disturbance from the nozzle.
Droplet Diameter Distribution

One of the basic characteristics of an injection is the distribution of drop size. For an atomizer, the droplet diameter distribution is closely related to the nozzle state. FLUENTs spray models use a two-parameter Rosin-Rammler distribution, characterized by the most probable droplet size and a spread parameter. The most probable droplet size, d0 is obtained in FLUENT from the Sauter mean diameter, d32 [199]. For more information about the Rosin-Rammler size distribution, see Section 22.12.1: Using the Rosin-Rammler Diameter Distribution Method. For single-phase nozzle ows, the correlation of Wu et al. [406] is used to calculate d32 and relate the initial drop size to the estimated turbulence quantities of the liquid jet: d32 = 133.0We0.74 , (22.8-18)
where = d/8, is the radial integral length scale at the jet exit based upon fullydeveloped turbulent pipe ow, and We is the Weber number, dened as We l u2 . (22.8-19)
Here, is the droplet surface tension. For a more detailed discussion of droplet surface tension and the Weber number, see Section 22.7.2: Droplet Breakup Models. For more information about mean particle diameters, see Section 22.16.8: Summary Reporting of Current Particles. For cavitating nozzles, FLUENT uses a slight modication of Equation 22.8-18. The initial jet diameter used in Wus correlation, d, is calculated from the eective area of the cavitating orice exit, and thus represents the eective diameter of the exiting liquid jet, de . For an explanation of eective area of cavitating nozzles, please see Schmidt and Corradini [322]. The length scale for a cavitating nozzle is = de /8, where 4me . l u
de =
(22.8-20)
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For the case of the ipped nozzle, the initial droplet diameter is set to the diameter of the liquid jet: d0 = d Cct where d0 is dened as the most probable diameter. The second parameter required to specify the droplet size distribution is the spread parameter, s. The values for the spread parameter are chosen from past modeling experience and from a review of experimental observations. Table 22.8.2 lists the values of s for the three nozzle states. The larger the value of the spread parameter, the narrower the droplet size distribution. Table 22.8.2: Values of Spread Parameter for Dierent Nozzle States State single phase cavitating ipped Spread Parameter 3.5 1.5 (22.8-21)
Since the correlations of Wu et al. provide the Sauter mean diameter, d32 , these are converted to the most probable diameter, d0 . Lefebvre [199] gives the most general relationship between the Sauter mean diameter and most probable diameter for a RosinRammler distribution. The simplied version for s=3.5 is as follows: 1 s
1/s
d0 = 1.2726d32 1
(22.8-22)
At this point, the droplet size, velocity, and spray angle have been determined and the initialization of the injections is complete.
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22.8.2
The Pressure-Swirl Atomizer Model
Another important type of atomizer is the pressure-swirl atomizer, sometimes referred to by the gas-turbine community as a simplex atomizer. This type of atomizer accelerates the liquid through nozzles known as swirl ports into a central swirl chamber. The swirling liquid pushes against the walls of the swirl chamber and develops a hollow air core. It then emerges from the orice as a thinning sheet, which is unstable, breaking up into ligaments and droplets. The pressure-swirl atomizer is very widely used for liquid-fuel combustion in gas turbines, oil furnaces, and direct-injection spark-ignited automobile engines. The transition from internal injector ow to fully-developed spray can be divided into three steps: lm formation, sheet breakup, and atomization. A sketch of how this process is thought to occur is shown in Figure 22.8.5.
half angle dispersion angle
Figure 22.8.5: Theoretical Progression from the Internal Atomizer Flow to the External Spray
The interaction between the air and the sheet is not well understood. It is generally accepted that an aerodynamic instability causes the sheet to break up. The mathematical analysis below assumes that Kelvin-Helmholtz waves grow on the sheet and eventually break the liquid into ligaments. It is then assumed that the ligaments break up into droplets due to varicose instability. Once the liquid droplets are formed, the spray evolution is determined by drag, collision, coalescence, and secondary breakup.
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The pressure-swirl atomizer model used in FLUENT is called the Linearized Instability Sheet Atomization (LISA) model of Schmidt et al. [324]. The LISA model is divided into two stages: 1. lm formation 2. sheet breakup and atomization Both parts of the model are described below.
Film Formation
The centrifugal motion of the liquid within the injector creates an air core surrounded by a liquid lm. The thickness of this lm, t, is related to the mass ow rate by me = ut(dinj t) (22.8-23)
where dinj is the injector exit diameter, and me is the eective mass ow rate, which is dened by equation Equation 22.8-5 . The other unknown in Equation 22.8-23 is u, the axial component of velocity at the injector exit. This quantity depends on internal details of the injector and is dicult to calculate from rst principles. Instead, the approach of Han et al. [133] is used. The total velocity is assumed to be related to the injector pressure by 2p l
U = kv
(22.8-24)
where kv is the velocity coecient. Lefebvre [199] has noted that kv is a function of the injector design and injection pressure. If the swirl ports are treated as nozzles and if it is assumed that the dominant portion of the pressure drop occurs at those ports, kv is the expression for the discharge coecient (Cd ). For single-phase nozzles with sharp inlet corners and L/d ratios of 4, a typical Cd value is 0.78 or less [206]. If the nozzles are cavitating, the value of Cd may be as low as 0.61. Hence, 0.78 should be a practical upper bound for kv . Reducing kv by 10% to 0.7 approximates the eect of other momentum losses on the discharge coecient. Physical limits on kv require that it be less than unity from conservation of energy, yet be large enough to permit sucient mass ow. To guarantee that the size of the air core is non-negative, the following expression is used for kv : kv = max 0.7, 4me cos l 2p (22.8-25)
d2 l 0
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Assuming that p is known, Equation 22.8-24 can be used to nd U . Once U is determined, u is found from u = U cos (22.8-26)
where is the spray angle, which is assumed to be known. At this point, the thickness and axial component of the liquid lm are known at the injector exit. The tangential component of velocity (w = U sin ) is assumed to be equal to the radial velocity component of the liquid sheet downstream of the nozzle exit. The axial component of velocity is assumed to remain constant.
Sheet Breakup and Atomization

The pressure-swirl atomizer model includes the eects of the surrounding gas, liquid viscosity, and surface tension on the breakup of the liquid sheet. Details of the theoretical development of the model are given in Senecal et al. [325] and are only briey presented here. For a more robust implementation, the gas-phase velocity is neglected in calculating the relative liquid-gas velocity and is instead set by the user. This avoids having the injector parameters depend too heavily on the usually under-resolved gas-phase velocity eld very near the injection location. The model assumes that a two-dimensional, viscous, incompressible liquid sheet of thickness 2h moves with velocity U through a quiescent, inviscid, incompressible gas medium. The liquid and gas have densities of l and g , respectively, and the viscosity of the liquid is l . A coordinate system is used that moves with the sheet, and a spectrum of innitesimal wavy disturbances of the form = 0 eikx+t (22.8-27)
is imposed on the initially steady motion. The spectrum of disturbances results in uctuating velocities and pressures for both the liquid and the gas. In Equation 22.8-27, 0 is the initial wave amplitude, k = 2/ is the wave number, and = r + ii is the complex growth rate. The most unstable disturbance has the largest value of r , denoted here by , and is assumed to be responsible for sheet breakup. Thus, it is desired to obtain a dispersion relation = (k) from which the most unstable disturbance can be calculated as a function of wave number. Squire [352], Li and Tankin [205], and Hagerty and Shea [130] have shown that two solutions, or modes, exist that satisfy the governing equations subject to the boundary conditions at the upper and lower interfaces. The rst solution, called the sinuous mode, has waves at the upper and lower interfaces in phase. The second solution is called the varicose mode which has the waves at the upper and lower interfaces radians out of phase. It has been shown by numerous authors (e.g., Senecal et. al. [325]) that the
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sinuous mode dominates the growth of varicose waves for low velocities and low gas-toliquid density ratios. In addition, it can be shown that the sinuous and varicose modes become indistinguishable for high-velocity ows. As a result, the atomization model in FLUENT is based upon the growth of sinuous waves on the liquid sheet. As derived in Senecal et al. [325], the dispersion relation for the sinuous mode is given by 2 [tanh(kh) + Q] + [4l k 2 tanh(kh) + 2iQkU ] + 4l k 4 tanh(kh) 4l2 k 3 tanh( h) QU 2 k 2 + where Q = g /l and
2
k 3 =0 l
(22.8-28)
= k 2 + /l .
Above a critical Weber number of Weg = 27/16 (based on the liquid velocity, gas density, and sheet half-thickness), the fastest-growing waves are short. For Weg < 27/16, the wavelengths are long compared to the sheet thickness. The speed of modern high pressure fuel injection systems is high enough to ensure that the lm Weber number is well above this critical limit. An order-of-magnitude analysis using typical values shows that the terms of second order in viscosity can be neglected in comparison to the other terms in Equation 22.8-28. Using this assumption, Equation 22.8-28 reduces to 1 2l k 2 tanh(kh) + tanh(kh) + Q k 3 l

r =
4l2 k 4 tanh2 (kh) Q2 U 2 k 2 [tanh(kh) + Q] QU 2 k 2 +
(22.8-29)
For waves that are long compared with the sheet thickness, a mechanism of sheet disintegration proposed by Dombrowski and Johns [82] is adopted. For long waves, ligaments are assumed to form from the sheet breakup process once the unstable waves reach a critical amplitude. If the surface disturbance has reached a value of b at breakup, a breakup time, , can be evaluated: b = 0 e 1 b ln 0
(22.8-30)
where , the maximum growth rate, is found by numerically maximizing Equation 22.8-29 as a function of k. The maximum is found using a binary search that checks the sign of the derivative. The sheet breaks up and ligaments will be formed at a length given by
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Lb = U =
U b ln 0
(22.8-31)
b where the quantity ln( 0 ) is an empirical sheet constant that you must specify. The default value of 12 was obtained theoretically by Weber [391] for liquid jets. Dombrowski and Hooper [81] showed that a value of 12 for the sheet constant agreed favorably with experimental sheet breakup lengths over a range of Weber numbers from 2 to 200.
The diameter of the ligaments formed at the point of breakup can be obtained from a mass balance. If it is assumed that the ligaments are formed from tears in the sheet twice per wavelength, the resulting diameter is given by 8h Ks
dL =
(22.8-32)
where Ks is the wave number corresponding to the maximum growth rate, . The ligament diameter depends on the sheet thickness, which is a function of the breakup length. The lm thickness is calculated from the breakup length and the radial distance from the center line to the mid-line of the sheet at the atomizer exit, r0 : hend = r0 h0 r0 + Lb sin
2
(22.8-33)
This mechanism is not used for waves that are short compared to the sheet thickness. For short waves, the ligament diameter is assumed to be linearly proportional to the wavelength that breaks up the sheet, dL = 2CL Ks (22.8-34)
where CL , or the ligament constant, is equal to 0.5 by default. In either the long-wave or the short-wave case, the breakup from ligaments to droplets is assumed to behave according to Webers [391] analysis for capillary instability. d0 = 1.88dL (1 + 3Oh)1/6 (22.8-35)
Here, Oh is the Ohnesorge number which is a combination of the Reynolds number and the Weber number (see Section 22.7.2: Jet Stability Analysis for more details about Oh). Once d0 has been determined from Equation 22.8-35, it is assumed that this droplet diameter is the most probable droplet size of a Rosin-Rammler distribution with a spread parameter of 3.5 and a default dispersion angle of 6 (which can be modied in the GUI). The choice of spread parameter and dispersion angle is based on past modeling
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experience [323]. It is important to note that the spray cone angle must be specied by the user when using this model.
22.8.3
The Air-Blast/Air-Assist Atomizer Model
In order to accelerate the breakup of liquid sheets from an atomizer, an additional air stream is often directed through the atomizer. The liquid is formed into a sheet by a nozzle, and air is then directed against the sheet to promote atomization. This technique is called air-assisted atomization or air-blast atomization, depending on the quantity of air and its velocity. The addition of the external air stream past the sheet produces smaller droplets than without the air. Though the exact mechanism for this enhanced performance is not completely understood, it is thought that the assisting air may accelerate the sheet instability. The air may also help disperse the droplets, preventing collisions between them. Air-assisted atomization is used in many of the same applications as pressure-swirl atomization, where especially ne atomization is required. FLUENTs air-blast atomization model is a variation of the pressure-swirl model. One important dierence between them is that the sheet thickness is set directly in the airblast atomizer model. This input is necessary because of the variety of sheet formation mechanisms used in air-blast atomizers. Hence the air-blast atomizer model does not contain the sheet formation equations that were included in the pressure-swirl atomizer model (Equations 22.8-2322.8-26). You will also specify the maximum relative velocity that is produced by the sheet and air. Though this quantity could be calculated, specifying a value relieves you from the necessity of nely resolving the atomizer internal ow. This feature is convenient for simulations in large domains, where the atomizer is very small by comparison. An additional dierence is that the air-blast atomizer model assumes that the sheet breakup is always due to short waves. This assumption is a consequence of the greater sheet thickness commonly found in air-blast atomizers. Hence the ligament diameter is assumed to be linearly proportional to the wavelength of the fastest-growing wave on the sheet, and is calculated from Equation 22.8-34. Other inputs are similar to the pressure-swirl model the user must provide the mass ow rate and spray angle. The angle in the case of the air-blast atomizer is the initial trajectory of the lm as it leaves the end of the orice. The value of the angle is negative if the initial lm trajectory is inward, towards the centerline. Specication of the inner and outer diameters of the lm at the atomizer exit are also required, in addition to the dispersion angle whose default value is 6 (which can be modied in the GUI). Since the air-blast atomizer model does not include internal gas ows, the user must create the air streams surrounding the injector as boundary conditions within the FLUENT simulation. These streams are ordinary continuous-phase ows and require no special treatment.
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22.8.4
The Flat-Fan Atomizer Model
The at-fan atomizer is very similar to the pressure-swirl atomizer, but it makes a at sheet and does not use swirl. The liquid emerges from a wide, thin orice as a at liquid sheet that breaks up into droplets. The primary atomization process is thought to be similar to the pressure-swirl atomizer. Some researchers believe that at-fan atomization, because of jet impingement, is very similar to the atomization of a at sheet. The at-fan model could serve doubly for this application. The at-fan atomizer is available only for 3D models. An image of the three-dimensional at fan is shown in Figure 22.8.6. The model assumes that the fan originates from a virtual origin. You need to provide the location of this origin, which is the intersection of the lines that mark the sides of the fan as well as the location of the center point of the arc from which the fan originates. FLUENT will nd the vector that points from the origin to the center point in order to determine the direction of the injection. You also need to provide the half-angle of the fan arc, the width of the orice (in the normal direction) and the mass ow rate of the liquid to use the at-fan atomizer model.
dispersion angle half angle
dispersion angle
Figure 22.8.6: Flat Fan Viewed from Above and from the Side
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The breakup of the at fan is calculated very much like the breakup of the sheet in the pressure-swirl atomizer. The sheet breaks up into ligaments which then form individual droplets. The only dierence is that for short waves, the at fan sheet is assumed to form ligaments at half-wavelength intervals. Hence the ligament diameter for short waves is given by 16h Ks
dL =
(22.8-36)
In this case, dL in Equation 22.8-36 is taken to be the most probable diameter, with a Rosin-Rammler spread parameter of 3.5 and a default dispersion angle of 6 . This angle can be set in the Set Injection Properties panel. In all other respects, the at-fan atomizer model is like the sheet breakup portion of the pressure-swirl atomizer.
22.8.5
The Effervescent Atomizer Model
Eervescent atomization is the injection of liquid infused with a super-heated (with respect to downstream conditions) liquid or propellant. As the volatile liquid exits the nozzle, it rapidly changes phase. This phase change quickly breaks up the stream into small droplets with a wide dispersion angle. The model also applies to cases where a very hot liquid is discharged. Since the physics of eervescence is not well understood, the model must rely on rough empirical ts. The photographs of Reitz and Bracco [299] provide some insights. These photographs show a dense liquid core to the spray, surrounded by a wide shroud of smaller droplets. The initial velocity of the droplets is computed from conservation of mass, assuming the exiting jet has a cross-sectional area that is Cct times the nozzle area, where Cct is a xed constant, equal to 0.611 as specied in Equations 22.8-3 and 22.8-12. u= me l Cct A (22.8-37)
The maximum droplet diameter is set to the eective diameter of the exiting jet: dmax = d Cct (22.8-38)
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22.9 One-Way and Two-Way Coupling
The droplet size is then sampled from a Rosin-Rammler distribution with a spread parameter of 4.0. (See Section 22.12.1: Using the Rosin-Rammler Diameter Distribution Method for details on the Rosin-Rammler distribution.) The most probable droplet size depends on the angle, , between the droplets stochastic trajectory and the injection direction: d0 = dmax e(/s )
2
(22.8-39)
The dispersion angle multiplier, s , is computed from the quality, x, and the specied value for the dispersion constant, Ce :
x = s
mvapor (mvapor + mliquid ) x = Ce
(22.8-40) (22.8-41)
This technique creates a spray with large droplets in the central core and a shroud of smaller surrounding droplets. The droplet temperature is initialized to 0.99 times the saturation temperature, such that the temperature of the droplet is close to boiling. To complete the model, the ashing vapor must also be included in the calculation. This vapor is part of the continuous phase and not part of the discrete phase model. You must create an inlet at the point of injection when you specify boundary conditions for the continuous phase. When the eervescent atomizer model is selected, you will need to specify the nozzle diameter, mass ow rate, mixture quality, saturation temperature of the volatile substance, spray half-angle and dispersion constant in addition to specifying the position and direction of the injector.
22.9
One-Way and Two-Way Coupling
You can use FLUENT to predict the discrete phase patterns based on a xed continuous phase ow eld (an uncoupled approach or one-way coupling), or you can include the eect of the discrete phase on the continuum (a coupled approach or two-way coupling). In the coupled approach, the continuous phase ow pattern is impacted by the discrete phase (and vice versa), and you can alternate calculations of the continuous phase and discrete phase equations until a converged coupled solution is achieved. See Section 22.9.1: Coupling Between the Discrete and Continuous Phases for details. Using FLUENTs discrete phase modeling capability, reacting particles or droplets can be modeled and their impact on the continuous phase can be examined. Several heat and mass transfer relationships, termed laws, are available in FLUENT and the physical models employed in these laws are described in this section.
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22.9.1
Coupling Between the Discrete and Continuous Phases
As the trajectory of a particle is computed, FLUENT keeps track of the heat, mass, and momentum gained or lost by the particle stream that follows that trajectory and these quantities can be incorporated in the subsequent continuous phase calculations. Thus, while the continuous phase always impacts the discrete phase, you can also incorporate the eect of the discrete phase trajectories on the continuum. This two-way coupling is accomplished by alternately solving the discrete and continuous phase equations until the solutions in both phases have stopped changing. This interphase exchange of heat, mass, and momentum from the particle to the continuous phase is depicted qualitatively in Figure 22.9.1.
typical particle trajectory mass-exchange heat-exchange momentum-exchange
typical continuous phase control volume
Figure 22.9.1: Heat, Mass, and Momentum Transfer Between the Discrete and Continuous Phases
Momentum Exchange
The momentum transfer from the continuous phase to the discrete phase is computed in FLUENT by examining the change in momentum of a particle as it passes through each control volume in the FLUENT model. This momentum change is computed as 18CD Re (up u) + Fother mp t p d2 24 p
F =
(22.9-1)
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22.9 One-Way and Two-Way Coupling where p dp Re up u CD mp t Fother = = = = = = = = = = viscosity of the uid density of the particle diameter of the particle relative Reynolds number velocity of the particle velocity of the uid drag coecient mass ow rate of the particles time step other interaction forces
This momentum exchange appears as a momentum sink in the continuous phase momentum balance in any subsequent calculations of the continuous phase ow eld and can be reported by FLUENT as described in Section 22.16: Postprocessing for the Discrete Phase.
Heat Exchange
The heat transfer from the continuous phase to the discrete phase is computed in FLUENT by examining the change in thermal energy of a particle as it passes through each control volume in the FLUENT model. In the absence of a chemical reaction (i.e., for all particle laws except Law 5) the heat exchange is computed as
Q = (mp in mp out )[Hlatref + Hpyrol ] mp out where mp in mp out cp p Hpyrol Tp in Tp out Tref Hlatref = = = = = = = =
Tp out Tref
cp p dT + mp in
Tp in Tref
cp p dT (22.9-2)
mass of the particle on cell entry (kg) mass of the particle on cell exit (kg) heat capacity of the particle (J/kg-K) heat of pyrolysis as volatiles are evolved (J/kg) temperature of the particle on cell entry (K) temperature of the particle on cell exit (K) reference temperature for enthalpy (K) latent heat at reference conditions (J/kg)
The latent heat at the reference conditions Hlatref for droplet particles is computed as the dierence of the liquid and gas standard formation enthalpies, and can be related to the latent heat at the boiling point as follows: Hlatref = Hlat
Tbp Tref Tbp
cp g dT +
Tref
cp p dT
(22.9-3)
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Modeling Discrete Phase where cp g Tbp Hlat = = = heat capacity of gas product species (J/kg-K) boiling point temperature (K) latent heat at the boiling point temperature (J/kg)
For the volatile part of the combusting particles, some constraints are applied to ensure that the enthalpy source terms do not depend on the particle history. The formulation should be consistent with the mixing of two gas streams, one consisting of the uid and the other consisting of the volatiles. Hence Hlatref is derived by applying a correction to Hlat , which accounts for dierent heat capacities in the particle and gaseous phase: Hlatref = Hlat where Tp,init = particle initial temperature (K)
Tp,init Tref Tp,init
cp g dT +
Tref
cp p dT
(22.9-4)
Mass Exchange
The mass transfer from the discrete phase to the continuous phase is computed in FLUENT by examining the change in mass of a particle as it passes through each control volume in the FLUENT model. The mass change is computed simply as M= mp mp,0 mp,0 (22.9-5)
This mass exchange appears as a source of mass in the continuous phase continuity equation and as a source of a chemical species dened by you. The mass sources are included in any subsequent calculations of the continuous phase ow eld and are reported by FLUENT as described in Section 22.16: Postprocessing for the Discrete Phase.
Under-Relaxation of the Interphase Exchange Terms

Note that the interphase exchange of momentum, heat, and mass is under-relaxed during the calculation, so that Fnew = Fold + (Fcalculated Fold ) Qnew = Qold + (Qcalculated Qold ) Mnew = Mold + (Mcalculated Mold ) (22.9-6)
(22.9-7)
(22.9-8)
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where is the under-relaxation factor for particles/droplets that you can set in the Solution Controls panel. The default value for is 0.5. This value may be reduced to improve the stability of coupled calculations. Note that the value of does not inuence the predictions obtained in the nal converged solution. Two options exist when updating the new particle source terms Fnew , Qnew and Mnew . The rst option is to compute the new source terms and the particle source terms, Fcalculated , Qcalculated and Mcalculated , at the same time. The second option is to update the new source terms, Fnew , Qnew and Mnew , every ow iteration, while the particle source terms, Fcalculated , Qcalculated and Mcalculated , are calculated every Discrete Phase Model iteration. The latter option is recommended for transient ows, where the particles are updated once per ow time step.
Interphase Exchange During Stochastic Tracking

When stochastic tracking is performed, the interphase exchange terms, computed via Equations 22.9-1 to 22.9-8, are computed for each stochastic trajectory with the particle mass ow rate, mp0 , divided by the number of stochastic tracks computed. This implies that an equal mass ow of particles follows each stochastic trajectory.
Interphase Exchange During Cloud Tracking

When the particle cloud model is used, the interphase exchange terms are computed via Equations 22.9-1 to 22.9-8 based on ensemble-averaged ow properties in the particle cloud. The exchange terms are then distributed to all the cells in the cloud based on the weighting factor dened in Equation 22.2-55.
22.9.2
Particle Types in FLUENT
The laws that you activate depend upon the particle type that you select. In the Set Injection Properties panel you will specify the Particle Type, and FLUENT will use a given set of heat and mass transfer laws for the chosen type. All particle types have predened sequences of physical laws as shown in the table below:
Particle Type Inert Droplet Combusting
Multicomponent
Description inert/heating or cooling heating/evaporation/boiling heating; evolution of volatiles/swelling; heterogeneous surface reaction multicomponent droplets/particles
Laws Activated 1, 6 1, 2, 3, 6 1, 4, 5, 6
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In addition to the above laws, you can dene your own laws using a user-dened function. See the separate UDF Manual for information about user-dened functions. You can also extend combusting particles to include an evaporating/boiling material by selecting Wet Combustion in the Set Injection Properties panel. FLUENTs physical laws (Laws 1 through 6), which describe the heat and mass transfer conditions listed in this table, are explained in detail in the sections that follow.
Inert Heating or Cooling (Law 1/Law 6)

The inert heating or cooling laws (Laws 1 and 6) are applied when the particle temperature is less than the vaporization temperature that you dene, Tvap , and after the volatile fraction, fv,0 , of a particle has been consumed. These conditions may be written as Law 1: Tp < Tvap Law 6: mp (1 fv,0 )mp,0 (22.9-10) (22.9-9)
where Tp is the particle temperature, mp,0 is the initial mass of the particle, and mp is its current mass. Law 1 is applied until the temperature of the particle/droplet reaches the vaporization temperature. At this point a noninert particle/droplet may proceed to obey one of the mass-transfer laws (2, 3, 4, and/or 5), returning to Law 6 when the volatile portion of the particle/droplet has been consumed. (Note that the vaporization temperature, Tvap , is an arbitrary modeling constant used to dene the onset of the vaporization/boiling/volatilization laws.) When using Law 1 or Law 6, FLUENT uses a simple heat balance to relate the particle temperature, Tp (t), to the convective heat transfer and the absorption/emission of radiation at the particle surface: m p cp where mp cp Ap T h
p
dTp = hAp (T Tp ) + dt
4 p Ap (R
4 Tp )
(22.9-11)
= = = = = = = =
mass of the particle (kg) heat capacity of the particle (J/kg-K) surface area of the particle (m2 ) local temperature of the continuous phase (K) convective heat transfer coecient (W/m2 -K) particle emissivity (dimensionless) Stefan-Boltzmann constant (5.67 x 108 W/m2 -K4 ) G radiation temperature, ( 4 )1/4
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Equation 22.9-11 assumes that there is negligible internal resistance to heat transfer, i.e., the particle is at uniform temperature throughout. G is the incident radiation in W/m2 : G=
=4
Id
(22.9-12)
where I is the radiation intensity and is the solid angle. Radiation heat transfer to the particle is included only if you have enabled the P-1 or discrete ordinates radiation model and you have activated radiation heat transfer to particles using the Particle Radiation Interaction option in the Discrete Phase Model panel. Equation 22.9-11 is integrated in time using an approximate, linearized form that assumes that the particle temperature changes slowly from one time value to the next: mp cp dTp = Ap h + dt
3 p Tp
Tp + hT +
4 p R
(22.9-13)
As the particle trajectory is computed, FLUENT integrates Equation 22.9-13 to obtain the particle temperature at the next time value, yielding Tp (t + t) = p + [Tp (t) p ]ep t where t is the integration time step and p = and
3 Ap (h + p Tp (t)) p = m p cp 4 hT + p R 3 h + p Tp (t)
(22.9-14)
(22.9-15)
(22.9-16)
FLUENT can also solve Equation 22.9-13 in conjunction with the equivalent mass transfer equation using a sti coupled solver. See Section 22.11.7: Including Coupled Heat-Mass Solution Eects on the Particles for details. The heat transfer coecient, h, is evaluated using the correlation of Ranz and Marshall [295, 296]: Nu = hdp 1/2 = 2.0 + 0.6Red Pr1/3 k (22.9-17)
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where dp k Red Pr = particle diameter (m) = thermal conductivity of the continuous phase (W/m-K) = Reynolds number based on the particle diameter and the relative velocity (Equation 22.2-3) = Prandtl number of the continuous phase (cp /k )
Finally, the heat lost or gained by the particle as it traverses each computational cell appears as a source or sink of heat in subsequent calculations of the continuous phase energy equation. During Laws 1 and 6, particles/droplets do not exchange mass with the continuous phase and do not participate in any chemical reaction.
Droplet Vaporization (Law 2)

Law 2 is applied to predict the vaporization from a discrete phase droplet. Law 2 is initiated when the temperature of the droplet reaches the vaporization temperature, Tvap , and continues until the droplet reaches the boiling point, Tbp , or until the droplets volatile fraction is completely consumed: Tp < Tbp (22.9-18)
mp > (1 fv,0 )mp,0
(22.9-19)
The onset of the vaporization law is determined by the setting of Tvap , a modeling parameter that has no physical signicance. Note that once vaporization is initiated (by the droplet reaching this threshold temperature), it will continue to vaporize even if the droplet temperature falls below Tvap . Vaporization will be halted only if the droplet temperature falls below the dew point. In such cases, the droplet will remain in Law 2 but no evaporation will be predicted. When the boiling point is reached, the droplet vaporization is predicted by a boiling rate, Law 3, as described in a section that follows. Mass Transfer During Law 2 During Law 2, the rate of vaporization is governed by gradient diusion, with the ux of droplet vapor into the gas phase related to the gradient of the vapor concentration between the droplet surface and the bulk gas: Ni = kc (Ci,s Ci, ) (22.9-20)
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where Ni kc Ci,s Ci, = molar ux of vapor (kgmol/m2 -s) = mass transfer coecient (m/s) = vapor concentration at the droplet surface (kgmol/m3 ) = vapor concentration in the bulk gas (kgmol/m3 )
Note that FLUENTs vaporization law assumes that Ni is positive (evaporation). If conditions exist in which Ni is negative (i.e., the droplet temperature falls below the dew point and condensation conditions exist), FLUENT treats the droplet as inert (Ni = 0.0). The concentration of vapor at the droplet surface is evaluated by assuming that the partial pressure of vapor at the interface is equal to the saturated vapor pressure, psat , at the particle droplet temperature, Tp : Ci,s = where R is the universal gas constant. The concentration of vapor in the bulk gas is known from solution of the transport equation for species i or from the PDF look-up table for nonpremixed or partially premixed combustion calculations: Ci, = Xi p RT (22.9-22) psat (Tp ) RTp (22.9-21)
where Xi is the local bulk mole fraction of species i, p is the local absolute pressure, and T is the local bulk temperature in the gas. The mass transfer coecient in Equation 22.9-20 is calculated from the Sherwood number correlation [295, 296]: ShAB = where Di,m Sc dp kc dp 1/2 = 2.0 + 0.6Red Sc1/3 Di,m (22.9-23)
= diusion coecient of vapor in the bulk (m2 /s) = the Schmidt number, D i,m = particle (droplet) diameter (m)
The vapor ux given by Equation 22.9-20 becomes a source of species i in the gas phase species transport equation, (see Section 22.14: Setting Material Properties for the Discrete Phase) or from the PDF look-up table for nonpremixed combustion calculations. The mass of the droplet is reduced according to mp (t + t) = mp (t) Ni Ap Mw,i t (22.9-24)
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Modeling Discrete Phase where Mw,i mp Ap = molecular weight of species i (kg/kgmol) = mass of the droplet (kg) = surface area of the droplet (m2 )
FLUENT can also solve Equation 22.9-24 in conjunction with the equivalent heat transfer equation using a sti coupled solver. See Section 22.11.7: Including Coupled Heat-Mass Solution Eects on the Particles for details. Dening the Vapor Pressure and Diffusion Coefcient You must dene the vapor pressure as a polynomial or piecewise linear function of temperature (psat (T )) during the problem denition. Note that the vapor pressure denition is critical, as psat is used to obtain the driving force for the evaporation process (Equations 22.9-20 and 22.9-21). You should provide accurate vapor pressure values for temperatures over the entire range of possible droplet temperatures in your problem. Vapor pressure data can be obtained from a physics or engineering handbook (e.g., [278]). You must also input the diusion coecient, Di,m , during the setup of the discrete phase material properties. Note that the diusion coecient inputs that you supply for the continuous phase are not used in the discrete phase model. Heat Transfer to the Droplet Finally, the droplet temperature is updated according to a heat balance that relates the sensible heat change in the droplet to the convective and latent heat transfer between the droplet and the continuous phase: mp cp where cp Tp h T hfg
p
dTp dmp = hAp (T Tp ) + hfg + Ap p (R 4 Tp 4 ) dt dt
(22.9-25)
dmp dt
= = = = = = = = =
droplet heat capacity (J/kg-K) droplet temperature (K) convective heat transfer coecient (W/m2 -K) temperature of continuous phase (K) rate of evaporation (kg/s) latent heat (J/kg) particle emissivity (dimensionless) Stefan-Boltzmann constant (5.67 x 108 W/m2 -K4 ) I radiation temperature, ( 4 )1/4 , where I is the radiation intensity
Radiation heat transfer to the particle is included only if you have enabled the P-1 or discrete ordinates radiation model and you have activated radiation heat transfer to particles using the Particle Radiation Interaction option in the Discrete Phase Model panel. The heat transferred to or from the gas phase becomes a source/sink of energy during subsequent calculations of the continuous phase energy equation.
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Droplet Boiling (Law 3)

Law 3 is applied to predict the convective boiling of a discrete phase droplet when the temperature of the droplet has reached the boiling temperature, Tbp , and while the mass of the droplet exceeds the nonvolatile fraction, (1 fv,0 ): Tp Tbp and mp > (1 fv,0 )mp,0 (22.9-27) (22.9-26)
When the droplet temperature reaches the boiling point, a boiling rate equation is applied [187]: d(dp ) 4k cp, (T Tp ) = (1 + 0.23 Red ) ln 1 + dt p cp, dp hfg where cp, p k = heat capacity of the gas (J/kg-K) = droplet density (kg/m3 ) = thermal conductivity of the gas (W/m-K)
(22.9-28)
Equation 22.9-28 was derived assuming steady ow at constant pressure. Note that the model requires T > Tbp in order for boiling to occur and that the droplet remains at xed temperature (Tbp ) throughout the boiling law. When radiation heat transfer is active, FLUENT uses a slight modication of Equation 22.9-28, derived by starting from Equation 22.9-25 and assuming that the droplet temperature is constant. This yields or d(dp ) 2 k Nu = (T Tp ) + dt p hfg dp
4 p (R 4 Tp )
dmp hfg = hAp (T Tp ) + Ap p (R 4 Tp 4 ) dt
(22.9-29)
(22.9-30)
Using Equation 22.9-17 for the Nusselt number correlation and replacing the Prandtl number term with an empirical constant, Equation 22.9-30 becomes d(dp ) 2 2k [1 + 0.23 Red ] = (T Tp ) + dt p hfg dp
4 p (R 4 Tp )
(22.9-31)
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In the absence of radiation, this result matches that of Equation 22.9-28 in the limit that the argument of the logarithm is close to unity. FLUENT uses Equation 22.9-31 when radiation is active in your model and Equation 22.9-28 when radiation is not active. Radiation heat transfer to the particle is included only if you have enabled the P-1 or discrete ordinates radiation model and you have activated radiation heat transfer to particles using the Particle Radiation Interaction option in the Discrete Phase Model panel. The droplet is assumed to stay at constant temperature while the boiling rate is applied. Once the boiling law is entered it is applied for the duration of the particle trajectory. The energy required for vaporization appears as a (negative) source term in the energy equation for the gas phase. The evaporated liquid enters the gas phase as species i, as dened by your input for the destination species (see Section 22.14: Setting Material Properties for the Discrete Phase).
Devolatilization (Law 4)
The devolatilization law is applied to a combusting particle when the temperature of the particle reaches the vaporization temperature, Tvap , and remains in eect while the mass of the particle, mp , exceeds the mass of the nonvolatiles in the particle: Tp Tvap and Tp Tbp and mp > (1 fv,0 )(1 fw,0 )mp,0 (22.9-33) (22.9-32)
where fw,0 is the mass fraction of the evaporating/boiling material if Wet Combustion is selected (otherwise, fw,0 = 0). As implied by Equation 22.9-32, the boiling point, Tbp , and the vaporization temperature, Tvap , should be set equal to each other when Law 4 is to be used. When wet combustion is active, Tbp and Tvap refer to the boiling and evaporation temperatures for the combusting material only. FLUENT provides a choice of four devolatilization models: the constant rate model (the default model) the single kinetic rate model the two competing rates model (the Kobayashi model) the chemical percolation devolatilization (CPD) model Each of these models is described, in turn, below.
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Choosing the Devolatilization Model You will choose the devolatilization model when you are setting physical properties for the combusting-particle material in the Materials panel, as described in Section 22.14.2: Description of the Properties. By default, the constant rate model (Equation 22.9-34) will be used. The Constant Rate Devolatilization Model The constant rate devolatilization law dictates that volatiles are released at a constant rate [26]: where mp fv,0 mp,0 A0 1 dmp = A0 fv,0 (1 fw,0 )mp,0 dt (22.9-34)
= particle mass (kg) = fraction of volatiles initially present in the particle = initial particle mass (kg) = rate constant (s1 )
The rate constant A0 is dened as part of your modeling inputs, with a default value of 12 s1 derived from the work of Pillai [283] on coal combustion. Proper use of the constant devolatilization rate requires that the vaporization temperature, which controls the onset of devolatilization, be set appropriately. Values in the literature show this temperature to be about 600 K [26]. The volatile fraction of the particle enters the gas phase as the devolatilizing species i, dened by you (see Section 22.14: Setting Material Properties for the Discrete Phase). Once in the gas phase, the volatiles may react according to the inputs governing the gas phase chemistry. The Single Kinetic Rate Model The single kinetic rate devolatilization model assumes that the rate of devolatilization is rst-order dependent on the amount of volatiles remaining in the particle [16]: where mp fv,0 fw,0 mp,0 k dmp = k[mp (1 fv,0 )(1 fw,0 )mp,0 ] dt (22.9-35)
= particle mass (kg) = mass fraction of volatiles initially present in the particle = mass fraction of evaporating/boiling material (if wet combustion is modeled) = initial particle mass (kg) = kinetic rate (s1 )
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Note that fv,0 , the fraction of volatiles in the particle, should be dened using a value slightly in excess of that determined by proximate analysis. The kinetic rate, k, is dened by input of an Arrhenius type pre-exponential factor and an activation energy: k = A1 e(E/RT ) FLUENT uses default rate constants, A1 and E, as given in [16]. Equation 22.9-35 has the approximate analytical solution: (22.9-36)
mp (t + t) = (1 fv,0 )(1 fw,0 )mp,0 + [mp (t) (1 fv,0 )(1 fw,0 )mp,0 ]ekt (22.9-37) which is obtained by assuming that the particle temperature varies only slightly between discrete time integration steps. FLUENT can also solve Equation 22.9-37 in conjunction with the equivalent heat transfer equation using a sti coupled solver. See Section 22.11.7: Including Coupled Heat-Mass Solution Eects on the Particles for details. The Two Competing Rates (Kobayashi) Model FLUENT also provides the kinetic devolatilization rate expressions of the form proposed by Kobayashi [184]: R1 = A1 e(E1 /RTp ) R2 = A2 e(E2 /RTp ) (22.9-38)
(22.9-39)
where R1 and R2 are competing rates that may control the devolatilization over dierent temperature ranges. The two kinetic rates are weighted to yield an expression for the devolatilization as mv (t) = (1 fw,0 )mp,0 ma where mv (t) mp,0 1 , 2 ma = = = =
t 0 t
(1 R1 + 2 R2 ) exp
(R1 + R2 ) dt dt
(22.9-40)
volatile yield up to time t initial particle mass at injection yield factors ash content in the particle
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The Kobayashi model requires input of the kinetic rate parameters, A1 , E1 , A2 , and E2 , and the yields of the two competing reactions, 1 and 2 . FLUENT uses default values for the yield factors of 0.3 for the rst (slow) reaction and 1.0 for the second (fast) reaction. It is recommended in the literature [184] that 1 be set to the fraction of volatiles determined by proximate analysis, since this rate represents devolatilization at low temperature. The second yield parameter, 2 , should be set close to unity, which is the yield of volatiles at very high temperature. By default, Equation 22.9-40 is integrated in time analytically, assuming the particle temperature to be constant over the discrete time integration step. FLUENT can also solve Equation 22.9-40 in conjunction with the equivalent heat transfer equation using a sti coupled solver. See Section 22.11.7: Including Coupled Heat-Mass Solution Eects on the Particles for details. The CPD Model In contrast to the coal devolatilization models presented above, which are based on empirical rate relationships, the chemical percolation devolatilization (CPD) model characterizes the devolatilization behavior of rapidly heated coal based on the physical and chemical transformations of the coal structure [108, 109, 126]. General Description During coal pyrolysis, the labile bonds between the aromatic clusters in the coal structure lattice are cleaved, resulting in two general classes of fragments. One set of fragments has a low molecular weight (and correspondingly high vapor pressure) and escapes from the coal particle as a light gas. The other set of fragments consists of tar gas precursors that have a relatively high molecular weight (and correspondingly low vapor pressure) and tend to remain in the coal for a long period of time during typical devolatilization conditions. During this time, reattachment with the coal lattice (which is referred to as crosslinking) can occur. The high molecular weight compounds plus the residual lattice are referred to as metaplast. The softening behavior of a coal particle is determined by the quantity and nature of the metaplast generated during devolatilization. The portion of the lattice structure that remains after devolatilization is comprised of char and mineral-compound-based ash. The CPD model characterizes the chemical and physical processes by considering the coal structure as a simplied lattice or network of chemical bridges that link the aromatic clusters. Modeling the cleavage of the bridges and the generation of light gas, char, and tar precursors is then considered to be analogous to the chemical reaction scheme shown in Figure 22.9.2. The variable represents the original population of labile bridges in the coal lattice. Upon heating, these bridges become the set of reactive bridges, . For the reactive bridges, two competing paths are available. In one path, the bridges react to form side
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Figure 22.9.2: Coal Bridge
chains, . The side chains may detach from the aromatic clusters to form light gas, g1 . As bridges between neighboring aromatic clusters are cleaved, a certain fraction of the coal becomes detached from the coal lattice. These detached aromatic clusters are the heavy-molecular-weight tar precursors that form the metaplast. The metaplast vaporizes to form coal tar. While waiting for vaporization, the metaplast can also reattach to the coal lattice matrix (crosslinking). In the other path, the bridges react and become a char bridge, c, with the release of an associated light gas product, g2 . The total population of bridges in the coal lattice matrix can be represented by the variable p, where p = + c. Reaction Rates Given this set of variables that characterizes the coal lattice structure during devolatilization, the following set of reaction rate expressions can be dened for each, starting with the assumption that the reactive bridges are destroyed at the same rate at which they are created ( = 0): t d dt dc dt d dt dg1 dt dg2 dt
= kb = kb = +1 kg +1
(22.9-41) (22.9-42) (22.9-43) (22.9-44) (22.9-45)
2kb
= kg = 2 dc dt
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where the rate constants for bridge breaking and gas release steps, kb and kg , are expressed in Arrhenius form with a distributed activation energy: k = Ae(EE )/RT (22.9-46)
where A, E, and E are, respectively, the pre-exponential factor, the activation energy, and the distributed variation in the activation energy, R is the universal gas constant, and T is the temperature. The ratio of rate constants, = k /kc , is set to 0.9 in this model based on experimental data. Mass Conservation The following mass conservation relationships are imposed:
g = g1 + g2 g1 = 2f g2 = 2(c c0 )
(22.9-47) (22.9-48) (22.9-49)
where f is the fraction of broken bridges (f = 1 p). The initial conditions for this system are given by the following:
c(0) (0) (0) g(0)
= = = =
c0 0 = p 0 c 0 2f0 = 2(1 c0 0 ) g1 (0) = g2 (0) = 0
(22.9-50) (22.9-51) (22.9-52) (22.9-53)
where c0 is the initial fraction of char bridges, p0 is the initial fraction of bridges in the coal lattice, and 0 is the initial fraction of labile bridges in the coal lattice.
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Fractional Change in the Coal Mass Given the set of reaction equations for the coal structure parameters, it is necessary to relate these quantities to changes in coal mass and the related release of volatile products. To accomplish this, the fractional change in the coal mass as a function of time is divided into three parts: light gas (fgas ), tar precursor fragments (ffrag ), and char (fchar ). This is accomplished by using the following relationships, which are obtained using percolation lattice statistics:
r(g1 + g2 )( + 1) 4 + 2r(1 c0 )( + 1) 2 ffrag (t) = [F (p) + rK(p)] 2 + r(1 c0 )( + 1) fchar (t) = 1 fgas (t) ffrag (t) fgas (t) =
(22.9-54) (22.9-55) (22.9-56)
The variables , , F (p), and K(p) are the statistical relationships related to the cleaving of bridges based on the percolation lattice statistics, and are given by the following equations:
= 1+r
( 1) + p 4(1 p) = 2(1 p) p p p
+1 1
(22.9-57) (22.9-58) (22.9-59)
F (p) = K(p) =
+1 1 p 2
p p
+1 1
(22.9-60)
r is the ratio of bridge mass to site mass, mb /ma , where
mb = 2Mw, ma = Mw,1 ( + 1)Mw,
(22.9-61) (22.9-62)
22-80
where Mw, and Mw,1 are the side chain and cluster molecular weights respectively. + 1 is the lattice coordination number, which is determined from solid-state nuclear magnetic esonance (NMR) measurements related to coal structure parameters, and p is the root of the following equation in p (the total number of bridges in the coal lattice matrix): p (1 p )1 = p(1 p)1 (22.9-63)
In accounting for mass in the metaplast (tar precursor fragments), the part that vaporizes is treated in a manner similar to ash vaporization, where it is assumed that the nite fragments undergo vapor/liquid phase equilibration on a time scale that is rapid with respect to the bridge reactions. As an estimate of the vapor/liquid that is present at any time, a vapor pressure correlation based on a simple form of Raoults Law is used. The vapor pressure treatment is largely responsible for predicting pressure-dependent devolatilization yields. For the part of the metaplast that reattaches to the coal lattice, a cross-linking rate expression given by the following equation is used: dmcross = mfrag Across e(Ecross /RT ) dt (22.9-64)
where mcross is the amount of mass reattaching to the matrix, mfrag is the amount of mass in the tar precursor fragments (metaplast), and Across and Ecross are rate expression constants. CPD Inputs Given the set of equations and corresponding rate constants introduced for the CPD model, the number of constants that must be dened to use the model is a primary concern. For the relationships dened previously, it can be shown that the following parameters are coal independent [108]: Ab , Eb , Eb , Ag , Eg , and Eg for the rate constants kb and kg Across , Ecross , and These constants are included in the submodel formulation and are not input or modied during problem setup.
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There are an additional ve parameters that are coal-specic and must be specied during the problem setup: initial fraction of bridges in the coal lattice, p0 initial fraction of char bridges, c0 lattice coordination number, + 1 cluster molecular weight, Mw,1 side chain molecular weight, Mw, The rst four of these are coal structure quantities that are obtained from NMR experimental data. The last quantity, representing the char bridges that either exist in the parent coal or are formed very early in the devolatilization process, is estimated based on the coal rank. These quantities are entered in the Materials panel as described in Section 22.14.2: Description of the Properties. Values for the coal-dependent parameters for a variety of coals are listed in Table 22.9.1. Table 22.9.1: Chemical Structure Parameters for Coal Type Zap (AR) Wyodak (AR) Utah (AR) Ill6 (AR) Pitt8 (AR) Stockton (AR) Freeport (AR) Pocahontas (AR) Blue (Sandia) Rose (AFR) 1443 (lignite, ACERC) 1488 (subbituminous, ACERC) 1468 (anthracite, ACERC) +1 3.9 5.6 5.1 5.0 4.5 4.8 5.3 4.4 5.0 5.8 4.8 4.7 4.7 p0 .63 .55 .49 .63 .62 .69 .67 .74 .42 .57 .59 .54 .89
13
C NMR for 13 Coals Mw, 40 42 36 27 24 20 17 14 47 48 36 37 12 c0 .20 .14 0 0 0 0 0 .20 .15 .10 .20 .15 .25
Mw,1 277 410 359 316 294 275 302 299 410 459 297 310 656
AR refers to eight types of coal from the Argonne premium sample bank [346, 386]. Sandia refers to the coal examined at Sandia National Laboratories [107]. AFR refers to coal examined at Advanced Fuel Research. ACERC refers to three types of coal examined at the Advanced Combustion Engineering Research Center.
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Particle Swelling During Devolatilization The particle diameter changes during devolatilization according to the swelling coecient, Csw , which is dened by you and applied in the following relationship: dp (1 fw,0 )mp,0 mp = 1 + (Csw 1) dp,0 fv,0 (1 fw,0 )mp,0 where dp,0 dp = = particle diameter at the start of devolatilization current particle diameter (22.9-65)
w,0 )mp,0 m The term (1f(1fw,0 )mp,0p is the ratio of the mass that has been devolatilized to the total fv,0 volatile mass of the particle. This quantity approaches a value of 1.0 as the devolatilization law is applied. When the swelling coecient is equal to 1.0, the particle diameter stays constant. When the swelling coecient is equal to 2.0, the nal particle diameter doubles when all of the volatile component has vaporized, and when the swelling coecient is equal to 0.5 the nal particle diameter is half of its initial diameter.
Heat Transfer to the Particle During Devolatilization Heat transfer to the particle during the devolatilization process includes contributions from convection, radiation (if active), and the heat consumed during devolatilization: mp cp dmp dTp = hAp (T Tp ) + hfg + Ap p (R 4 Tp 4 ) dt dt (22.9-66)
Radiation heat transfer to the particle is included only if you have enabled the P-1 or discrete ordinates radiation model and you have activated radiation heat transfer to particles using the Particle Radiation Interaction option in the Discrete Phase Model panel. By default, Equation 22.9-66 is solved analytically, by assuming that the temperature and mass of the particle do not change signicantly between time steps: Tp (t + t) = p + [Tp (t) p ]ep t where hAp T + dmp hfg + Ap p R 4 dt p = hAp + p Ap Tp 3 and Ap (h + p Tp 3 ) p = m p cp (22.9-67)
(22.9-68)
(22.9-69)
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FLUENT can also solve Equation 22.9-66 in conjunction with the equivalent mass transfer equation using a sti coupled solver. See Section 22.11.7: Including Coupled Heat-Mass Solution Eects on the Particles for details.
Surface Combustion (Law 5)

After the volatile component of the particle is completely evolved, a surface reaction begins which consumes the combustible fraction, fcomb , of the particle. Law 5 is thus active (for a combusting particle) after the volatiles are evolved: mp < (1 fv,0 )(1 fw,0 )mp,0 and until the combustible fraction is consumed: mp > (1 fv,0 fcomb )(1 fw,0 )mp,0 (22.9-71) (22.9-70)
When the combustible fraction, fcomb , has been consumed in Law 5, the combusting particle may contain residual ash that reverts to the inert heating law, Law 6 (described previously). With the exception of the multiple surface reactions model, the surface combustion law consumes the reactive content of the particle as governed by the stoichiometric requirement, Sb , of the surface burnout reaction: char(s) + Sb ox(g) products(g) (22.9-72)
where Sb is dened in terms of mass of oxidant per mass of char, and the oxidant and product species are dened in the Set Injection Properties panel. FLUENT provides a choice of four heterogeneous surface reaction rate models for combusting particles: the diusion-limited rate model (the default model) the kinetics/diusion-limited rate model the intrinsic model the multiple surface reactions model Each of these models is described in detail below. You will choose the surface combustion model when you are setting physical properties for the combusting-particle material in the Materials panel, as described in Section 22.14.2: Description of the Properties. By default, the diusion-limited rate model will be used.
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The Diffusion-Limited Surface Reaction Rate Model The diusion-limited surface reaction rate model which is the default model in FLUENT, assumes that the surface reaction proceeds at a rate determined by the diusion of the gaseous oxidant to the surface of the particle: dmp Yox T = 4dp Di,m dt Sb (Tp + T ) where Di,m Yox Sb = diusion coecient for oxidant in the bulk (m2 /s) = local mass fraction of oxidant in the gas = gas density (kg/m3 ) = stoichiometry of Equation 22.9-72 (22.9-73)
Equation 22.9-73 is derived from the model of Baum and Street [26] with the kinetic contribution to the surface reaction rate ignored. The diusion-limited rate model assumes that the diameter of the particles does not change. Since the mass of the particles is decreasing, the eective density decreases, and the char particles become more porous. The Kinetic/Diffusion Surface Reaction Rate Model The kinetic/diusion-limited rate model assumes that the surface reaction rate is determined either by kinetics or by a diusion rate. FLUENT uses the model of Baum and Street [26] and Field [104], in which a diusion rate coecient [(Tp + T )/2]0.75 D0 = C1 dp and a kinetic rate R = C2 e(E/RTp ) are weighted to yield a char combustion rate of dmp D0 R = Ap pox dt D0 + R (22.9-76) (22.9-75)
(22.9-74)
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Modeling Discrete Phase where Ap is the surface area of the droplet (d2 ), pox is the partial pressure of oxidant p species in the gas surrounding the combusting particle, and the kinetic rate, R, incorporates the eects of chemical reaction on the internal surface of the char particle (intrinsic reaction) and pore diusion. In FLUENT, Equation 22.9-76 is recast in terms of the oxidant mass fraction, Yox , as RT Yox D0 R dmp = Ap dt Mw,ox D0 + R (22.9-77)
The particle size is assumed to remain constant in this model while the density is allowed to decrease. When this model is enabled, the rate constants used in Equations 22.9-74 and 22.9-75 are entered in the Materials panel, as described in Section 22.14: Setting Material Properties for the Discrete Phase. The Intrinsic Model The intrinsic model in FLUENT is based on Smiths model [341], assuming the order of reaction is equal to unity. Like the kinetic/diusion model, the intrinsic model assumes that the surface reaction rate includes the eects of both bulk diusion and chemical reaction (see Equation 22.9-77). The intrinsic model uses Equation 22.9-74 to compute the diusion rate coecient, D0 , but the chemical rate, R, is explicitly expressed in terms of the intrinsic chemical and pore diusion rates: R= dp p Ag k i 6 (22.9-78)
is the eectiveness factor, or the ratio of the actual combustion rate to the rate attainable if no pore diusion resistance existed [197]: = where is the Thiele modulus: dp Sb p Ag ki pox = 2 De ox
1/2
3 ( coth 1) 2
(22.9-79)
(22.9-80)
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22.9 One-Way and Two-Way Coupling ox is the density of oxidant in the bulk gas (kg/m3 ) and De is the eective diusion coecient in the particle pores. Assuming that the pore size distribution is unimodal and the bulk and Knudsen diusion proceed in parallel, De is given by De = 1 1 + 2 D D0 Kn
1
(22.9-81)
where D0 is the bulk molecular diusion coecient and is the porosity of the char particle: =1 p t (22.9-82)
p and t are, respectively, the apparent and true densities of the pyrolysis char. (in Equation 22.9-81) is the tortuosity of the pores. The default value for in FLUENT is 2, which corresponds to an average intersecting angle between the pores and the external surface of 45 [197]. DKn is the Knudsen diusion coecient: DKn = 97.0rp Tp Mw,ox (22.9-83)
where Tp is the particle temperature and rp is the mean pore radius of the char particle, which can be measured by mercury porosimetry. Note that macropores (rp > 150 ) dominate in low-rank chars while micropores (rp < 10 ) dominate in high-rank A A chars [197]. Ag (in Equations 22.9-78 and 22.9-80) is the specic internal surface area of the char particle, which is assumed in this model to remain constant during char combustion. Internal surface area data for various pyrolysis chars can be found in [340]. The mean value of the internal surface area during char combustion is higher than that of the pyrolysis char [197]. For example, an estimated mean value for bituminous chars is 300 m2 /g [52]. ki (in Equations 22.9-78 and 22.9-80) is the intrinsic reactivity, which is of Arrhenius form: ki = Ai e(Ei /RTp ) (22.9-84)
where the pre-exponential factor Ai and the activation energy Ei can be measured for each char. In the absence of such measurements, the default values provided by FLUENT (which are taken from a least squares t of data of a wide range of porous carbons, including chars [340]) can be used.
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To allow a more adequate description of the char particle size (and hence density) variation during combustion, you can specify the burning mode , relating the char particle diameter to the fractional degree of burnout U (where U = 1 mp /mp,0 ) by [339] dp = (1 U ) dp,0 (22.9-85)
where mp is the char particle mass and the subscript zero refers to initial conditions (i.e., at the start of char combustion). Note that 0 1/3 where the limiting values 0 and 1/3 correspond, respectively, to a constant size with decreasing density (zone 1) and a decreasing size with constant density (zone 3) during burnout. In zone 2, an intermediate value of = 0.25, corresponding to a decrease of both size and density, has been found to work well for a variety of chars [339]. When this model is enabled, the rate constants used in Equations 22.9-74, 22.9-78, 22.9-80, 22.9-81, 22.9-83, 22.9-84, and 22.9-85 are entered in the Materials panel, as described in Section 22.14: Setting Material Properties for the Discrete Phase. The Multiple Surface Reactions Model Modeling multiple particle surface reactions follows a pattern similar to the wall surface reaction models, where the surface species is now a particle surface species. For the mixture material dened in the Species Model panel, the particle surface species can be depleted or produced by the stoichiometry of the particle surface reaction (dened in the Reactions panel). The particle surface species constitutes the reactive char mass of the particle, hence, if a particle surface species is depleted, the reactive char content of the particle is consumed, and in turn, when a surface species is produced, it is added to the particle char mass. Any number of particle surface species and any number of particle surface reactions can be dened for any given combusting particle. Multiple injections can be accommodated, and combusting particles reacting according to the multiple surface reactions model can coexist in the calculation, with combusting particles following other char combustion laws. The model is based on oxidation studies of char particles, but it is also applicable to gas-solid reactions in general, not only to char oxidation reactions. See Section 14.3: Particle Surface Reactions for information about particle surface reactions.
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Limitations Note the following limitations of the multiple surface reactions model: The model is not available together with the unsteady tracking option. The model is available only with the species transport model for volumetric reactions, and not with the nonpremixed, premixed, or partially premixed combustion models. Heat and Mass Transfer During Char Combustion The surface reaction consumes the oxidant species in the gas phase; i.e., it supplies a (negative) source term during the computation of the transport equation for this species. Similarly, the surface reaction is a source of species in the gas phase: the product of the heterogeneous surface reaction appears in the gas phase as a user-selected chemical species. The surface reaction also consumes or produces energy, in an amount determined by the heat of reaction dened by you. The particle heat balance during surface reaction is mp cp dTp dmp = hAp (T Tp ) fh Hreac + Ap p (R 4 Tp 4 ) dt dt (22.9-86)
where Hreac is the heat released by the surface reaction. Note that only a portion (1 fh ) of the energy produced by the surface reaction appears as a heat source in the gasphase energy equation: the particle absorbs a fraction fh of this heat directly. For coal combustion, it is recommended that fh be set at 1.0 if the char burnout product is CO and 0.3 if the char burnout product is CO2 [38]. Radiation heat transfer to the particle is included only if you have enabled the P-1 or discrete ordinates radiation model and you have activated radiation heat transfer to particles using the Particle Radiation Interaction option in the Discrete Phase Model panel. By default, Equation 22.9-86 is solved analytically, by assuming that the temperature and mass of the particle do not change signicantly between time steps. FLUENT can also solve Equation 22.9-86 in conjunction with the equivalent mass transfer equation using a sti coupled solver. See Section 22.11.7: Including Coupled Heat-Mass Solution Eects on the Particles for details.
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Multicomponent Particle Denition (Law 7)

Multicomponent particles are described in FLUENT as a mixture of species within droplets/particles. The particle mass m is the sum of the masses of the components m=
i
mi
(22.9-87)
The density of the particle p can be either constant, or volume-averaged: mi mi

1
p =
i
(22.9-88)
For particles containing more than one component it is dicult to assign the whole particle to one process like boiling or heating. Therefore it can be only modeled by a law integrating all processes of relevance in one equation. The source terms for temperature and component mass are the sum of the sources from the partial processes: dTp dt
4 4 = Ap p (R Tp ) + hAp (T Tp ) + i
m p cp
dmi (hi,p hi,g ) dt
(22.9-89)
dmi dt
= Mw,i kc,i (Ci,s Ci, )
(22.9-90)
The equation for the particle temperature T consists of terms for radiation, convective heating (Equation 22.9-11) and vaporization. Radiation heat transfer to the particle is included only if you have enabled P-1 or Discrete-Ordinates (DO) radiation and you have activated radiation heat transfer to the particles using the Particle Radiation Interaction option in the Discrete Phase Model panel. The mass of the particle components mi is only inuenced by the vaporization (Equation 22.9-20), where Mw,i is the molecular weight of species i. The mass transfer coecient kc,i of component i is calculated from the Sherwood correlation (Equation 22.9-23). The concentration of vapor at the particle surface Ci,s depends on the saturation pressure of the component. Raoults Law The correlation between the vapor concentration of a species Ci,s over the surface and its mole fraction in the condensed phase Xi (under the assumption of an ideal gas law) is described by Raoults law: Ci,s = pi Xi p = RT RT (22.9-91)
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22.10 Discrete Phase Model (DPM) Boundary Conditions
You can dene your own law other than Raoults Law for vapor concentration at the particle surface using a user-dened function. See Section 2.5.15: DEFINE DPM VP EQUILIB of the FLUENT UDF Manual for details.
22.10
Discrete Phase Model (DPM) Boundary Conditions
When a particle strikes a boundary face, one of several contingencies may arise: The particle may be reected via an elastic or inelastic collision. The particle may escape through the boundary. The particle is lost from the calculation at the point where it impacts the boundary. The particle may be trapped at the wall. Nonvolatile material is lost from the calculation at the point of impact with the boundary; volatile material present in the particle or droplet is released to the vapor phase at this point. The particle may pass through an internal boundary zone, such as radiator or porous jump. The particle may slide along the wall, depending on particle properties and impact angle. You also have the option of implementing a user-dened function to model the particle behavior when hitting the boundary. See the separate UDF Manual for information about user-dened functions. These boundary condition options are described in detail in Section 22.13: Setting Boundary Conditions for the Discrete Phase.
22.11
Steps for Using the Discrete Phase Models
You can include a discrete phase in your FLUENT model by dening the initial position, velocity, size, and temperature of individual particles. These initial conditions, along with your inputs dening the physical properties of the discrete phase, are used to initiate trajectory and heat/mass transfer calculations. The trajectory and heat/mass transfer calculations are based on the force balance on the particle and on the convective/radiative heat and mass transfer from the particle, using the local continuous phase conditions as the particle moves through the ow. The predicted trajectories and the associated heat and mass transfer can be viewed graphically and/or alphanumerically.
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The procedure for setting up and solving a problem involving a discrete phase is outlined below, and described in detail in Sections 22.11.122.16. Only the steps related specically to discrete phase modeling are shown here. For information about inputs related to other models that you are using in conjunction with the discrete phase models, see the appropriate sections for those models. 1. Enable any of the discrete phase modeling options, if relevant, as described in this section. 2. Choose a transient or steady treatment of particles as described in Section 22.11.2: Steady/Transient Treatment of Particles. 3. Enable the required physical submodels for the discrete phase model, as described in Section 22.11.5: Physical Models for the Discrete Phase Model. 4. Set the numerics parameters and solve the problem, as described in Section 22.11.7: Numerics of the Discrete Phase Model and Section 22.15: Solution Strategies for the Discrete Phase. 5. Specify the initial conditions and particle size distributions, as described in Section 22.12: Setting Initial Conditions for the Discrete Phase. 6. Dene the boundary conditions, as described in Section 22.13: Setting Boundary Conditions for the Discrete Phase. 7. Dene the material properties, as described in Section 22.14: Setting Material Properties for the Discrete Phase. 8. Initialize the ow eld. 9. For transient cases, advance the solution in time by taking the desired number of time steps. Particle positions will be updated as the solution advances in time. If you are solving an uncoupled ow, the particle position will be updated at the end of each time step. For a coupled calculation, the positions are iterated on or within each time step. 10. Solve the coupled or uncoupled ow (Section 22.15: Solution Strategies for the Discrete Phase). 11. Examine the results, as described in Section 22.16: Postprocessing for the Discrete Phase.
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22.11 Steps for Using the Discrete Phase Models
22.11.1
Options for Interaction with the Continuous Phase
If the discrete phase interacts (i.e., exchanges mass, momentum, and/or energy) with the continuous phase, you should enable the Interaction with the Continuous Phase option. An input for the Number of Continuous Phase Iterations per DPM Iteration will appear, which allows you to control the frequency at which the particles are tracked and the DPM sources are updated. For steady-state simulations, increasing the Number of Continuous Phase Iterations per DPM Iteration will increase stability but require more iterations to converge. Figure 22.11.1 shows how the source term, S, when applied to the ow equations, changes with the number of updates for varying under-relaxation factors. In Figure 22.11.1, S is the nal source term for which a value is reached after a certain number of updates and S0 is the initial source term at the start of the computation. The value of S0 is typically zero at the beginning of the calculation. In addition, another option exists which allows you to control the numerical treatment of the source terms and how they are applied to the continuous phase equations. Update DPM Sources Every Flow Iteration is recommended when doing unsteady simulations; at every DPM Iteration, the particle source terms are recalculated. The source terms applied to the continuous phase equations transition to the new values every ow iteration based on Equations 22.9-6 to 22.9-8. This process is controlled by the under-relaxation factor, specied in the Solution Controls panel, see Section 22.15.2: Under-Relaxation of the Interphase Exchange Terms. Figure 22.11.1 can be applied to this option as well. Keep in mind that the DPM source terms are updated every continuous ow iteration.
22.11.2
Steady/Transient Treatment of Particles
The Discrete Phase Model utilizes a Lagrangian approach to derive the equations for the underlying physics which are solved transiently. Transient numerical procedures in the Discrete Phase Model can be applied to resolve steady ow simulations as well as transient ows. In the Discrete Phase Model panel you have the option of choosing whether you want to treat the particles in an unsteady or a steady fashion. This option can be chosen independent of the settings for the solver. Thus, you can perform steady state trajectory simulations even when selecting a transient solver for numerical reasons. You can also specify unsteady particle tracking when solving the steady continuous phase equations. This can be used to improve numerical stability for very large particle source terms or simply for postprocessing purposes. Whenever you enable a breakup or collision model to simulate sprays, the Unsteady Particle Tracking will be switched on automatically.
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Figure 22.11.1: Eect of Number of Source Term Updates on Source Term Applied to Flow Equations
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When Unsteady Particle Tracking is enabled, several new options appear. If steady state equations are solved for the continuous phase, you simply enter the Particle Time Step Size and the Number of Time Steps, thus tracking particles every time a DPM iteration is conducted. When you increase the Number of Time Steps, the droplets penetrate the domain faster.
Note that you must enter the start and stop times for each injection.
When solving unsteady equations for the continuous phase, you must decide whether you want to use Fluid Flow Time Step to inject the particles, or whether you prefer a Particle Time Step Size independent of the Fluid Flow Time Step. With the latter option, you can use the Discrete Phase Model in combination with changes in the time step for the continuous equations, as it is done when using adaptive ow time stepping. If you do not use Fluid Flow Time Step, you will need to decide when to inject the particles for a new time step. You can either Inject Particles at Particle Time step or at the ow time step. In any case, the particles will always be tracked in such a way that they coincide with the ow time of the continuous ow solver. You can use a user-dened function (DEFINE DPM TIMESTEP) to change the time step for DPM particle tracking. The time step can be prescribed for special applications where a certain time step is needed. See Section 2.5.14: DEFINE DPM TIMESTEP of the FLUENT UDF Manual for details on changing the time step size for DPM particle tracking.
When the density-based explicit solver is used with the explicit unsteady formulation, the particles are advanced once per time step and are calculated at the start of the time step (before the ow is updated).
Additional inputs are required for each injection in the Set Injection Properties panel. For Unsteady Particle Tracking, the injection Start Time and Stop Time must be specied under Point Properties. Injections with start and stop times set to zero will be injected only at the start of the calculation (t = 0). Changing injection settings during a transient simulation will not aect particles currently released in the domain. At any point during a simulation, you can clear particles that are currently in the domain by clicking on the Clear Particles button in the Discrete Phase Model panel.
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For unsteady simulations (with the implicit solvers), several methods can be chosen to control when the particles are advanced. If the Number of Continuous Phase Iterations per DPM Iteration is less than the number of iterations required to converge the continuous phase between time steps, then sub-iterations are done. Here, particles are tracked to their new positions during a time step and DPM sources are updated; particles are then returned to their original state at the beginning of the time step. At the end of the time step, particles are advanced to their new positions based on the continuous-phase solution. If the Number of Continuous Phase Iterations per DPM Iteration is larger than the number of iterations specied to converge the continuous phase between time steps, the particles are advanced at the beginning of the time step to compute the particle source terms. When you specify a value of Zero as the Number of Continuous Phase Iterations per DPM Iteration, the particles are advanced at the end of the time step. For this option, it may be better if the particle source terms are not reset at the beginning of the time step. This can be done with the TUI command define/models /dpm/interaction/reset-sources-at-timestep?. In all the above cases, you must provide a sucient number of particle source term updates to better control when the particles are advanced, see Figure 22.11.1.
i i
In steady-state discrete phase modeling, particles do not interact with each other and are tracked one at a time in the domain. If the collision model is used, you will not be able to set the Number of Continuous Phase Iterations per DPM Iteration. Refer to Section 22.7.1: Droplet Collision Model for details about this limitation.
22.11.3
Parameter Tracking for the Discrete Phase Model
You will use two parameters to control the time integration of the particle trajectory equations: the length scale/step length factor This factor is used to set the time step for integration within each control volume. the maximum number of time steps This factor is used to abort trajectory calculations when the particle never exits the ow domain.
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Each of these parameters is set in the Discrete Phase Model panel (Figure 22.11.2) under Tracking Parameters in the Tracking tab. Dene Models Discrete Phase...
Figure 22.11.2: The Discrete Phase Model Panel and the Tracking Parameters
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Max. Number Of Steps is the maximum number of time steps used to compute a single particle trajectory via integration of Equations 22.2-1 and 22.15-1. When the maximum number of steps is exceeded, FLUENT abandons the trajectory calculation for the current particle injection and reports the trajectory fate as incomplete. The limit on the number of integration time steps eliminates the possibility of a particle being caught in a recirculating region of the continuous phase ow eld and being tracked innitely. Note that you may easily create problems in which the default value of 500 time steps is insucient for completion of the trajectory calculation. In this case, when trajectories are reported as incomplete within the domain and the particles are not recirculating indenitely, you can increase the maximum number of steps (up to a limit of 109 ). Length Scale controls the integration time step size used to integrate the equations of motion for the particle. The integration time step is computed by FLUENT based on a specied length scale L, and the velocity of the particle (up ) and of the continuous phase (uc ): t = L up + uc (22.11-1)
where L is the Length Scale that you dene. As dened by Equation 22.11-1, L is proportional to the integration time step and is equivalent to the distance that the particle will travel before its motion equations are solved again and its trajectory is updated. A smaller value for the Length Scale increases the accuracy of the trajectory and heat/mass transfer calculations for the discrete phase. (Note that particle positions are always computed when particles enter/leave a cell; even if you specify a very large length scale, the time step used for integration will be such that the cell is traversed in one step.) Length Scale will appear in the Discrete Phase Model panel when the Specify Length Scale option is on. Step Length Factor also controls the time step size used to integrate the equations of motion for the particle. It diers from the Length Scale in that it allows FLUENT to compute the time step in terms of the number of time steps required for a particle to traverse a computational cell. To set this parameter instead of the Length Scale, turn o the Specify Length Scale option. The integration time step is computed by FLUENT based on a characteristic time that is related to an estimate of the time required for the particle to traverse the current continuous phase control volume. If this estimated transit time is dened as t , FLUENT chooses a time step t as t = t (22.11-2)
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where is the Step Length Factor. As dened by Equation 22.11-2, is inversely proportional to the integration time step and is roughly equivalent to the number of time steps required to traverse the current continuous phase control volume. A larger value for the Step Length Factor decreases the discrete phase integration time step. The default value for the Step Length Factor is 5. Step Length Factor will appear in the Discrete Phase Model panel when the Specify Length Scale option is o (the default setting). One simple rule of thumb to follow when setting the parameters above is that if you want the particles to advance through a domain consisting of N grid cells into the main ow direction, the Step Length Factor times N should be approximately equal to the Max. Number Of Steps.
22.11.4
Alternate Drag Laws
There are ve drag laws for the particles that can be selected in the Drag Law drop-down list under Drag Parameters. The spherical, nonspherical, Stokes-Cunningham, and high-Mach-number laws described in Section 22.2.1: Particle Force Balance are always available, and the dynamic-drag law described in Section 22.6: Dynamic Drag Model Theory is available only when one of the droplet breakup models is used in conjunction with unsteady tracking. See Section 22.11.6: Modeling Spray Breakup for information about enabling the droplet breakup models. If the spherical law, the high-Mach-number law, or the dynamic-drag law is selected, no further inputs are required. If the nonspherical law is selected, the particle Shape Factor ( in Equation 22.2-9) must be specied. The shape factor value cannot exceed 1. For the Stokes-Cunningham law, the Cunningham Correction factor (Cc in Equation 22.2-11) must be specied.
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22.11.5
Physical Models for the Discrete Phase Model
This section provides instructions for using the optional discrete phase models available in FLUENT. All of them can be turned on in the Discrete Phase Model panel (Figure 22.11.3). Dene Models Discrete Phase...
Figure 22.11.3: The Discrete Phase Model Panel and the Physical Models
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Including Radiation Heat Transfer Effects on the Particles

If you want to include the eect of radiation heat transfer to the particles (Equation 13.3-13), you must turn on the Particle Radiation Interaction option under the Physical Models tab, in the Discrete Phase Model panel (Figure 22.11.3). You will also need to dene additional properties for the particle materials (emissivity and scattering factor), as described in Section 22.14.2: Description of the Properties. This option is available only when the P-1 or discrete ordinates radiation model is used.
Including Thermophoretic Force Effects on the Particles

If you want to include the eect of the thermophoretic force on the particle trajectories (Equation 22.2-14), turn on the Thermophoretic Force option under the Physical Models tab, in the Discrete Phase Model panel. You will also need to dene the thermophoretic coecient for the particle material, as described in Section 22.14.2: Description of the Properties.
Including Brownian Motion Effects on the Particles

For sub-micron particles in laminar ow, you may want to include the eects of Brownian motion (described in Section 22.2.1: Brownian Force) on the particle trajectories. To do so, turn on the Brownian Motion option under the Physical Models tab. When Brownian motion eects are included, it is recommended that you also select the StokesCunningham drag law in the Drag Law drop-down list under Drag Parameters, and specify the Cunningham Correction (Cc in Equation 22.2-11).
Including Saffman Lift Force Effects on the Particles

For sub-micron particles, you can also model the lift due to shear (the Saman lift force, described in Section 22.2.1: Samans Lift Force) in the particle trajectory. To do this, turn on the Saman Lift Force option under the Physical Models tab, in the Discrete Phase Model panel.
Monitoring Erosion/Accretion of Particles at Walls

Particle erosion and accretion rates can be monitored at wall boundaries. These rate calculations can be enabled in the Discrete Phase Model panel when the discrete phase is coupled with the continuous phase (i.e., when Interaction with Continuous Phase is selected). Turning on the Erosion/Accretion option will cause the erosion and accretion rates to be calculated at wall boundary faces when particle tracks are updated. You will also need to set the Impact Angle Function (f () in Equation 22.5-1), Diameter Function (C(dp ) in Equation 22.5-1), and Velocity Exponent Function (b(v) in Equation 22.5-1) in the Wall boundary conditions panel for each wall zone (as described in Section 22.13.1: Discrete Phase Boundary Condition Types).
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Including the Effect of Particles on Turbulent Quantities

Particles can damp or produce turbulent eddies ([268]. In FLUENT, the work done by the turbulent eddies on the particles is subtracted from the turbulent kinetic energy using the formulation described in [98] and [9]. If you want to consider these eects in the chosen turbulence model, you can turn this on using Two-Way Turbulence Coupling, under the Physical Models tab.
Tracking in a Reference Frame

Particle tracking is related to a coordinate system. With Track in Absolute Frame enabled, you can choose to track the particles in the absolute reference frame. All particle coordinates and velocities are then computed in this frame. The forces due to friction with the continuous phase are transformed to this frame automatically. In rotating ows it might be appropriate for numerical reasons to track the particles in the relative reference frame. If several reference frames exist in one simulation, then the particle velocities are transformed to each reference frame when they enter the uid zone associated with this reference frame.
22.11.6
Options for Spray Modeling
When you enable particle tracking, the Physical Models tab in Discrete Phase Model panel will expand to show options related to spray modeling.
Modeling Spray Breakup

To enable the modeling of spray breakup, select the Droplet Breakup option under Spray Model and then select the desired model (TAB or Wave). A detailed description of these models can be found in Section 22.7.2: Droplet Breakup Models. For the TAB model, you will need to specify a value for y0 (the initial distortion at time equal to zero in Equation 22.7-14) in the y0 eld. The default value (y0 = 0) is recommended. You will also set the number of Breakup Parcels (under Breakup Constants), to split the droplet into several child parcels, as described in Section 22.7.2: Velocity of Child Droplets. For the wave model, you will need to specify values for B0 and B1, where B0 is the constant B0 in Equation 22.7-43 and B1 is the constant B1 in Equation 22.7-45. You will generally not need to modify the value of B0, as the default value 0.61 is acceptable for nearly all cases. A value of 1.73 is recommended for B1. For steady-state simulations, you will also need to specify an appropriate Particle Time Step Size and the Number of Time Steps which will control the spray density. See Section 22.11.1: Options for Interaction with the Continuous Phase for more information.
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Note that you may want to use the dynamic drag law when you use one of the spray breakup models. See Section 22.11.4: Alternate Drag Laws for information about choosing the drag law.
Modeling Droplet Collisions

To include the eect of droplet collisions, as described in Section 22.7.1: Droplet Collision Model, select the Droplet Collision option under Spray Models. There are no further inputs for this model.
22.11.7
Numerics of the Discrete Phase Model
The underlying physics of the Discrete Phase Model is described by ordinary dierential equations (ODE) as opposed to the continuous ow which is expressed in the form of partial dierential equations (PDE). Therefore, the Discrete Phase Model uses its own numerical mechanisms and discretization schemes, which are completely dierent from other numerics used in FLUENT. The Numerics tab gives you control over the numerical schemes for particle tracking as well as solutions of heat and mass equations (Figure 22.11.4).
Numerics for Tracking of the Particles

To solve equations of motion for the particles, the following numerical schemes are available: implicit uses an implicit Euler integration of Equation 22.2-1 which is unconditionally stable for all particle relaxation times. trapezoidal uses a semi-implicit trapezoidal integration. analytic uses an analytical integration of Equation 22.2-1 where the forces are held constant during the integration. runge-kutta facilitates a 5th order Runge Kutta scheme derived by Cash and Karp [49].
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Figure 22.11.4: The Discrete Phase Model Panel and the Numerics
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You can either choose a single tracking scheme, or switch between higher order and lower order tracking schemes using an automated selection based on the accuracy to be achieved and the stability range of each scheme. In addition, you can control how accurately the equations need to be solved. Accuracy Control enables the solution of equations of motion within a specied tolerance. This is done by computing the error of the integration step and reducing the integration step if the error is too large. If the error is within the given tolerance, the integration step will also be increased in the next steps. Tolerance is the maximum relative error which has to be achieved by the tracking procedure. Based on the numerical scheme, dierent methods are used to estimate the relative error. The implemented Runge-Kutta scheme uses an embedded error control mechanism. The error of the other schemes is computed by comparing the result of the integration step with the outcome of a two step procedure with half the step size. Max. Renements is the maximum number of step size renements in one single integration step. If this number is exceeded the integration will be conducted with the last rened integration step size. Automated Tracking Scheme Selection provides a mechanism to switch in an automated fashion between numerically stable lower order schemes and higher order schemes, which are stable only in a limited range. In situations where the particle is far from hydrodynamic equilibrium, an accurate solution can be achieved very quickly with a higher order scheme, since these schemes need less step renements for a certain tolerance. When the particle reaches hydrodynamic equilibrium, the higher order schemes become inecient since their step length is limited to a stable range. In this case, the mechanism switches to a stable lower order scheme and facilitates larger integration steps.
This mechanism is only available when Accuracy Control is enabled.
Higher Order Scheme can be chosen from the group consisting of trapezoidal and rungekutta scheme. Lower Order Scheme consists of implicit and the exponential analytic integration scheme. Tracking Scheme is selectable only if Automated Tracking Scheme Selection is switched o. You can choose any of the tracking schemes. You also can combine each of the tracking schemes with Accuracy Control.
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Including Coupled Heat-Mass Solution Effects on the Particles

By default, the solution of the particle heat and mass equations are solved in a segregated manner. If you enable the Coupled Heat-Mass Solution option, FLUENT will solve this pair of equations using a sti, coupled ODE solver with error tolerance control. The increased accuracy, however, comes at the expense of increased computational expense.
22.11.8
User-Dened Functions
User-dened functions can be used to customize the discrete phase model to include additional body forces, modify interphase exchange terms (sources), calculate or integrate scalar values along the particle trajectory, and incorporate nonstandard erosion rate denitions. See the separate UDF Manual for information about user-dened functions. In the Discrete Phase Model panel, under User-Dened Functions in the UDF tab, there are drop-down lists labeled Body Force, Scalar Update, Source, Spray Collide Function, and DPM Time Step (Figure 22.11.5). If Erosion/Accretion is enabled under the Physical Models tab, there will be an additional drop-down list labeled Erosion/Accretion. These lists will show available user-dened functions that can be selected to customize the discrete phase model. In addition, you can specify a Number of Scalars which are allocated to each particle and can be used to store information when implementing your own particle models.
22.11.9
Parallel Processing for the Discrete Phase Model
FLUENT oers two modes of parallel processing for the discrete phase model: the Shared Memory and the Message Passing options under the Parallel tab, in the Discrete Phase Model panel. The Shared Memory option is suitable for computations where the machine running the FLUENT host process is an adequately large, shared memory, multiprocessor machine. The Message Passing option is turned on by default and is suitable for generic distributed memory cluster computing.
When tracking particles in parallel, the DPM model cannot be used with any of the multiphase ow models (VOF, mixture, or Eulerian) if the Shared Memory option is enabled. (Note that using the Message Passing option, when running in parallel, enables the compatibility of all multiphase ow models with the DPM model.)
The Shared Memory option is implemented using POSIX Threads (pthreads) based on a shared memory model. Once the Shared Memory option is enabled, you can then select along with it the Workpile Algorithm and specify the Number of Threads. By default, the Number of Threads is equal to the number of compute nodes specied for the parallel computation. You can modify this value based on the computational requirements of the particle calculations. If, for example, the particle calculations require more computation
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Figure 22.11.5: The Discrete Phase Model Panel and the UDFs
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than the ow calculation, you can increase the Number of Threads (up to the number of available processors) to improve performance. When using the Shared Memory option, the particle calculations are entirely managed by the FLUENT host process. You must make sure that the machine executing the host process has enough memory to accommodate the entire grid.
Note that the Shared Memory option is not available for Windows 2000.
The Message Passing option enables cluster computing and also works on shared memory machines. With this option enabled, the compute node processes perform the particle work on their local partitions. Particle migration to other compute nodes is implemented using message passing primitives. There are no special requirements for the host machine. Note that this model is not available if the Cloud Model option is turned on under the Turbulent Dispersion tab of the Set Injection Properties panel. When running FLUENT in parallel, by default, pathline displays are computed in serial on the host node. Pathline displays may be computed in parallel on distributed memory systems if the Message Passing parallel option is selected in the Discrete Phase Model panel. You may seamlessly switch between the Shared Memory option and the Message Passing option at any time during the FLUENT session. In addition to performing general parallel processing of the Discrete Phase Model, you have the option of implementing DPM-specic user-dened functions in parallel FLUENT. See Section 7.4: Parallelization of Discrete Phase Model (DPM) UDFs of the separate UDF Manual for details on parallelization of DPM UDFs.
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22.12 Setting Initial Conditions for the Discrete Phase

For liquid sprays, a convenient representation of the droplet size distribution is the RosinRammler expression. The complete range of sizes is divided into an adequate number of discrete intervals; each represented by a mean diameter for which trajectory calculations are performed. If the size distribution is of the Rosin-Rammler type, the mass fraction of droplets of diameter greater than d is given by Yd = e(d/d)
n
(22.12-1)
where d is the size constant and n is the size distribution parameter. Use of the RosinRammler size distribution is detailed in Section 22.12.1: Using the Rosin-Rammler Diameter Distribution Method. The primary inputs that you must provide for the discrete phase calculations in FLUENT are the initial conditions that dene the starting positions, velocities, and other parameters for each particle stream. These initial conditions provide the starting values for all of the dependent discrete phase variables that describe the instantaneous conditions of an individual particle, and include the following: position (x, y, z coordinates) of the particle velocities (u, v, w) of the particle Velocity magnitudes and spray cone angle can also be used (in 3D) to dene the initial velocities (see Section 22.12.1: Point Properties for Cone Injections). For moving reference frames, relative velocities should be specied. diameter of the particle, dp temperature of the particle, Tp mass ow rate of the particle stream that will follow the trajectory of the individual particle/droplet, mp (required only for coupled calculations) additional parameters if one of the atomizer models described in Section 22.8: Atomizer Model Theory is used for the injection
When an atomizer model is selected, you will not input initial diameter, velocity, and position quantities for the particles due to the complexities of sheet and ligament breakup. Instead of initial conditions, the quantities you will input for the atomizer models are global parameters.
These dependent variables are updated according to the equations of motion (Section 22.2: Particle Motion Theory) and according to the heat/mass transfer relations
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applied (Section 22.9: One-Way and Two-Way Coupling) as the particle/droplet moves along its trajectory. You can dene any number of dierent sets of initial conditions for discrete phase particles/droplets provided that your computer has sucient memory.
22.12.1
Injection Types
You will dene the initial conditions for a particle/droplet stream by creating an injection and assigning properties to it. FLUENT provides 11 types of injections: single group cone (only in 3D) solid-cone (only in 3D) surface plain-orice atomizer pressure-swirl atomizer at-fan-atomizer air-blast-atomizer eervescent-atomizer le For each nonatomizer injection type, you will specify each of the initial conditions listed in Section 22.12: Setting Initial Conditions for the Discrete Phase, the type of particle that possesses these initial conditions, and any other relevant parameters for the particle type chosen. You should create a single injection when you want to specify a single value for each of the initial conditions (Figure 22.12.1). Create a group injection (Figure 22.12.2) when you want to dene a range for one or more of the initial conditions (e.g., a range of diameters or a range of initial positions). To dene hollow spray cone injections in 3D problems, create a cone injection (Figure 22.12.3). To release particles from a surface (either a zone surface or a surface you have dened using the items in the Surface menu), you will create a surface injection. (If you create a surface injection, a particle stream will be released from each facet of the surface. You can use the Bounded and Sample Points options in the Plane Surface panel to create injections from a rectangular grid of particles in 3D (see Section 27.6: Plane Surfaces for details).
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Figure 22.12.1: Particle Injection Dening a Single Particle Stream
q q q q
Figure 22.12.2: Particle Injection Dening an Initial Spatial Distribution of the Particle Streams
Figure 22.12.3: Particle Injection Dening an Initial Spray Distribution of the Particle Velocity
w
w w
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Particle initial conditions (position, velocity, diameter, temperature, and mass ow rate) can also be read from an external le if none of the injection types listed above can be used to describe your injection distribution. The le has the following form: (( x y z u v w diameter temperature mass-flow) name ) with all of the parameters in SI units. All the parentheses are required, but the name is optional. The inputs for setting injections are described in detail in Section 22.12.4: Dening Injection Properties.
Point Properties for Single Injections

For a single injection, you will dene the following initial conditions for the particle stream under the Point Properties heading (in the Set Injection Properties panel): position Set the x, y, and z positions of the injected stream along the Cartesian axes of the problem geometry in the X-, Y-, and Z-Position elds. (Z-Position will appear only for 3D problems.) velocity Set the x, y, and z components of the streams initial velocity in the X-, Y-, and Z-Velocity elds. (Z-Velocity will appear only for 3D problems.) diameter Set the initial diameter of the injected particle stream in the Diameter eld. temperature Set the initial (absolute) temperature of the injected particle stream in the Temperature eld. mass ow rate For coupled phase calculations (see Section 22.15: Solution Strategies for the Discrete Phase), set the mass of particles per unit time that follows the trajectory dened by the injection in the Flow Rate eld. Note that in axisymmetric problems the mass ow rate is dened per 2 radians and in 2D problems per unit meter depth (regardless of the reference value for length). duration of injection For unsteady particle tracking (see Section 22.11.2: Steady/Transient Treatment of Particles), set the starting and ending time for the injection in the Start Time and Stop Time elds.
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Point Properties for Group Injections

For group injections, you will dene the properties described in Section 22.12.1: Point Properties for Single Injections for single injections for the First Point and Last Point in the group. That is, you will dene a range of values, 1 through N , for each initial condition by setting values for 1 and N . FLUENT assigns a value of to the ith injection in the group using a linear variation between the rst and last values for : i = 1 + N 1 (i 1) N 1 (22.12-2)
Thus, for example, if your group consists of 5 particle streams and you dene a range for the initial x location from 0.2 to 0.6 meters, the initial x location of each stream is as follows: Stream 1: x = 0.2 meters Stream 2: x = 0.3 meters Stream 3: x = 0.4 meters Stream 4: x = 0.5 meters Stream 5: x = 0.6 meters
In general, you should supply a range for only one of the initial conditions in a given groupleaving all other conditions xed while a single condition varies among the stream numbers of the group. Otherwise you may nd, for example, that your simultaneous inputs of a spatial distribution and a size distribution have placed the small droplets at the beginning of the spatial range and the large droplets at the end of the spatial range.
Note that you can use a dierent method for dening the size distribution of the particles, as discussed below.
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Using the Rosin-Rammler Diameter Distribution Method By default, you will dene the size distribution of particles by inputting a diameter for the rst and last points and using the linear equation (22.12-2) to vary the diameter of each particle stream in the group. When you want a dierent mass ow rate for each particle/droplet size, however, the linear variation may not yield the distribution you need. Your particle size distribution may be dened most easily by tting the size distribution data to the Rosin-Rammler equation. In this approach, the complete range of particle sizes is divided into a set of discrete size ranges, each to be dened by a single stream that is part of the group. Assume, for example, that the particle size data obeys the following distribution:
Diameter Range (m) 070 70100 100120 120150 150180 180200
Mass Fraction in Range 0.05 0.10 0.35 0.30 0.15 0.05
The Rosin-Rammler distribution function is based on the assumption that an exponential relationship exists between the droplet diameter, d, and the mass fraction of droplets with diameter greater than d, Yd : Yd = e(d/d)
n
(22.12-3)
FLUENT refers to the quantity d in Equation 22.12-3 as the Mean Diameter and to n as the Spread Parameter. These parameters are input by you (in the Set Injection Properties panel under the First Point heading) to dene the Rosin-Rammler size distribution. To solve for these parameters, you must t your particle size data to the Rosin-Rammler exponential equation. To determine these inputs, rst recast the given droplet size data in terms of the Rosin-Rammler format. For the example data provided above, this yields the following pairs of d and Yd : Diameter, d (m) 70 100 120 150 180 200 Mass Fraction with Diameter Greater than d, Yd 0.95 0.85 0.50 0.20 0.05 (0.00)
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A plot of Yd vs. d is shown in Figure 22.12.4.

1.0 0.9 0.8 0.7
Mass Fraction > d, Yd
0.6 0.5 0.4 0.3 0.2 0.1 0

50 70 90 110 130 150 170 190 210 230 250
Diameter, d ( m)
Figure 22.12.4: Example of Cumulative Size Distribution of Particles
Next, derive values of d and n such that the data in Figure 22.12.4 t Equation 22.12-3. The value for d is obtained by noting that this is the value of d at which Yd = e1 0.368. From Figure 22.12.4, you can estimate that this occurs for d 131 m. The numerical value for n is given by n= ln( ln Yd ) ln d/d
By substituting the given data pairs for Yd and d/d into this equation, you can obtain values for n and nd an average. Doing so yields an average value of n = 4.52 for the example data above. The resulting Rosin-Rammler curve t is compared to the example data in Figure 22.12.5. You can input values for d and n, as well as the diameter range of the data and the total mass ow rate for the combined individual size ranges, using the Set Injection Properties panel.
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This technique of tting the Rosin-Rammler curve to spray data is used when reporting the Rosin-Rammler diameter and spread parameter in the discrete phase summary panel in Section 22.16.8: Summary Reporting of Current Particles.
1.0 0.9 0.8 0.7
Mass Fraction > d, Yd
0.6 0.5 0.4 0.3 0.2 0.1 0

50 70 90 110 130 150 170 190 210 230 250
Diameter, d ( m)
Figure 22.12.5: Rosin-Rammler Curve Fit for the Example Particle Size Data
A second Rosin-Rammler distribution is also available based on the natural logarithm of the particle diameter. If in your case, the smaller-diameter particles in a Rosin-Rammler distribution have higher mass ows in comparison with the larger-diameter particles, you may want better resolution of the smaller-diameter particle streams, or bins. You can therefore choose to have the diameter increments in the Rosin-Rammler distribution done uniformly by ln d. In the standard Rosin-Rammler distribution, a particle injection may have a diameter range of 1 to 200 m. In the logarithmic Rosin-Rammler distribution, the same diameter range would be converted to a range of ln 1 to ln 200, or about 0 to 5.3. In this way, the mass ow in one bin would be less-heavily skewed as compared to the other bins.
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When a Rosin-Rammler size distribution is being dened for the group of streams, you should dene (in addition to the initial velocity, position, and temperature) the following parameters, which appear under the heading for the First Point: Total Flow Rate This is the total mass ow rate of the N streams in the group. Note that in axisymmetric problems this mass ow rate is dened per 2 radians and in 2D problems per unit meter depth. Min. Diameter This is the smallest diameter to be considered in the size distribution. Max. Diameter This is the largest diameter to be considered in the size distribution. Mean Diameter This is the size parameter, d, in the Rosin-Rammler equation (22.12-3). Spread Parameter This is the exponential parameter, n, in Equation 22.12-3. The Stochastic Rosin-Rammler Diameter Distribution Method For atomizer injections, a Rosin-Rammler distribution is assumed for the particles exiting the injector. In order to decrease the number of particles necessary to accurately describe the distribution, the diameter distribution function is randomly sampled for each instance where new particles are introduced into the domain. The Rosin-Rammler distribution can be written as 1 Y = exp D d
n
(22.12-4)
where Y is the mass fraction smaller than a given diameter D, d is the Rosin-Rammler diameter and n is the Rosin-Rammler exponent. This expression can be inverted by taking logs of both sides and rearranging, D = d ( ln(1 Y ))1/n . (22.12-5)
Given a mass fraction Y along with parameters d and n, this function will explicitly provide a diameter, D. Diameters for the atomizer injectors described in Section 22.12.1: Point Properties for Plain-Orice Atomizer Injections are obtained by uniformly sampling Y in equation 22.12-5.
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Point Properties for Cone Injections

In 3D problems, you can dene a hollow or solid cone of particle streams using the cone or solid-cone injection type, respectively. For both types of cone injections, the inputs are as follows: position Set the coordinates of the origin of the spray cone in the X-, Y-, and Z-Position elds. diameter Set the diameter of the particles in the stream in the Diameter eld. temperature Set the temperature of the streams in the Temperature eld. axis Set the x, y, and z components of the vector dening the cones axis in the X-Axis, Y-Axis, and Z-Axis elds. velocity Set the velocity magnitude of the particle streams that will be oriented along the specied spray cone angle in the Velocity Mag. eld. cone angle Set the included half-angle, , of the hollow spray cone in the Cone Angle eld, as shown in Figure 22.12.6.
r origin axis
Figure 22.12.6: Cone Half Angle and Radius
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radius A nonzero inner radius can be specied to model injectors that do not emanate from a single point. Set the radius r (dened as shown in Figure 22.12.6) in the Radius eld. The particles will be distributed about the axis with the specied radius. swirl fraction (hollow cone only) Set the fraction of the velocity magnitude to go into the swirling component of the ow in the Swirl Fraction eld. The direction of the swirl component is dened using the right-hand rule about the axis (a negative value for the swirl fraction can be used to reverse the swirl direction). mass ow rate For coupled calculations, set the total mass ow rate for the streams in the spray cone in the Total Flow Rate eld. The distribution of the particle streams for the solid cone injection is random, as seen in Figure 22.12.3. Furthermore, duplicating this injection may not necessarily result in the same distribution, at the same location.
For transient calculations, the spatial distribution of streams at the initial injection location is recalculated at each time step. Sampling dierent possible trajectories allows a more accurate representation of a solid cone using fewer computational parcels. For steady state calculations, the trajectories are initialized one time and kept the same for subsequent DPM iterations. The trajectories are recalculated when a change in the injection panel occurs or when a case and data le are saved. If the residuals and solution change when a small change is made to the injection or when a case and data le are saved, it may mean that there are not enough trajectories being used to represent the solid cone with sucient accuracy.
Note that you may want to dene multiple spray cones emanating from the same initial location in order to specify a size known distribution of the spray or to include a known range of cone angles.
Point Properties for Surface Injections

For surface injections, you will dene all the properties described in Section 22.12.1: Point Properties for Single Injections for single injections except for the initial position of the particle streams. The initial positions of the particles will be the location of the data points on the specied surface(s). Note that you will set the Total Flow Rate of all particles released from the surface (required for coupled calculations only). If you want, you can scale the individual mass ow rates of the particles by the ratio of the area of
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the face they are released from to the total area of the surface. To scale the mass ow rates, select the Scale Flow Rate By Face Area option under Point Properties. Note that many surfaces have nonuniform distributions of points. If you want to generate a uniform spatial distribution of particle streams released from a surface in 3D, you can create a bounded plane surface with a uniform distribution using the Plane Surface panel, as described in Section 27.6: Plane Surfaces. In 2D, you can create a rake using the Line/Rake Surface panel, as described in Section 27.5: Line and Rake Surfaces. In addition to the option of scaling the ow rate by the face area, the normal direction of a face can be used for the injection direction. To use the face normal direction for the injection direction, select the Inject Using Normal Direction option under Point Properties (Figure 22.12.9). Once this option is selected, you only need to specify the velocity magnitude of the injection, not the individual components of the velocity magnitude.
Note also that only surface injections from boundary surfaces will be moved with the grid when a sliding mesh or a moving or deforming mesh is being used.
A nonuniform size distribution can be used for surface injections, as described below. Using the Rosin-Rammler Diameter Distribution Method The Rosin-Rammler size distributions described in Section 22.12.1: Using the RosinRammler Diameter Distribution Method for group injections is also available for surface injections. If you select one of the Rosin-Rammler distributions, you will need to specify the following parameters under Point Properties, in addition to the initial velocity, temperature, and total ow rate: Min. Diameter This is the smallest diameter to be considered in the size distribution. Max. Diameter This is the largest diameter to be considered in the size distribution. Mean Diameter This is the size parameter, d, in the Rosin-Rammler equation (Equation 22.12-3). Spread Parameter This is the exponential parameter, n, in Equation 22.12-3. Number of Diameters This is the number of diameters in each distribution (i.e., the number of dierent diameters in the stream injected from each face of the surface).
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FLUENT will inject streams of particles from each face on the surface, with diameters dened by the Rosin-Rammler distribution function. The total number of injection streams tracked for the surface injection will be equal to the number of diameters in each distribution (Number of Diameters) multiplied by the number of faces on the surface.
Point Properties for Plain-Orice Atomizer Injections

For a plain-orice atomizer injection, you will dene the following initial conditions under Point Properties: position Set the x, y, and z positions of the injected stream along the Cartesian axes of the problem geometry in the X-Position, Y-Position, and Z-Position elds. (Z-Position will appear only for 3D problems). axis (3D only) Set the x, y, and z components of the vector dening the axis of the orice in the X-Axis, Y-Axis, and Z-Axis elds. temperature Set the temperature of the streams in the Temperature eld. mass ow rate Set the mass ow rate for the streams in the atomizer in the Flow Rate eld. Note that in 3D sectors, the ow rate must be appropriate for the sector dened by the Azimuthal Start Angle and Azimuthal Stop Angle. duration of injection For unsteady particle tracking (see Section 22.11.2: Steady/Transient Treatment of Particles), set the starting and ending time for the injection in the Start Time and Stop Time elds. vapor pressure Set the vapor pressure governing the ow through the internal orice (pv in Table 22.8.1) in the Vapor Pressure eld. diameter Set the diameter of the orice in the Injector Inner Diam. eld (d in Table 22.8.1). orice length Set the length of the orice in the Orice Length eld (L in Table 22.8.1).
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radius of curvature Set the radius of curvature of the inlet corner in the Corner Radius of Curv. eld (r in Table 22.8.1). nozzle parameter Set the constant for the spray angle correlation in the Constant A eld (CA in Equation 22.8-17). azimuthal angles For 3D sectors, set the Azimuthal Start Angle and Azimuthal Stop Angle. See Section 22.8.1: The Plain-Orice Atomizer Model for details about how these inputs are used.
Point Properties for Pressure-Swirl Atomizer Injections

For a pressure-swirl atomizer injection, you will specify some of the same properties as for a plain-orice atomizer. In addition to the position, axis (if 3D), temperature, mass ow rate, duration of injection (if unsteady), injector inner diameter, and azimuthal angles (if relevant) described in Section 22.12.1: Point Properties for Plain-Orice Atomizer Injections, you will need to specify the following parameters under Point Properties: spray angle Set the value of the spray angle of the injected stream in the Spray Half Angle eld ( in Equation 22.8-26). pressure Set the absolute pressure upstream of the injection in the Upstream Pressure eld (p1 in Table 22.8.1). sheet breakup Set the value of the empirical constant that determines the length of the ligaments b that are formed after sheet breakup in the Sheet Constant eld (ln( 0 ) in Equation 22.8-31). ligament diameter For short waves, set the proportionality constant that linearly relates the ligament diameter, dL , to the wavelength that breaks up the sheet in the Ligament Constant eld (see Equations 22.8-3222.8-35). See Section 22.8.2: The Pressure-Swirl Atomizer Model for details about how these inputs are used.
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Point Properties for Air-Blast/Air-Assist Atomizer Injections

For an air-blast/air-assist atomizer, you will specify some of the same properties as for a plain-orice atomizer. In addition to the position, axis (if 3D), temperature, mass ow rate, duration of injection (if unsteady), injector inner diameter, and azimuthal angles (if relevant) described in Section 22.12.1: Point Properties for Plain-Orice Atomizer Injections, you will need to specify the following parameters under Point Properties: outer diameter Set the outer diameter of the injector in the Injector Outer Diam. eld. This value is used in conjunction with the Injector Inner Diam. to set the thickness of the liquid sheet (t in Equation 22.8-23). spray angle Set the initial trajectory of the lm as it leaves the end of the orice in the Spray Half Angle eld ( in Equation 22.8-26). relative velocity Set the maximum relative velocity that is produced by the sheet and air in the Relative Velocity eld. sheet breakup Set the value of the empirical constant that determines the length of the ligaments b that are formed after sheet breakup in the Sheet Constant eld (ln( 0 ) in Equation 22.8-31). ligament diameter For short waves, set the proportionality constant (CL in Equation 22.8-34) that linearly relates the ligament diameter, dL , to the wavelength that breaks up the sheet in the Ligament Constant eld. See Section 22.8.3: The Air-Blast/Air-Assist Atomizer Model for details about how these inputs are used.
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Point Properties for Flat-Fan Atomizer Injections

The at-fan atomizer model is available only for 3D models. For this type of injection, you will dene the following initial conditions under Point Properties: arc position Set the coordinates of the center point of the arc from which the fan originates in the X-Center, Y-Center, and Z-Center elds (see Figure 22.8.6). virtual position Set the coordinates of the virtual origin of the fan in the X-Virtual Origin, Y-Virtual Origin, and Z-Virtual Origin elds. This point is the intersection of the lines that mark the sides of the fan (see Figure 22.8.6). normal vector Set the direction that is normal to the fan in the X-Fan Normal Vector, Y-Fan Normal Vector, and Z-Fan Normal Vector elds. temperature Set the temperature of the streams in the Temperature eld. mass ow rate Set the mass ow rate for the streams in the atomizer in the Flow Rate eld. duration of injection For unsteady particle tracking (see Section 22.11.2: Steady/Transient Treatment of Particles), set the starting and ending time for the injection in the Start Time and Stop Time elds. spray half angle Set the initial half angle of the drops as they leave the end of the orice in the Spray Half Angle eld. orice width Set the width of the orice (in the normal direction) in the Orice Width eld. sheet breakup Set the value of the empirical constant that determines the length of the ligaments that are formed after sheet breakup in the Flat Fan Sheet Constant eld (see Equation 22.8-31). See Section 22.8.4: The Flat-Fan Atomizer Model for details about how these inputs are used.
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Point Properties for Effervescent Atomizer Injections

For an eervescent atomizer injection, you will specify some of the same properties as for a plain-orice atomizer. In addition to the position, axis (if 3D), temperature, mass ow rate (including both ashing and nonashing components), duration of injection (if unsteady), vapor pressure, injector inner diameter, and azimuthal angles (if relevant) described in Section 22.12.1: Point Properties for Plain-Orice Atomizer Injections, you will need to specify the following parameters under Point Properties: mixture quality Set the mass fraction of the injected mixture that vaporizes in the Mixture Quality eld (x in Equation 22.8-41). saturation temperature Set the saturation temperature of the volatile substance in the Saturation Temp. eld. droplet dispersion Set the parameter that controls the spatial dispersion of the droplet sizes in the Dispersion Constant eld (Ce in Equation 22.8-41). spray angle Set the initial trajectory of the lm as it leaves the end of the orice in the Maximum Half Angle eld. See Section 22.8.5: The Eervescent Atomizer Model for details about how these inputs are used.
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22.12.2
Particle Types
When you dene a set of initial conditions (as described in Section 22.12.4: Dening Injection Properties), you will need to specify the type of particle. The particle types available to you depend on the range of physical models that you have dened in the Models family of panels. An inert particle is a discrete phase element (particle, droplet, or bubble) that obeys the force balance (Equation 22.2-1) and is subject to heating or cooling via Law 1 (Section 22.9.2: Inert Heating or Cooling (Law 1/Law 6)). The inert type is available for all FLUENT models. A droplet particle is a liquid droplet in a continuous-phase gas ow that obeys the force balance (Equation 22.2-1) and that experiences heating/cooling via Law 1 followed by vaporization and boiling via Laws 2 and 3 (Section 22.9.2: Droplet Vaporization (Law 2) and Section 22.9.2: Droplet Boiling (Law 3)). The droplet type is available when heat transfer is being modeled and at least two chemical species are active or the nonpremixed or partially premixed combustion model is active. You should use the ideal gas law to dene the gas-phase density (in the Materials panel, as discussed in Section 8.3.5: Density Inputs for the Incompressible Ideal Gas Law) when you select the droplet type. A combusting particle is a solid particle that obeys the force balance (Equation 22.2-1) and experiences heating/cooling via Law 1 followed by devolatilization via Law 4 (Section 22.9.2: Devolatilization (Law 4)), and a heterogeneous surface reaction via Law 5 (Section 22.9.2: Surface Combustion (Law 5)). Finally, the nonvolatile portion of a combusting particle is subject to inert heating via Law 6. You can also include an evaporating material with the combusting particle by selecting the Wet Combustion option in the Set Injection Properties panel. This allows you to include a material that evaporates and boils via Laws 2 and 3 (Section 22.9.2: Droplet Vaporization (Law 2) and Section 22.9.2: Droplet Boiling (Law 3)) before devolatilization of the particle material begins. The combusting type is available when heat transfer is being modeled and at least three chemical species are active or the nonpremixed combustion model is active. You should use the ideal gas law to dene the gas-phase density (in the Materials panel) when you select the combusting particle type. A multicomponent particle is, as the name implies, a mixture of droplet particles. These particles contain more than one component, which due to its complexity of assigning a whole particle to one process, have to be modeled by a law that integrates all processes of relevance in one equation. Law 7, the multicomponent law (Section 22.9.2: Multicomponent Particle Denition (Law 7)) is used for such systems. You should use the volume weighted mixing law to dene the particle mixture density (in the Materials panel) when you select the particle-mixture material type.
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22.12.3
Creating, Modifying, Copying, Deleting, and Listing Injections
You will use the Injections panel (Figure 22.12.7) to create, copy, delete, and list injections. Dene Injections...
Figure 22.12.7: The Injections Panel
(You can also click on the Injections... button in the Discrete Phase Model panel to open the Injections panel.)
Creating Injections
To create an injection, click on the Create button. A new injection will appear in the Injections list and the Set Injection Properties panel will open automatically to allow you to set the injection properties (as described in Section 22.12.4: Dening Injection Properties).
Modifying Injections
To modify an existing injection, select its name in the Injections list and click on the Set... button. The Set Injection Properties panel will open, and you can modify the properties as needed. If you have two or more injections for which you want to set some of the same properties, select their names in the Injections list and click on the Set... button. The Set Multiple Injection Properties panel will open, which will allow you to set the common properties.
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For instructions about using this panel, see Section 22.12.7: Dening Properties Common to More than One Injection.
Copying Injections
To copy an existing injection to a new injection, select the existing injection in the Injections list and click on the Copy button. The Set Injection Properties panel will open with a new injection that has the same properties as the injection you selected. This is useful if you want to set another injection with similar properties.
Deleting Injections
You can delete an injection by selecting its name in the Injections list and clicking on the Delete button.
Listing Injections
To list the initial conditions for the particle streams in the selected injection, click on the List button. FLUENT reports the initial conditions (in SI units) in the console under various columns: The particle stream number is in the column headed NO. The particle type (IN for inert, DR for droplet, or CP for combusting particle) is in the column headed TYP. The x, y, and z positions are in the columns headed (X), (Y), and (Z). The x, y, and z velocities are in the columns headed (U), (V), and (W). The temperature is in the column headed (T). The diameter is in the column headed (DIAM). The mass ow rate in the column headed (MFLOW).
Shortcuts for Selecting Injections

FLUENT provides a shortcut for selecting injections with names that match a specied pattern. To use this shortcut, enter the pattern under Injection Name Pattern and then click Match to select the injections with names that match the specied pattern. For example, if you specify drop*, all injections that have names beginning with drop (e.g., drop-1, droplet) will be selected automatically. If they are all selected already, they will be deselected. If you specify drop?, all surfaces with names consisting of drop followed by a single character will be selected (or deselected, if they are all selected already).
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22.12.4
Dening Injection Properties
Once you have created an injection (using the Injections panel, as described in Section 22.12.3: Creating, Modifying, Copying, Deleting, and Listing Injections), you will use the Set Injection Properties panel (Figure 22.12.8) to dene the injection properties. (Remember that this panel will open when you create a new injection, or when you select an existing injection and click on the Set... button in the Injections panel.)
Figure 22.12.8: The Set Injection Properties Panel
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The procedure for dening an injection is as follows: 1. If you want to change the name of the injection from its default name, enter a new one in the Injection Name eld. This is recommended if you are dening a large number of injections so you can easily distinguish them. When assigning names to your injections, keep in mind the selection shortcut described in Section 22.12.3: Creating, Modifying, Copying, Deleting, and Listing Injections. 2. Choose the type of injection in the Injection Type drop-down list. The eleven choices (single, group, cone, solid-cone, surface, plain-orice-atomizer, pressure-swirl-atomizer, air-blast-atomizer, at-fan-atomizer, eervescent-atomizer, and le) are described in Section 22.12.1: Injection Types. Note that if you select any of the atomizer models, you will also need to set the Viscosity and Droplet Surface Tension in the Materials panel.
If you are using sliding or moving/deforming meshes in your simulation, you should not use surface injections because they are not compatible with moving meshes.
3. If you are dening a single injection, go to the next step. For a group, cone, solidcone, or any of the atomizer injections, set the Number of Particle Streams in the group, spray cone, or atomizer. If you are dening a surface injection (see Figure 22.12.9), choose the surface(s) from which the particles will be released in the Release From Surfaces list. If you are reading the injection from a le, click on the File... button at the bottom of the Set Injection Properties panel and specify the le to be read in the resulting Select File dialog box. The parameters in the injection le must be in SI units.
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Figure 22.12.9: Setting Surface Injection Properties
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4. Select Inert, Droplet, Combusting, or Multicomponent as the Particle Type. The available types are described in Section 22.12.2: Particle Types. 5. Choose the material for the particle(s) in the Material drop-down list. If this is the rst time you have created a particle of this type, you can choose from all of the materials of this type dened in the database. If you have already created a particle of this type, the only available material will be the material you selected for that particle. You can dene additional materials by copying them from the database or creating them from scratch, as discussed in Section 22.14.2: Setting Discrete-Phase Physical Properties and described in detail in Section 8.1.2: Using the Materials Panel. 6. If you are dening a group or surface injection and you want to change from the default linear (for group injections) or uniform (for surface injections) interpolation method used to determine the size of the particles, select rosin-rammler or rosin-rammler-logarithmic in the Diameter Distribution drop-down list. The RosinRammler method for determining the range of diameters for a group injection is described in Section 22.12.1: Using the Rosin-Rammler Diameter Distribution Method. 7. If you have created a customized particle law using user-dened functions, turn on the Custom option under Laws and specify the appropriate laws as described in Section 22.12.6: Custom Particle Laws. 8. If your particle type is Inert, go to the next step. If you are dening Droplet particles, select the gas phase species created by the vaporization and boiling laws (Laws 2 and 3) in the Evaporating Species drop-down list. If you are dening Combusting particles, select the gas phase species created by the devolatilization law (Law 4) in the Devolatilizing Species drop-down list, the gas phase species that participates in the surface char combustion reaction (Law 5) in the Oxidizing Species list, and the gas phase species created by the surface char combustion reaction (Law 5) in the Product Species list. Note that if the Combustion Model for the selected combusting particle material (in the Materials panel) is the multiple-surface-reaction model, then the Oxidizing Species and Product Species lists will be disabled because the reaction stoichiometry has been dened in the mixture material. If you are dening Multicomponent particles, law 7 will go into eect. Notice that the Components tab will become active when this particle type is selected. See below for information on the Components tab.
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9. Click the Point Properties tab (the default), and specify the point properties (position, velocity, diameter, temperature, andif appropriatemass ow rate and any atomizer-related parameters) as described for each injection type in Sections 22.12.1 22.12.1. For surface injections, you can enable the Scale Flow Rate by Face Area and you can choose the injection direction. To use the face normal direction for the injection direction, select the Inject Using Normal Direction option under Point Properties (Figure 22.12.9). Once this option is selected, you only need to specify the velocity magnitude of the injection, not the individual components of the velocity magnitude. 10. If the ow is turbulent and you wish to include the eects of turbulence on the particle dispersion, click the Turbulent Dispersion tab, turn on the Stochastic Model or the Cloud Model, and set the related parameters as described in Section 22.12.5: Modeling Turbulent Dispersion of Particles. 11. If your combusting particle includes an evaporating material, click the Wet Combustion tab, select the Wet Combustion option, and then select the material that is evaporating/boiling from the particle before devolatilization begins in the Liquid Material drop-down list. You should also set the volume fraction of the liquid present in the particle by entering the value of the Liquid Fraction. Finally, select the gas phase species created by the evaporating and boiling laws in the Evaporating Species drop-down list in the top part of the panel. 12. If you include multicomponent droplets as the material in your discrete phase model, a Components tab will become active. In this tab, you will specify the Mass Fraction of each of the components. Note that the sum of the Mass fractions should add up to unity, otherwise FLUENT will adjust the values such that you have a sum of 1 for the mass fraction, and will prompt you to accept the entry. Under Vaporized Species, select not-vaporizing if the component in the particle does not vaporize. Otherwise, select from the Vaporized Species drop-down list the species that will be vaporized. To change the components of a multicomponent droplet, copy the droplet materials from the Fluent Database Materials panel, or dene the droplet materials in the Materials panel, then add them to the Selected Species list in the Species panel by clicking the Edit... button (in the Materials panel) next to Mixture Species. 13. If you want to use a user-dened function to initialize the injection properties, click the UDF tab to access the UDF inputs. You can select an Initialization function under User-Dened Functions to modify injection properties at the time the particles are injected into the domain. This allows the position and/or properties of the injection to be set as a function of ow conditions. See the separate UDF Manual for information about user-dened functions.
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22.12.5
Modeling Turbulent Dispersion of Particles
As mentioned in Section 22.12.4: Dening Injection Properties, you can choose for each injection stochastic tracking or cloud tracking as the method for modeling turbulent dispersion of particles.
Stochastic Tracking
For turbulent ows, if you choose to use the stochastic tracking technique, you must enable it and specify the number of tries. Stochastic tracking includes the eect of turbulent velocity uctuations on the particle trajectories using the DRW model described in Section 22.2.2: Stochastic Tracking. 1. Click the Turbulent Dispersion tab in the Set Injection Properties panel. 2. Enable stochastic tracking by turning on the Stochastic Model under Stochastic Tracking. 3. Specify the Number Of Tries: An input of zero tells FLUENT to compute the particle trajectory based on the mean continuous phase velocity eld (Equation 22.2-1), ignoring the eects of turbulence on the particle trajectories. An input of 1 or greater tells FLUENT to include turbulent velocity uctuations in the particle force balance as in Equation 22.2-20. The trajectory is computed more than once if your input exceeds 1: two trajectory calculations are performed if you input 2, three trajectory calculations are performed if you input 3, etc. Each trajectory calculation includes a new stochastic representation of the turbulent contributions to the trajectory equation. When a sucient number of tries is requested, the trajectories computed will include a statistical representation of the spread of the particle stream due to turbulence. Note that for unsteady particle tracking, the Number of Tries is set to 1 if Stochastic Tracking is enabled.
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If you want the characteristic lifetime of the eddy to be random (Equation 22.2-31), enable the Random Eddy Lifetime option. You will generally not need to change the Time Scale Constant (CL in Equation 22.2-22) from its default value of 0.15, unless you are using the Reynolds Stress turbulence model (RSM), in which case a value of 0.3 is recommended. Figure 22.12.10 illustrates a discrete phase trajectory calculation computed via the mean tracking (number of tries = 0) and Figure 22.12.11 illustrates the stochastic tracking (number of tries > 1) option. When multiple stochastic trajectory calculations are performed, the momentum and mass dened for the injection are divided evenly among the multiple particle/droplet tracks, and are thus spread out in terms of the interphase momentum, heat, and mass transfer calculations. Including turbulent dispersion in your model can thus have a signicant impact on the eect of the particles on the continuous phase when coupled calculations are performed.
3.04e-02 2.84e-02 2.63e-02 2.43e-02 2.23e-02 2.03e-02 1.82e-02 1.62e-02 1.42e-02 1.22e-02 1.01e-02 8.10e-03 6.08e-03 4.05e-03 2.03e-03 0.00e+00
Particle Traces Colored by Particle Time (s)
Figure 22.12.10: Mean Trajectory in a Turbulent Flow
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3.00e-02 2.80e-02 2.60e-02 2.40e-02 2.20e-02 2.00e-02 1.80e-02 1.60e-02 1.40e-02 1.20e-02 1.00e-02 8.00e-03 6.00e-03 4.00e-03 2.00e-03 0.00e+00
Particle Traces Colored by Particle Time (s)
Figure 22.12.11: Stochastic Trajectories in a Turbulent Flow
Cloud Tracking
For turbulent ows, you can also include the eects of turbulent dispersion on the injection. When cloud tracking is used, the trajectory will be tracked as a cloud of particles about a mean trajectory, as described in Section 22.2.2: Particle Cloud Tracking. 1. Click the Turbulent Dispersion tab in the Set Injection Properties panel. 2. Enable cloud tracking by turning on the Cloud Model under Cloud Tracking. 3. Specify the minimum and maximum cloud diameters. Particles enter the domain with an initial cloud diameter equal to the Min. Cloud Diameter. The particle clouds maximum allowed diameter is specied by the Max. Cloud Diameter. You may want to restrict the Max. Cloud Diameter to a relevant length scale for the problem to improve computational eciency in complex domains where the mean trajectory may become stuck in recirculation regions.
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22.12.6
Custom Particle Laws
If the standard FLUENT laws, Laws 1 through 7, do not adequately describe the physics of your discrete phase model, you can modify them by creating custom laws with userdened functions. See the separate UDF Manual for information about user-dened functions. You can also create custom laws by using a subset of the existing FLUENT laws (e.g., Laws 1, 2, and 4), or a combination of existing laws and user-dened functions. Once you have dened and loaded your user-dened function(s), you can create a custom law by enabling the Custom option under Laws in the Set Injection Properties panel. This will open the Custom Laws panel. In the drop-down list to the left of each of the six particle laws, you can select the appropriate particle law for your custom law. Each list contains the available options that can be chosen (the standard laws plus any user-dened functions you have loaded).
Figure 22.12.12: The Custom Laws Panel
There is a seventh drop-down list in the Custom Laws panel labeled Switching. You may wish to have FLUENT vary the laws used depending on conditions in the model. You can customize the way FLUENT switches between laws by selecting a user-dened function from this drop-down list. An example of when you might want to use a custom law might be to replace the standard devolatilization law with a specialized devolatilization law that more accurately describes some unique aspects of your model. After creating and loading a user-dened function that details the physics of your devolatilization law, you would visit the Custom Laws panel and replace the standard devolatilization law (Law 2) with your user-dened function.
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22.12.7
Dening Properties Common to More than One Injection
If you have a number of injections for which you want to set the same properties, FLUENT provides a shortcut so that you do not need to visit the Set Injection Properties panel for each injection to make the same changes. As described in Section 22.12.4: Dening Injection Properties, if you select more than one injection in the Injections panel, clicking the Set... button will open the Set Multiple Injection Properties panel (Figure 22.12.13) instead of the Set Injection Properties panel.
Figure 22.12.13: The Set Multiple Injection Properties Panel
Depending on the type of injections you have selected (single, group, atomizers, etc.), there will be dierent categories of properties listed under Injections Setup. The names of these categories correspond to the headings within the Set Injection Properties panel (e.g., Particle Type and Stochastic Tracking). Only those categories that are appropriate for all of your selected injections (which are shown in the Injections list) will be listed. If all of these injections are of the same type, more categories of properties will be available for you to modify. If the injections are of dierent types, you will have fewer categories to select from.
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Modifying Properties
To modify a property, perform the following steps: 1. Select the appropriate category in the Injections Setup list. For example, if you want to set the same ow rate for all of the selected injections, select Point Properties. The panel will expand to show the properties that appear under that heading in the Set Injection Properties panel. 2. Set the property (or properties) to be modied, as described below. 3. Click Apply. FLUENT will report the change in the console window.
You must click Apply to save the property settings within each category. If, for example, you want to modify the ow rate and the stochastic tracking parameters, you will need to select Point Properties in the Injections Setup list, specify the ow rate, and click Apply. You would then repeat the process for the stochastic tracking parameters, clicking Apply again when you are done.
There are two types of properties that can be modied using the Set Multiple Injection Properties panel. The rst type involves one of the following actions: selecting a value from a drop-down list choosing an option using a radio button The second type involves one of the following actions: entering a value in a eld turning an option on or o Setting the rst type of property works the same way as in the Set Injection Properties panel. For example, if you select Particle Type in the Injections Setup list, the panel will expand to show the portion of the Set Injection Properties panel where you choose the particle type. You can simply choose the desired type and click Apply. Setting the second type of property requires an additional step. If you select a category in the Injections Setup list that contains this type of property, the expanded portion of the panel will look like the corresponding part of the Set Injection Properties panel, with the addition of Modify check buttons (see Figure 22.12.13). To change one of the properties,
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rst turn on the Modify check button to its left, and then specify the desired status or value. For example, if you would like to enable stochastic tracking, rst turn on the Modify check button to the left of Stochastic Model. This will make the property active so you can modify its status. Then, under Property, turn on the Stochastic Model check button. (Be sure to click Apply when you are done setting stochastic tracking parameters.) If you would like to change the value of Number of Tries, select the Modify check button to its left to make it active, and then enter the new value in the eld. Make sure you click Apply when you have nished modifying the stochastic tracking properties.
The setting for a property that has not been activated with the Modify check button is not relevant, because it will not be applied to the selected injections when you click Apply. After you turn on Modify for a particular property, clicking Apply will modify that property for all of the selected injections, so make sure that you have the settings the way that you want them before you do this. If you make a mistake, you will have to return to the Set Injection Properties panel for each injection to x the incorrect setting, if it is not possible to do so in the Set Multiple Injection Properties panel.
Modifying Properties Common to a Subset of Selected Injections

Note that it is possible to change a property that is relevant for only a subset of the selected injections. For example, if some of the selected injections are using stochastic tracking and some are not, enabling the Random Eddy Lifetime option and clicking Apply will turn this option on only for those injections that are using stochastic tracking. The other injections will be unaected.
22.13
Setting Boundary Conditions for the Discrete Phase
When a particle reaches a physical boundary (e.g., a wall or inlet boundary) in your model, FLUENT applies a discrete phase boundary condition to determine the fate of the trajectory at that boundary. The boundary condition, or trajectory fate, can be dened separately for each zone in your FLUENT model.
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22.13 Setting Boundary Conditions for the Discrete Phase
22.13.1
Discrete Phase Boundary Condition Types
The available boundary conditions, as noted in Section 22.10: Discrete Phase Model (DPM) Boundary Conditions, include the following: reect The particle rebounds the o the boundary in question with a change in its momentum as dened by the coecient of restitution. (See Figure 22.13.1.)
V2,n coefcient of = V restitution 1,n
Figure 22.13.1: Reect Boundary Condition for the Discrete Phase
The normal coecient of restitution denes the amount of momentum in the direction normal to the wall that is retained by the particle after the collision with the boundary [365]: en = v2,n v1,n (22.13-1)
where vn is the particle velocity normal to the wall and the subscripts 1 and 2 refer to before and after collision, respectively. Similarly, the tangential coecient of restitution, et , denes the amount of momentum in the direction tangential to the wall that is retained by the particle. A normal or tangential coecient of restitution equal to 1.0 implies that the particle retains all of its normal or tangential momentum after the rebound (an elastic collision). A normal or tangential coecient of restitution equal to 0.0 implies that the particle retains none of its normal or tangential momentum after the rebound. Nonconstant coecients of restitution can be specied for wall zones with the reect type boundary condition. The coecients are set as a function of the impact angle, 1 , in Figure 22.13.1. Note that the default setting for both coecients of restitution is a constant value of 1.0 (all normal and tangential momentum retained).
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trap The trajectory calculations are terminated and the fate of the particle is recorded as trapped. In the case of evaporating droplets, their entire mass instantaneously passes into the vapor phase and enters the cell adjacent to the boundary. See Figure 22.13.2. In the case of combusting particles, the remaining volatile mass is passed into the vapor phase.
volatile fraction ashes to vapor 1
Figure 22.13.2: Trap Boundary Condition for the Discrete Phase
escape The particle is reported as having escaped when it encounters the boundary in question. Trajectory calculations are terminated. See Figure 22.13.3.
particle vanishes
Figure 22.13.3: Escape Boundary Condition for the Discrete Phase
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wall-jet The direction and velocity of the droplet particles are given by the resulting momentum ux, which is a function of the impingement angle, , and Weber number. See Figure 22.13.4.
y H()
x x side view top view
Figure 22.13.4: Wall Jet Boundary Condition for the Discrete Phase
The wall-jet type boundary condition assumes an analogy with an inviscid jet impacting a solid wall. Equation 22.13-2 shows the analytical solution for an axisymmetric impingement assuming an empirical function for the sheet height (H) as a function of the angle that the drop leaves the impingement (). H() = H e(1 )
(22.13-2)
where H is the sheet height at = and is a constant determined from conservation of mass and momentum. The probability that a drop leaves the impingement point at an angle between and + is given by integrating the expression for H() = ln[1 P (1 e )] (22.13-3)
where P is a random number between 0 and 1. The expression for is given in Naber and Reitz [257] as sin() = e + 1 (e 1)(1 + ( )2 ) (22.13-4)
The wall-jet type boundary condition is appropriate for high-temperature walls where no signicant liquid lm is formed, and in high-Weber-number impacts where the spray acts as a jet. The model is not appropriate for regimes where lm is important (e.g., port fuel injection in SI engines, rainwater runo, etc.).
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wall-lm This boundary condition consists of four regimes: stick, rebound, spread, and splash, which are based on the impact energy and wall temperature. Detailed information on the wall-lm model can be found in Section 22.4: Wall-Film Model Theory. interior This boundary condition means that the particles will pass through the internal boundary. This option is available only for internal boundary zones, such as a radiator or a porous jump. It is also possible to use a user-dened function to compute the behavior of the particles at a physical boundary. See the separate UDF Manual for information about user-dened functions. Because you can stipulate any of these conditions at ow boundaries, it is possible to incorporate mixed discrete phase boundary conditions in your FLUENT model. Discrete phase boundary conditions can be set for boundaries in the panels opened from the Boundary Conditions panel. When one or more injections have been dened, inputs for the discrete phase will appear in the panels (e.g., Figure 22.13.5). Select reect, trap, escape, wall-jet, or user-dened in the Boundary Cond. Type drop-down list under Discrete Phase Model Conditions. (In the Walls panel, you will need to click on the DPM tab to access the Discrete Phase Model Conditions.) If you select user-dened, you can select a user-dened function in the Boundary Cond. Function drop-down list. For internal boundary zones, such as a radiator or a porous jump, you can also choose an interior boundary condition. The interior condition means that the particles will pass through the internal boundary. If you select the reect type at a wall (only), you can dene a constant, polynomial, piecewise-linear, or piecewise-polynomial function for the Normal and Tangent coecients of restitution under Discrete Phase Reection Coecients. See Section 22.13.1: Discrete Phase Boundary Condition Types for details about the boundary condition types and the coecients of restitution. The panels for dening the polynomial, piecewise-linear, and piecewise-polynomial functions are the same as those used for dening temperaturedependent properties. See Section 8.2: Dening Properties Using Temperature-Dependent Functions for details.
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Figure 22.13.5: Discrete Phase Boundary Conditions in the Wall Panel
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Default Discrete Phase Boundary Conditions

FLUENT makes the following assumptions regarding boundary conditions: The reect type is assumed at wall, symmetry, and axis boundaries, with both coecients of restitution equal to 1.0 The escape type is assumed at all ow boundaries (pressure and velocity inlets, pressure outlets, etc.) The interior type is assumed at all internal boundaries (radiator, porous jump, etc.) The coecient of restitution can be modied only for wall boundaries.
22.13.2
Setting Particle Erosion and Accretion Parameters
If the Erosion/Accretion option is selected in the Discrete Phase Model panel, the erosion rate expression must be specied at the walls. The erosion rate is dened in Equation 22.5-1 as a product of the mass ux and specied functions for the particle diameter, impact angle, and velocity exponent. Under Erosion Model in the Wall panel, you can dene a constant, polynomial, piecewise-linear, or piecewise-polynomial function for the Impact Angle Function, Diameter Function, and Velocity Exponent Function (f (), C(dp ), and b(v) in Equation 22.5-1). See Sections 22.5 and 22.11.5 for a detailed description of these functions and Section 8.2: Dening Properties Using Temperature-Dependent Functions for details about using the panels for dening polynomial, piecewise-linear, and piecewise-polynomial functions.
22.14
Setting Material Properties for the Discrete Phase
In order to apply the physical models described in earlier sections to the prediction of the discrete phase trajectories and heat/mass transfer, FLUENT requires many physical property inputs.
22.14.1
Summary of Property Inputs
Tables 22.14.122.14.5 summarize which of these property inputs are used for each particle type and in which of the equations for heat and mass transfer each property input is used. Detailed descriptions of each input are provided in Section 22.14.2: Setting Discrete-Phase Physical Properties.
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22.14 Setting Material Properties for the Discrete Phase
Table 22.14.1: Property Inputs for Inert Particles
Property density specic heat particle emissivity particle scattering factor thermophoretic coecient
Symbol p in Eq. 22.2-1 cp in Eq. 22.9-11 p in Eq. 22.9-11 f in Eq. 13.3-13 DT,p in Eq. 22.2-14
Table 22.14.2: Property Inputs for Droplet Particles
Properties density specic heat thermal conductivity viscosity latent heat vaporization temperature boiling point volatile component fraction binary diusivity saturation vapor pressure heat of pyrolysis droplet surface tension particle emissivity particle scattering factor thermophoretic coecient
Symbol p in Eq. 22.2-1 cp in Eq. 22.9-25 kp in Eq. 22.2-15 in Eq. 22.7-11 hfg in Eq. 22.9-25 Tvap in Eq. 22.9-18 Tbp in Eq. 22.9-18, 22.9-26 fv0 in Eq. 22.9-19, 22.9-27 Di,m in Eq. 22.9-23 psat (T ) in Eq. 22.9-21 hpyrol in Eq. 22.9-2 in Eq. 22.8-19, 22.7-10 p in Eq. 22.9-25, 22.9-31 f in Eq. 13.3-13 DT,p in Eq. 22.2-14
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Table 22.14.3: Property Inputs for Combusting Particles (Laws 14)
Properties density specic heat latent heat vaporization temperature volatile component fraction swelling coecient burnout stoichiometric ratio combustible fraction heat of reaction for burnout fraction of reaction heat given to solid particle emissivity particle scattering factor thermophoretic coecient devolatilization model law 4, constant rate constant law 4, single rate pre-exponential factor activation energy law 4, two rates pre-exponential factors activation energies weighting factors law 4, CPD initial fraction of bridges in coal lattice initial fraction of char bridges lattice coordination number cluster molecular weight side chain molecular weight
Symbol p in Eq. 22.2-1 cp in Eq. 22.9-11 hfg in Eq. 22.9-2 Tvap = Tbp in Eq. 22.9-32 fv0 in Eq. 22.9-33 Csw in Eq. 22.9-65 Sb in Eq. 22.9-72 fcomb in Eq. 22.9-71 Hreac in Eq. 22.9-72 22.9-86 fh in Eq. 22.9-86 p in Eq. 22.9-66, 22.9-86 f in Eq. 13.3-13 DT,p in Eq. 22.2-14
A0 in Eq. 22.9-34 A1 in Eq. 22.9-35 E in Eq. 22.9-35 A1 , A2 in Eq. 22.9-38, 22.9-39 E1 , E2 in Eq. 22.9-38, 22.9-39 1 , 2 in Eq. 22.9-40 p0 in Eq. 22.9-51 c0 in Eq. 22.9-50 + 1 in Eq. 22.9-62 Mw,1 in Eq. 22.9-62 Mw, in Eq. 22.9-61
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Table 22.14.4: Property Inputs for Combusting Particles (Law 5)
Properties combustion model law 5, diusion rate binary diusivity law 5, diusion/kinetic rate mass diusion limited rate constant kinetics limited rate pre-exp. factor kinetics limited rate activ. energy law 5, intrinsic rate mass diusion limited rate constant kinetics limited rate pre-exp. factor kinetics limited rate activ. energy char porosity mean pore radius specic internal surface area tortuosity burning mode law 5, multiple surface reaction binary diusivity
Symbol
Di,m in Eq. 22.9-73 C1 in Eq. 22.9-74 C2 in Eq. 22.9-75 E in Eq. 22.9-75 C1 in Eq. 22.9-74 Ai in Eq. 22.9-84 Ei in Eq. 22.9-84 in Eq. 22.9-81 rp in Eq. 22.9-83 Ag in Eq. 22.9-78, 22.9-80 in Eq. 22.9-81 in Eq. 22.9-85 Di,m in Eq. 22.9-73
Table 22.14.5: Property Inputs for Multicomponent Particles (Law 7)
Property mixture species density specic heat thermal conductivity vapor particle equilibrium
Symbol selected droplets for components p in Eq. 22.2-1 cp in Eq. 22.9-89 kp in Eq. 22.2-15 Ci,s in Eq. 22.3-4
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22.14.2
Setting Discrete-Phase Physical Properties
The Concept of Discrete-Phase Materials

When you create a particle injection and dene the initial conditions for the discrete phase (as described in Section 22.12: Setting Initial Conditions for the Discrete Phase), you choose a particular material as the particles material. All particle streams of that material will have the same physical properties. Discrete-phase materials are divided into four categories, corresponding to the four types of particles available. These material types are inert-particle, droplet-particle, combustingparticle, and multicomponent-particle. Each material type will be added to the Material Type list in the Materials panel when an injection of that type of particle is dened (in the Set Injection Properties or Set Multiple Injection Properties panel, as described in Section 22.12: Setting Initial Conditions for the Discrete Phase). The rst time you create an injection of each particle type, you will be able to choose a material from the database, and this will become the default material for that type of particle. That is, if you create another injection of the same type of particle, your selected material will be used for that injection as well. You may choose to modify the predened properties for your selected particle material, if you want (as described in Section 8.1.2: Modifying Properties of an Existing Material). If you need only one set of properties for each type of particle, you need not dene any new materials; you can simply use the same material for all particles.
If you do not nd the material you want in the database, you can select a material that is close to the one you wish to use, and then modify the properties and give the material a new name, as described in Section 8.1.2: Creating a New Material. Note that a discrete-phase material type will not appear in the Material Type list in the Materials panel until you have dened an injection of that type of particles. This means, for example, that you cannot dene or modify any combusting-particle materials until you have dened a combusting particle injection (as described in Section 22.12: Setting Initial Conditions for the Discrete Phase).
For a particle-mixture material type, you will need to select the species in your mixture. To do this, click the Edit... button next to Mixture Species in the Materials panel. The Species panel will open, where you will include your Selected Species. The selected species will now be available in the Set Injection Properties panel, under the Components tab.
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Dening Additional Discrete-Phase Materials In many cases, a single set of physical properties (density, heat capacity, etc.) is appropriate for each type of discrete phase particle considered in a given model. Sometimes, however, a single model may contain two dierent types of inert, droplet, combusting particles, or multicomponent particles (e.g., heavy particles and gaseous bubbles or two dierent types of evaporating liquid droplets). In such cases, it is necessary to assign a dierent set of properties to the two (or more) dierent types of particles. This is easily accomplished by dening two or more inert, droplet, or combusting particle materials and using the appropriate one for each particle injection. You can dene additional discrete-phase materials either by copying them from the database or by creating them from scratch. See Section 8.1.2: Using the Materials Panel for instructions on using the Materials panel to perform these actions.
Recall that you must dene at least one injection (as described in Section 22.12: Setting Initial Conditions for the Discrete Phase) containing particles of a certain type before you will be able to dene additional materials for that particle type.
Description of the Properties

The properties that appear in the Materials panel vary depending on the particle type (selected in the Set Injection Properties or Set Multiple Injection Properties panel, as described in Sections 22.12.4 and 22.12.7) and the physical models you are using in conjunction with the discrete-phase model. Below, all properties you may need to dene for a discrete-phase material are listed. See Tables 22.14.122.14.4 to see which properties are dened for each type of particle. Density is the density of the particulate phase in units of mass per unit volume of the discrete phase. This density is the mass density and not the volumetric density. Since certain particles may swell during the trajectory calculations, your input is actually an initial density. Cp is the specic heat, cp , of the particle. The specic heat may be dened as a function of temperature by selecting one of the function types from the drop-down list to the right of Cp. See Section 8.2: Dening Properties Using Temperature-Dependent Functions for details about temperature-dependent properties. For multicomponent particles, it can be calculated as a mass-weighted value of the specic heat of the droplet component. Thermal Conductivity is the thermal conductivity of the particle. This input is specied in units of W/m-K in SI units or Btu/ft-h- F in British units and is treated as a constant by FLUENT.
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Latent Heat is the latent heat of vaporization, hfg , required for phase change from an evaporating liquid droplet (Equation 22.9-25) or for the evolution of volatiles from a combusting particle (Equation 22.9-66). This input is supplied in units of J/kg in SI units or of Btu/lbm in British units and is treated as a constant by FLUENT. For the droplet particle, the latent heat value at the boiling point temperature should be used. Thermophoretic Coecient is the coecient DT,p in Equation 22.2-14, and appears when the thermophoretic force (which is described in Section 22.2.1: Thermophoretic Force) is included in the trajectory calculation (i.e., when the Thermophoretic Force option is enabled in the Discrete Phase Model panel). The default is the expression developed by Talbot [366] (talbot-diusion-coe) and requires no input from you. You can also dene the thermophoretic coecient as a function of temperature by selecting one of the function types from the drop-down list to the right of Thermophoretic Coecient. See Section 8.2: Dening Properties Using TemperatureDependent Functions for details about temperature-dependent properties. Vaporization Temperature is the temperature, Tvap , at which the calculation of vaporization from a liquid droplet or devolatilization from a combusting particle is initiated by FLUENT. Until the particle temperature reaches Tvap , the particle is heated via Law 1, Equation 22.9-11. This temperature input represents a modeling decision rather than any physical characteristic of the discrete phase. Boiling Point is the temperature, Tbp , at which the calculation of the boiling rate equation (22.9-28) is initiated by FLUENT. When a droplet particle reaches the boiling point, FLUENT applies Law 3 and assumes that the droplet temperature is constant at Tbp . The boiling point denotes the temperature at which the particle law transitions from the vaporization law to the boiling law. Volatile Component Fraction (fv0 ) is the fraction of a droplet particle that may vaporize via Laws 2 and/or 3 (Section 22.9.2: Droplet Vaporization (Law 2)). For combusting particles, it is the fraction of volatiles that may be evolved via Law 4 (Section 22.9.2: Devolatilization (Law 4)). Binary Diusivity is the mass diusion coecient, Di,m , used in the vaporization law, Law 2 (Equation 22.9-23). This input is also used to dene the mass diusion of the oxidizing species to the surface of a combusting particle, Di,m , as given in Equation 22.9-73. (Note that the diusion coecient inputs that you supply for the continuous phase are not used for the discrete phase.) Saturation Vapor Pressure is the saturated vapor pressure, psat , dened as a function of temperature, which is used in the vaporization law, Law 2 (Equation 22.9-21). The saturated vapor pressure may be dened as a function of temperature by selecting one of the function types from the drop-down list to the right of its name. (See Section 8.2: Dening Properties Using Temperature-Dependent Functions for
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details about temperature-dependent properties.) In the case of unrealistic inputs, FLUENT restricts the range of Psat to between 0.0 and the operating pressure. Correct input of a realistic vapor pressure curve is essential for accurate results from the vaporization model. Heat of Pyrolysis is the heat of the instantaneous pyrolysis reaction, hpyrol , that the evaporating/boiling species may undergo when released to the continuous phase. This input represents the conversion of the evaporating species to lighter components during the evaporation process. The heat of pyrolysis should be input as a positive number for exothermic reaction and as a negative number for endothermic reaction. The default value of zero implies that the heat of pyrolysis is not considered. This input is used in Equation 22.9-2. Swelling Coecient is the coecient Csw in Equation 22.9-65, which governs the swelling of the coal particle during the devolatilization law, Law 4 (Section 22.9.2: Devolatilization (Law 4)). A swelling coecient of unity (the default) implies that the coal particle stays at constant diameter during the devolatilization process. Burnout Stoichiometric Ratio is the stoichiometric requirement, Sb , for the burnout reaction, Equation 22.9-72, in terms of mass of oxidant per mass of char in the particle. Combustible Fraction is the mass fraction of char, fcomb , in the coal particle, i.e., the fraction of the initial combusting particle that will react in the surface reaction, Law 5 (Equation 22.9-71). Heat of Reaction for Burnout is the heat released by the surface char combustion reaction, Law 5 (Equation 22.9-72). This parameter is input in terms of heat release (e.g., Joules) per unit mass of char consumed in the surface reaction. React. Heat Fraction Absorbed by Solid is the parameter fh (Equation 22.9-86), which controls the distribution of the heat of reaction between the particle and the continuous phase. The default value of zero implies that the entire heat of reaction is released to the continuous phase. Devolatilization Model denes which version of the devolatilization model, Law 4, is being used. If you want to use the default constant rate devolatilization model, Equation 22.9-34, retain the selection of constant in the drop-down list to the right of Devolatilization Model and input the rate constant A0 in the eld below the list. You can activate one of the optional devolatilization models (the single kinetic rate, two kinetic rates, or CPD model, as described in Section 22.9.2: Devolatilization (Law 4)) by choosing single rate, two-competing-rates, or cpd-model in the drop-down list.
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When the single kinetic rate model (single-rate) is selected, the Single Rate Devolatilization Model panel will appear and you will enter the Pre-exponential Factor, A1 , and the Activation Energy, E, to be used in Equation 22.9-36 for the computation of the kinetic rate. When the two competing rates model (two-competing-rates) is selected, the Two Competing Rates Model panel will appear and you will enter, for the First Rate and the Second Rate, the Pre-exponential Factor (A1 in Equation 22.9-38 and A2 in Equation 22.9-39), Activation Energy (E1 in Equation 22.9-38 and E2 in Equation 22.9-39), and Weighting Factor (1 and 2 in Equation 22.9-40). The constants you input are used in Equations 22.9-38 through 22.9-40. When the CPD model (cpd-model) is selected, the CPD Model panel will appear and you will enter the Initial Fraction of Bridges in Coal Lattice (p0 in Equation 22.9-51), Initial Fraction of Char Bridges (c0 in Equation 22.9-50), Lattice Coordination Number ( + 1 in Equation 22.9-62), Cluster Molecular Weight (Mw,1 in Equation 22.9-62), and Side Chain Molecular Weight (Mw, in Equation 22.9-61). Note that the Single Rate Devolatilization Model, Two Competing Rates Model, and CPD Model panels are modal panels, which means that you must tend to them immediately before continuing the property denitions. Combustion Model denes which version of the surface char combustion law (Law 5) is being used. If you want to use the default diusion-limited rate model, retain the selection of diusion-limited in the drop-down list to the right of Combustion Model. No additional inputs are necessary, because the binary diusivity dened above will be used in Equation 22.9-73. To use the kinetics/diusion-limited rate model for the surface combustion model, select kinetics/diusion-limited in the drop-down list. The Kinetics/Diusion-Limited Combustion Model panel will appear and you will enter the Mass Diusion Limited Rate Constant (C1 in Equation 22.9-74), Kinetics Limited Rate Pre-exponential Factor (C2 in Equation 22.9-75), and Kinetics Limited Rate Activation Energy (E in Equation 22.9-75). Note that the Kinetics/Diusion-Limited Combustion Model panel is a modal panel, which means that you must tend to it immediately before continuing the property denitions. To use the intrinsic model for the surface combustion model, select intrinsic-model in the drop-down list. The Intrinsic Combustion Model panel will appear and you will enter the Mass Diusion Limited Rate Constant (C1 in Equation 22.9-74), Kinetics Limited Rate Pre-exponential Factor (Ai in Equation 22.9-84), Kinetics Limited Rate Activation Energy (Ei in Equation 22.9-84), Char Porosity ( in Equation 22.9-81), Mean Pore Radius (rp in Equation 22.9-83), Specic Internal Surface Area (Ag in Equations 22.9-78 and 22.9-80), Tortuosity ( in Equation 22.9-81), and Burning Mode, alpha ( in Equation 22.9-85).
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Note that the Intrinsic Combustion Model panel is a model panel, which means that you must tend to it immediately before continuing the property denitions. To use the multiple surface reactions model, select multiple-surface-reactions in the drop-down list. FLUENT will display a dialog box informing you that you will need to open the Reactions panel, where you can review or modify the particle surface reactions that you specied as described in Section 14.1.2: Overview of User Inputs for Modeling Species Transport and Reactions.
If you have not yet dened any particle surface reactions, you must be sure to dene them now. See Section 14.3.3: Using the Multiple Surface Reactions Model for Discrete-Phase Particle Combustion for more information about using the multiple surface reactions model.
You will notice that the Burnout Stoichiometric Ratio and Heat of Reaction for Burnout are no longer available in the Materials panel, as these parameters are now computed from the particle surface reactions you dened in the Reactions panel. Note that the multiple surface reactions model is available only if the Particle Surface option for Reactions is enabled in the Species Model panel. See Section 14.3.2: User Inputs for Particle Surface Reactions for details. When the eect of particles on radiation is enabled (for the P-1 or discrete ordinates radiation model only) in the Discrete Phase Model panel, you will need to dene the following additional parameters: Particle Emissivity is the emissivity of particles in your model, p , used to compute radiation heat transfer to the particles (Equations 22.9-11, 22.9-25, 22.9-31, 22.9-66, and 22.9-86) when the P-1 or discrete ordinates radiation model is active. Note that you must enable radiation to particles, using the Particle Radiation Interaction option in the Discrete Phase Model panel. Recommended values of particle emissivity are 1.0 for coal particles and 0.5 for ash [219]. Particle Scattering Factor is the scattering factor, fp , due to particles in the P-1 or discrete ordinates radiation model (Equation 13.3-13). Note that you must enable particle eects in the radiation model, using the Particle Radiation Interaction option in the Discrete Phase Model panel. The recommended value of fp for coal combustion modeling is 0.9 [219]. Note that if the eect of particles on radiation is enabled, scattering in the continuous phase will be ignored in the radiation model.
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When an atomizer injection model and/or the droplet breakup or collision model is enabled in the Set Injection Properties panel (atomizers) and/or Discrete Phase Model panel (droplet breakup/collision), you will need to dene the following additional parameters: Viscosity is the droplet viscosity, l . The viscosity may be dened as a function of temperature by selecting one of the function types from the drop-down list to the right of Viscosity. See Section 8.2: Dening Properties Using Temperature-Dependent Functions for details about temperature-dependent properties. You also have the option of implementing a user-dened function to model the droplet viscosity. See the separate UDF Manual for information about user-dened functions. Droplet Surface Tension is the droplet surface tension, . The surface tension may be dened as a function of temperature by selecting one of the function types from the drop-down list to the right of Droplet Surface Tension. See Section 8.2: Dening Properties Using Temperature-Dependent Functions for details about temperaturedependent properties. You also have the option of implementing a user-dened function to model the droplet surface tension. See the separate UDF Manual for information about user-dened functions. Vapor-Particle-Equilibrium is the selected approach for the calculation of the vapor concentration of the components at the surface. This can be Raoults law (Equation 22.3-4), or a user-dened function that provides this value.
22.15
Solution Strategies for the Discrete Phase
Solution of the discrete phase implies integration in time of the force balance on the particle (Equation 22.2-1) to yield the particle trajectory. As the particle is moved along its trajectory, heat and mass transfer between the particle and the continuous phase are also computed via the heat/mass transfer laws (Section 22.9: One-Way and Two-Way Coupling). The accuracy of the discrete phase calculation thus depends on the time accuracy of the integration and upon the appropriate coupling between the discrete and continuous phases when required. Numerical controls are described in Section 22.11.7: Numerics of the Discrete Phase Model. Coupling and performing trajectory calculations are described in Section 22.15.2: Performing Trajectory Calculations. Sections 22.15.3 and 22.11.9 provide information about resetting interphase exchange terms and using the parallel solver for a discrete phase calculation.
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22.15 Solution Strategies for the Discrete Phase
22.15.1
Integration of Particle Equation of Motion
The trajectory equations, and any auxiliary equations describing heat or mass transfer to/from the particle, are solved by stepwise integration over discrete time steps. Integration of time in Equation 22.2-1 yields the velocity of the particle at each point along the trajectory, with the trajectory itself predicted by dx = up dt (22.15-1)
Equations 22.2-1 and 22.15-1 are a set of coupled ordinary dierential equations. Equation 22.2-1 can be cast into the following general form 1 dup = (u up ) + a dt p (22.15-2)
where the term a includes accelerations due to all other forces except drag force. This set can be solved for constant u, a and p by analytical integration. For the particle velocity at the new location un+1 we get p un+1 = un + e p
t
p
un un ap e p
t
p
(22.15-3)
The new location xn+1 can be computed from a similar relationship. p xn+1 = xn + t(un + ap ) + p 1 e p p
t
p
un un ap p
(22.15-4)
In these equations un and un represent particle velocities and uid velocities at the old p location. Equations 22.15-3 and 22.15-4 are applied when using the analytic discretization scheme. The set of Equations 22.2-1 and 22.15-1 can also be solved using numerical discretization schemes. When applying the Euler implicit discretization to Equation 22.15-2 we get un + t(a + p 1+
t p un ) p
un+1 = p
(22.15-5)
When applying a trapezoidal discretization to Equation 22.15-2 the variables up and un on the right hand side are taken as averages, while accelerations, a, due to other forces are held constant. We get un+1 un 1 p p = (u u ) + an p t p
(22.15-6)
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Modeling Discrete Phase The averages u and u are computed from p 1 n (u + un+1 ) p 2 p 1 n = (u + un+1 ) 2 = un + tun un p
u = p u un+1
(22.15-7) (22.15-8) (22.15-9)
The particle velocity at the new location n + 1 is computed by un (1 p

1 t ) 2 p
un+1 = p
t p
un + 1 tun p 2 1+
1 t 2 p
un + ta (22.15-10)
For the implicit and the trapezoidal schemes the new particle location is always computed by a trapezoidal discretization of Equation 22.15-1. 1 xn+1 = xn + t un + un+1 p p p p 2 (22.15-11)
Equations 22.15-2 and 22.15-1 can also be computed using a Runge-Kutta scheme which was published by Cash and Karp [49]. The ordinary dierential equations can be considered as vectors, where the left hand side is the derivative y and the right hand side is an arbitrary function f (t, y). y = f (t, y) We get y n+1 = y n + c1 k1 + c2 k2 + c3 k3 + c4 k4 + c5 k5 + c6 k6 with (22.15-13) (22.15-12)
k1 = tf (t, y n ) k2 = tf (t + a2 t, y n + b21 k1 ) k3 = tf (t + a3 t, y n + b31 k1 + b32 k2 ) k4 = tf (t + a4 t, y n + b41 k1 + b42 k2 + b43 k3 ) k5 = tf (t + a5 t, y n + b51 k1 + b52 k2 + b53 k3 + b54 k4 ) k6 = tf (t + a6 t, y n + b61 k1 + b62 k2 + b63 k3 + b64 k4 + b65 k5 )
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The coecients a2 . . . a6 , b21 . . . b65 , and c1 . . . c6 are taken from Cash and Karp [49] This scheme provides an embedded error control, which is switched o, when no Accuracy Control is enabled. For rotating reference frames, the integration is carried out in the rotating frame with the extra terms described in Equations 22.2-12 and 22.2-13, thus accounting for system rotation. Using the mechanisms available for accuracy control, the trajectory integration will be done accurately in time. The analytic scheme is very ecient. It can become inaccurate for large steps and in situations where the particles are not in hydrodynamic equilibrium with the continuous ow. The numerical schemes implicit and trapezoidal, in combination with Automated Tracking Scheme Selection, consider most of the changes in the forces acting on the particles and are chosen as default schemes. The runge-kutta scheme is recommended of nondrag force changes along a particle integration step. The integration step size of the higher-order schemes, trapezoidal and runge-kutta, is limited to a stable range. Therefore it is recommended to use them in combination with Automated Tracking Scheme Selection.
22.15.2
Performing Trajectory Calculations
The trajectories of your discrete phase injections are computed when you display the trajectories using graphics or when you perform solution iterations. That is, you can display trajectories without impacting the continuous phase, or you can include their eect on the continuum (termed a coupled calculation). In turbulent ows, trajectories can be based on mean (time-averaged) continuous phase velocities or they can be impacted by instantaneous velocity uctuations in the uid. This section describes the procedures and commands you use to perform coupled or uncoupled trajectory calculations, with or without stochastic tracking or cloud tracking.
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Uncoupled Calculations
For the uncoupled calculation, you will perform the following two steps: 1. Solve the continuous phase ow eld. 2. Plot (and report) the particle trajectories for discrete phase injections of interest. In the uncoupled approach, this two-step procedure completes the modeling eort, as illustrated in Figure 22.15.1. The particle trajectories are computed as they are displayed, based on a xed continuous-phase ow eld. Graphical and reporting options are detailed in Section 22.16: Postprocessing for the Discrete Phase.
continuous phase ow eld calculation particle trajectory calculation

Figure 22.15.1: Uncoupled Discrete Phase Calculations
This procedure is adequate when the discrete phase is present at a low mass and momentum loading, in which case the continuous phase is not impacted by the presence of the discrete phase.
Coupled Calculations
In a coupled two-phase simulation, FLUENT modies the two-step procedure above as follows: 1. Solve the continuous phase ow eld (prior to introduction of the discrete phase). 2. Introduce the discrete phase by calculating the particle trajectories for each discrete phase injection. 3. Recalculate the continuous phase ow, using the interphase exchange of momentum, heat, and mass determined during the previous particle calculation. 4. Recalculate the discrete phase trajectories in the modied continuous phase ow eld. 5. Repeat the previous two steps until a converged solution is achieved in which both the continuous phase ow eld and the discrete phase particle trajectories are unchanged with each additional calculation.
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This coupled calculation procedure is illustrated in Figure 22.15.2. When your FLUENT model includes a high mass and/or momentum loading in the discrete phase, the coupled procedure must be followed in order to include the important impact of the discrete phase on the continuous phase ow eld.
continuous phase ow eld calculation
particle trajectory calculation
update continuous phase source terms
Figure 22.15.2: Coupled Discrete Phase Calculations
When you perform coupled calculations, all dened discrete phase injections will be computed. You cannot calculate a subset of the injections you have dened.
Procedures for a Coupled Two-Phase Flow If your FLUENT model includes prediction of a coupled two-phase ow, you should begin with a partially (or fully) converged continuous-phase ow eld. You will then create your injection(s) and set up the coupled calculation. For each discrete-phase iteration, FLUENT computes the particle/droplet trajectories and updates the interphase exchange of momentum, heat, and mass in each control volume. These interphase exchange terms then impact the continuous phase when the continuous phase iteration is performed. During the coupled calculation, FLUENT will perform the discrete phase iteration at specied intervals during the continuous-phase calculation. The coupled calculation continues until the continuous phase ow eld no longer changes with further calculations (i.e., all convergence criteria are satised). When convergence is reached, the discrete phase trajectories no longer change either, since changes in the discrete phase trajectories would result in changes in the continuous phase ow eld.
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The steps for setting up the coupled calculation are as follows: 1. Solve the continuous phase ow eld. 2. In the Discrete Phase Model panel (Figure 22.11.2), enable the Interaction with Continuous Phase option. 3. Set the frequency with which the particle trajectory calculations are introduced in the Number Of Continuous Phase Iterations Per DPM Iteration eld. If you set this parameter to 5, for example, a discrete phase iteration will be performed every fth continuous phase iteration. The optimum number of iterations between trajectory calculations depends upon the physics of your FLUENT model.
Note that if you set this parameter to 0, FLUENT will not perform any discrete phase iterations.
During the coupled calculation (which you initiate using the Iterate panel in the usual manner) you will see the following information in the FLUENT console as the continuous and discrete phase iterations are performed:
iter continuity x-velocity y-velocity k epsilon energy time/it 314 2.5249e-01 2.8657e-01 1.0533e+00 7.6227e-02 2.9771e-02 9.8181e-03 :00:05 315 2.7955e-01 2.5867e-01 9.2736e-01 6.4516e-02 2.6545e-02 4.2314e-03 :00:03 DPM Iteration .... number tracked= 9, number escaped= 1, Done. 316 1.9206e-01 1.1860e-01 6.9573e-01 317 2.0729e-01 3.2982e-02 8.3036e-01 318 3.2820e-01 5.5508e-02 6.0900e-01
aborted= 0, trapped= 0, evaporated = 8,i 5.2692e-02 2.3997e-02 2.4532e-03 :00:02 4.1649e-02 2.2111e-02 2.5369e-01 :00:01 5.9018e-02 2.6619e-02 4.0394e-02 :00:00
Note that you can perform a discrete phase calculation at any time by using the solve/dpm-update text command. Stochastic Tracking in Coupled Calculations If you include the stochastic prediction of turbulent dispersion in the coupled two-phase ow calculations, the number of stochastic tries applied each time the discrete phase trajectories are introduced during coupled calculations will be equal to the Number of Tries specied in the Set Injection Properties panel. Input of this parameter is described in Section 22.12.5: Stochastic Tracking. Note that the number of tries should be set to 0 if you want to perform the coupled calculation based on the mean continuous phase ow eld. An input of n 1 requests n
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22.16 Postprocessing for the Discrete Phase
stochastic trajectory calculations for each particle in the injection. Note that when the number of stochastic tracks included is small, you may nd that the ensemble average of the trajectories is quite dierent each time the trajectories are computed. These dierences may, in turn, impact the convergence of your coupled solution. For this reason, you should include an adequate number of stochastic tracks in order to avoid convergence troubles in coupled calculations. Under-Relaxation of the Interphase Exchange Terms When you are coupling the discrete and continuous phases for steady-state calculations, using the calculation procedures noted above, FLUENT applies under-relaxation to the momentum, heat, and mass transfer terms. This under-relaxation serves to increase the stability of the coupled calculation procedure by letting the impact of the discrete phase change only gradually: Enew = Eold + (Ecalculated Eold ) (22.15-14)
where Enew is the exchange term, Eold is the previous value, Ecalculated is the newly computed value, and is the particle/droplet under-relaxation factor. FLUENT uses a default value of 0.5 for . You can modify by changing the value in the Discrete Phase Sources eld under Under-Relaxation Factors in the Solution Controls panel. You may need to decrease in order to improve the stability of coupled discrete phase calculations.
22.15.3 Resetting the Interphase Exchange Terms

If you have performed coupled calculations, resulting in nonzero interphase sources/sinks of momentum, heat, and/or mass that you do not want to include in subsequent calculations, you can reset these sources to zero. Solve Initialize Reset DPM Sources When you select the Reset DPM Sources menu item, the sources will immediately be reset to zero without any further conrmation from you.
22.16
Postprocessing for the Discrete Phase
After you have completed your discrete phase inputs and any coupled two-phase calculations of interest, you can display and store the particle trajectory predictions. FLUENT provides both graphical and alphanumeric reporting facilities for the discrete phase, including the following: graphical display of the particle trajectories summary reports of trajectory fates
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step-by-step reports of the particle position, velocity, temperature, and diameter alphanumeric reports and graphical display of the interphase exchange of momentum, heat, and mass sampling of trajectories at boundaries and lines/planes summary reporting of current particles in the domain histograms of trajectory data at sample planes display of erosion/accretion rates This section provides detailed descriptions of each of these postprocessing options. (Note that plotting or reporting trajectories does not change the source terms.)
22.16.1
Displaying of Trajectories
When you have dened discrete phase particle injections, as described in Section 22.12: Setting Initial Conditions for the Discrete Phase, you can display the trajectories of these discrete particles using the Particle Tracks panel (Figure 22.16.1). Display Particle Tracks... The procedure for drawing trajectories for particle injections is as follows: 1. Select the particle injection(s) you wish to track in the Release From Injections list. (You can choose to track a specic particle, instead, as described below.) 2. Set the length scale and the maximum number of steps in the Discrete Phase Model panel, as described in Section 22.11.7: Numerics of the Discrete Phase Model. Dene Models Discrete Phase... If stochastic and/or cloud tracking is desired, set the related parameters in the Set Injection Properties panel, as described in Section 22.12.5: Stochastic Tracking. 3. Set any of the display options described below. 4. Click on the Display button to draw the trajectories or click on the Pulse button to animate the particle positions. The Pulse button will become the Stop ! button during the animation, and you must click on Stop ! to stop the pulsing.
For unsteady particle tracking simulations, clicking on Display will show only the current location of the particles. Typically, you should select point in the Style drop-down list when displaying transient particle locations since individual positions will be displayed. The Pulse button option is not available for unsteady tracking.
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Figure 22.16.1: The Particle Tracks Panel
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Specifying Individual Particles for Display

It is also possible to display the trajectory for an individual particle stream instead of for all the streams in a given injection. To do so, you will rst need to determine which particle is of interest. Use the Injections panel to list the particle streams in the desired injection, as described in Section 22.12.3: Creating, Modifying, Copying, Deleting, and Listing Injections. Dene Injections... Note the ID numbers listed in the rst column of the listing printed in the FLUENT console. Then perform the following steps after step 1 above: 1. Enable the Track Single Particle Stream option in the Particle Tracks panel. 2. In the Stream ID eld, specify the ID number of the particle stream for which you want to plot the trajectory.
Options for Particle Trajectory Plots

The options mentioned above include the following: you can include the grid in the trajectory display, control the style of the trajectories (including the twisting of ribbonstyle trajectories), color them by dierent scalar elds and control the color scale, and coarsen trajectory plots. You can also choose node or cell values for display. If you are pulsing the trajectories, you can control the pulse mode. Finally, you can generate an XY plot of the particle trajectory data (e.g., residence time) as a function of time or path length and save this XY plot data to a le. Plotting particle trajectories can be very time consuming, therefore, to reduce the plotting time, a coarsening factor can be used to reduce the number of points that are plotted. Providing a coarsening factor of n, will result in each nth point being plotted for a given trajectory in any cell. This coarsening factor is specied in the Particle Tracks panel, in the Coarsen eld and is only valid for steady state cases. For example, if the coarsening factor is set to 2, then FLUENT will plot alternate points.
Note that if any particle or pathline enters a new cell, this point will always be plotted.
To reduce plotting time in transient cases, FLUENT has available an option to skip plotting every nth particle in an injection. Selecting this option is also done in the Particle Tracks panel menu by specifying a nonzero integer in the Skip eld. For example, if an individual stream is selected and the skip option is set to 1, every other particle will be plotted. If the entire injection is selected with a skip option of 1, every other particle will be plotted for all streams in the injection.
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These options are controlled in exactly the same way that pathline-plotting options are controlled. See Section 28.1.4: Options for Pathline Plots for details about setting the trajectory plotting options mentioned above. Note that in addition to coloring the trajectories by continuous phase variables, you can also color them according to the following discrete phase variables: particle time, particle velocity, particle diameter, particle density, particle mass, particle temperature, particle law number, particle time step, and particle Reynolds number. These variables are included in the Particle Variables... category of the Color By list. To display the minimum and maximum values in the domain, click the Update Min/Max button.
Graphical Display for Axisymmetric Geometries

For axisymmetric problems in which the particle has a nonzero circumferential velocity component, the trajectory of an individual particle is often a spiral about the centerline of rotation. FLUENT displays the r and x components of the trajectory (but not the component) projected in the axisymmetric plane.
22.16.2
Reporting of Trajectory Fates
When you perform trajectory calculations by displaying the trajectories (as described in Section 22.16.1: Displaying of Trajectories), FLUENT will provide information about the trajectories as they are completed. By default, the number of trajectories with each possible fate (escaped, aborted, evaporated, etc.) is reported:
DPM Iteration .... num. tracked = 7, escaped = 4, aborted = 0, trapped = 0, evaporated = 3, inco Done.
You can also track particles through the domain without displaying the trajectories by clicking on the Track button at the bottom of the panel. This allows the listing of reports without also displaying the tracks.
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Trajectory Fates
The possible fates for a particle trajectory are as follows: Escaped trajectories are those that terminate at a ow boundary for which the escape condition is set. Incomplete trajectories are those that were terminated when the maximum allowed number of time stepsas dened by the Max. Number Of Steps input in the Discrete Phase Model panel (see Section 22.11.7: Numerics of the Discrete Phase Model)was exceeded. Trapped trajectories are those that terminate at a ow boundary where the trap condition has been set. Evaporated trajectories include those trajectories along which the particles were evaporated within the domain. Aborted trajectories are those that fail to complete due to roundo reasons. You may want to retry the calculation with a modied length scale and/or dierent initial conditions. Shed trajectories are newly generated particles during the breakup of a larger droplet. They appear only if a breakup model is enabled. Coalesced trajectories are removed particles which have coalesced after particleparticle collisions. They appear only if the coalescence model is enabled. Splashed trajectories are particles which are newly generated when a particle touches a wall-lm. Those trajectories appear only if the wall-lm model is enabled.
Summary Reports
You can request additional detail about the trajectory fates as the particles exit the domain, including the mass ow rates through each boundary zone, mass ow rate of evaporated droplets, and composition of the particles. 1. Follow steps 1 and 2 in Section 22.16.1: Displaying of Trajectories for displaying trajectories. 2. Select Summary as the Report Type and click Display or Track. A detailed report similar to the following example will appear in the console window. (You may also choose to write this report to a le by selecting File as the Report to option, clicking on the Write... button (which was originally the Display button), and specifying a le name for the summary report le in the resulting Select File dialog box.)
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DPM Iteration .... num. tracked = 10, escaped = 8, aborted = 0, trapped = 0, evaporated = 0, inc Fate ---Incomplete Escaped - Zone 7 Number -----2 8 Elapsed Time (s) Min Max Avg Std Dev ---------- ---------- ---------- ---------- --1.485e+01 2.410e+01 1.947e+01 4.623e+00 4.940e+00 2.196e+01 1.226e+01 4.871e+00
(*)- Mass Transfer Summary -(*) Fate ---Incomplete Escaped - Zone 7 Mass Flow (kg/s) Initial Final Change ---------- ---------- ---------1.388e-03 1.943e-04 -1.194e-03 1.502e-03 2.481e-04 -1.254e-03 (*)- Energy Transfer Summary -(*) Fate ---Incomplete Escaped - Zone 7 Heat Content (W) Initial Final Change ---------- ---------- ---------4.051e+02 3.088e+02 -9.630e+01 4.383e+02 3.914e+02 -4.696e+01 (*)- Combusting Particles -(*) Fate ---Incomplete Escaped - Zone 7 Done. Volatile Content (kg/s) Initial Final %Conv ---------- ---------- ------6.247e-04 0.000e+00 100.00 6.758e-04 0.000e+00 100.00 Char Content (kg/s) Initial Final ---------- ---------- -5.691e-04 0.000e+00 1 6.158e-04 3.782e-05
The report groups together particles with each possible fate, and reports the number of particles, the time elapsed during trajectories, and the mass and energy transfer. This information can be very useful for obtaining information such as where particles are escaping from the domain, where particles are colliding with surfaces, and the extent of heat and mass transfer to/from the particles within the domain. Additional information is reported for combusting particles.
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Elapsed Time The number of particles with each fate is listed under the Number heading. (Particles that escape through dierent zones or are trapped at dierent zones are considered to have dierent fates, and are therefore listed separately.) The minimum, maximum, and average time elapsed during the trajectories of these particles, as well as the standard deviation about the average time, are listed in the Min, Max, Avg, and Std Dev columns. This information indicates how much time the particle(s) spent in the domain before they escaped, aborted, evaporated, or were trapped.
Fate ---Incomplete Escaped - Zone 7
Number -----2 8
Elapsed Time (s) Min Max Avg Std Dev ---------- ---------- ---------- ---------- --1.485e+01 2.410e+01 1.947e+01 4.623e+00 4.940e+00 2.196e+01 1.226e+01 4.871e+00
Also, on the right side of the report are listed the injection name and index of the trajectories with the minimum and maximum elapsed times. (You may need to use the scroll bar to view this information.)
Elapsed Time (s) Injection, Index Min Max Avg Std Dev Min Max --- ---------- ---------- ---------- -------------------- -----------------+01 2.410e+01 1.947e+01 4.623e+00 injection-0 1 injection-0 0 +00 2.196e+01 1.226e+01 4.871e+00 injection-0 9 injection-0 2
Mass Transfer Summary For all droplet or combusting particles with each fate, the total initial and nal mass ow rates and the change in mass ow rate are reported in the Initial, Final, and Change columns. With this information, you can determine how much mass was transferred to the continuous phase from the particles.
(*)- Mass Transfer Summary -(*) Fate ---Incomplete Escaped - Zone 7 Mass Flow (kg/s) Initial Final Change ---------- ---------- ---------1.388e-03 1.943e-04 -1.194e-03 1.502e-03 2.481e-04 -1.254e-03
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Energy Transfer Summary For all particles with each fate, the total initial and nal heat content and the change in heat content are reported in the Initial, Final, and Change columns. This report tells you how much heat was transferred from the continuous phase to the particles.
(*)- Energy Transfer Summary -(*) Fate ---Incomplete Escaped - Zone 7 Heat Content (W) Initial Final Change ---------- ---------- ---------4.051e+02 3.088e+02 -9.630e+01 4.383e+02 3.914e+02 -4.696e+01
Combusting Particles If combusting particles are present, FLUENT will include additional reporting on the volatiles and char converted. These reports are intended to help you identify the composition of the combusting particles as they exit the computational domain.
(*)- Combusting Particles -(*) Fate Volatile Content (kg/s) Initial Final %Conv ------------- ---------- ------Incomplete 6.247e-04 0.000e+00 100.00 Escaped - Zone 7 6.758e-04 0.000e+00 100.00 Char Content (kg/s) Initial Final %Conv ---------- ---------- ------5.691e-04 0.000e+00 100.00 6.158e-04 3.782e-05 93.86
The total volatile content at the start and end of the trajectory is reported in the Initial and Final columns under Volatile Content. The percentage of volatiles that has been devolatilized is reported in the %Conv column. The total reactive portion (char) at the start and end of the trajectory is reported in the Initial and Final columns under Char Content. The percentage of char that reacted is reported in the %Conv column. Combusting Particles with the Multiple Surface Reaction Model If the multiple surface reaction model is used with combusting particles, FLUENT will include additional reporting on the mass of the individual solid species that constitute the particle mass.
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(*)- Multiple Surface Reactions -(*) Fate ---Escaped Escaped Escaped Escaped Escaped Species Names ------c<s> s<s> cao caso4 caco3 Species Content (kg/s) Initial Final %Conv ---------- ---------- ------6.080e-02 1.487e-06 100.00 3.200e-03 5.077e-06 99.84 0.000e+00 1.153e-03 0.00 0.000e+00 9.266e-04 0.00 8.000e-03 5.260e-03 34.25
Zone Zone Zone Zone Zone
6 6 6 6 6
The total mass of each solid species in the particles at the start and end of the trajectory is reported in the Initial and Final columns, respectively. The percentage of each species that is reacted is reported in the %Conv column. Note that for the solid reaction products (e.g., if the mass of a solid species has increased in the particle), the conversion is reported to be 0.
22.16.3 Step-by-Step Reporting of Trajectories

At times, you may want to obtain a detailed, step-by-step report of the particle trajectory/trajectories. Such reports can be obtained in alphanumeric format. This capability allows you to monitor the particle position, velocity, temperature, or diameter as the trajectory proceeds. The procedure for generating les containing step-by-step reports is listed below: 1. Follow steps 1 and 2 in Section 22.16.1: Displaying of Trajectories for displaying trajectories. You may want to track only one particle at a time, using the Track Single Particle Stream option. 2. Select Step By Step as the Report Type.
This option is only available for steady-state cases. For transient cases, see Section 22.16.4: Reporting of Current Positions for Unsteady Tracking.
3. Select File as the Report to option. (The Display button will become the Write... button.) 4. In the Signicant Figures eld, enter the number of signicant gures to be used in the step-by-step report. 5. Click on the Write... button and specify a le name for the step-by-step report le in the resulting Select File dialog box.
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A detailed report similar to the following example will be saved to the specied le before the trajectories are plotted. (You may also choose to print the report in the console by choosing Console as the Report to option and clicking on Display or Track, but the report is very long that it is unlikely to be of use to you in that form.) The step-by-step report lists the particle position and velocity of the particle at selected time steps along the trajectory:
Time 0.000e+00 3.773e-05 5.403e-05 9.181e-05 1.296e-04 1.608e-04 . . . X-Position 1.411e-03 2.411e-03 2.822e-03 3.822e-03 4.821e-03 5.644e-03 . . . Y-Position 3.200e-03 3.200e-03 3.192e-03 3.192e-03 3.192e-03 3.192e-03 . . . Z-Velocity 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 . . . X-Velocity 2.650e+01 2.648e+01 2.647e+01 2.644e+01 2.642e+01 2.639e+01 . . . Y-Velocity 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 . . . Z-Veloc 0.000e 0.000e 0.000e 0.000e 0.000e 0.000e . . .
Also listed are the diameter, temperature, density, and mass of the particle. (You may need to use the scroll bar to view this information.) In addition, the variable you have selected in the Color By list is also listed. This provides you with a simple way to export any variable along a particle trajectory onto the console or into a le. Note that the Coarsen option aects the step-by-step report.
Y-Velocity 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 . . . Z-Velocity 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 . . . Diameter Temperature 2.000e-04 3.000e+02 2.000e-04 3.006e+02 2.000e-04 3.009e+02 2.000e-04 3.015e+02 2.000e-04 3.022e+02 2.000e-04 3.027e+02 . . . . . . Density 1.30e+03 1.30e+03 1.30e+03 1.30e+03 1.30e+03 1.30e+03 . . . Mass ColorBy 5.445e-09 0.000e+00 5.445e-09 3.773e-05 5.445e-09 5.403e-05 5.445e-09 9.181e-05 5.445e-09 1.296e-04 5.445e-09 1.608e-04 . . . . . .
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22.16.4
Reporting of Current Positions for Unsteady Tracking
In transient cases, when using unsteady tracking, you may want to obtain a report of the particle trajectory/trajectories showing the current positions of the particles. Selecting Current Positions under Report Type in the Particle Tracks panel enables the display of the current positions of the particles. The procedure for generating les containing current position reports is listed below: 1. Follow steps 1 and 2 in Section 22.16.1: Displaying of Trajectories for displaying trajectories. You may want to track only one particle stream at a time, using the Track Single Particle Stream option. 2. Select Current Position as the Report Type. 3. Select File as the Report to option. (The Display button will become the Write... button.) 4. In the Signicant Figures eld, enter the number of signicant gures to be used in the step-by-step report. 5. Click on the Write... button and specify a le name for the current position report le in the resulting Select File dialog box. The current position report lists the positions and velocities of all particles that are currently in the domain:
Time 0.000e+00 1.672e-05 3.342e-05 5.010e-05 6.675e-05 8.338e-05 . . . X-Position 1.000e-03 1.168e-03 1.337e-03 1.508e-03 1.680e-03 1.854e-03 . . . Y-Position 3.120e-02 3.128e-02 3.137e-02 3.145e-02 3.153e-02 3.161e-02 . . . Z-Position 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 . . . X-Velocity 1.000e+01 1.010e+01 1.019e+01 1.028e+01 1.038e+01 1.047e+01 . . . Y-Velocity 5.000e+00 4.988e+00 4.977e+00 4.965e+00 4.954e+00 4.942e+00 . . . Z-Veloc 0.000e 0.000e 0.000e 0.000e 0.000e 0.000e . . .
Also listed are the diameter, temperature, density, mass of the particles, number in parcel and the variable selected from the Color By list. (You may need to use the scroll bar to view this information.)
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elocity 000e+00 000e+00 000e+00 000e+00 000e+00 000e+00 . . .
Diameter Temperature 7.000e-05 3.000e+02 7.000e-05 3.009e+02 7.000e-05 3.019e+02 7.000e-05 3.028e+02 7.000e-05 3.037e+02 7.000e-05 3.046e+02 . . . . . .
Density Mass Number ColorBy 1.300e+03 2.335e-10 3.183e+03 0.000e+00 1.300e+03 2.335e-10 3.183e+03 1.672e-05 1.300e+03 2.335e-10 3.183e+03 3.342e-05 1.300e+03 2.335e-10 3.183e+03 5.010e-05 1.300e+03 2.335e-10 3.183e+03 6.675e-05 1.300e+03 2.335e-10 3.183e+03 8.338e-05 . . . . . . . . . . . .
22.16.5
Reporting of Interphase Exchange Terms and Discrete Phase Concentration
FLUENT reports the magnitudes of the interphase exchange of momentum, heat, and mass in each control volume in your FLUENT model. It can also report the total concentration of the discrete phase. You can display these variables graphically, by drawing contours, proles, etc. They are all contained in the Discrete Phase Model... category of the variable selection drop-down list that appears in postprocessing panels: DPM Concentration DPM Mass Source DPM X,Y,Z Momentum Source DPM Swirl Momentum Source DPM Sensible Enthalpy Source DPM Enthalpy Source DPM Absorption Coecient DPM Emission DPM Scattering DPM Burnout DPM Evaporation/Devolatilization DPM (species) Source DPM Erosion
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DPM Accretion DPM (species) Concentration See Chapter 30: Field Function Denitions for denitions of these variables. Note that these exchange terms are updated and displayed only when coupled calculations are performed. Displaying and reporting particle trajectories (as described in Sections 22.16.1 and 22.16.2) will not aect the values of these exchange terms.
22.16.6
Sampling of Trajectories
Particle states (position, velocity, diameter, temperature, and mass ow rate) can be written to les at various boundaries and planes (lines in 2D) using the Sample Trajectories panel (Figure 22.16.2). Report Discrete Phase Sample...
Figure 22.16.2: The Sample Trajectories Panel
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The procedure for generating les containing the particle samples is listed below: 1. Select the injections to be tracked in the Release From Injections list. 2. Select the surfaces at which samples will be written. These can be boundaries from the Boundaries list or planes from the Planes list (in 3D) or lines from the Lines list (in 2D). 3. Click on the Compute button. Note that for unsteady particle tracking, the Compute button will become the Start button (to initiate sampling) or a Stop button (to stop sampling). Clicking on the Compute button will cause the particles to be tracked and their status to be written to les when they encounter selected surfaces. The le names will be formed by appending .dpm to the surface name. For unsteady particle tracking, clicking on the Start button will open the les and write the le header sections. If the solution is advanced in time by computing some time steps, the particle trajectories will be updated and the particle states will be written to the les as they cross the selected planes or boundaries. Clicking on the Stop button will close the les and end the sampling. For stochastic tracking, it may be useful to repeat this process multiple times and append the results to the same le, while monitoring the sample statistics at each update. To do this, enable the Append Files option before repeating the calculation (clicking on Compute). Similarly, you can cause erosion and accretion rates to be accumulated for repeated trajectory calculations by turning on the Accumulate Erosion/Accretion Rates option. (See also Section 22.16.9: Postprocessing of Erosion/Accretion Rates.) The format and the information written for the sample output can also be controlled through a user-dened function, which can be selected in the Output drop-down list. See the separate UDF Manual for information about user-dened functions.
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22.16.7
Histogram Reporting of Samples
Histograms can be plotted from sample les created in the Sample Trajectories panel (as described in Section 22.16.6: Sampling of Trajectories) using the Trajectory Sample Histograms panel (Figure 22.16.3). Report Discrete Phase Histogram...
Figure 22.16.3: The Trajectory Sample Histograms Panel
The procedure for plotting histograms from data in a sample le is listed below: 1. Select a le to be read by clicking on the Read... button. After you read in the sample le, the boundary name will appear in the Sample list. 2. Select the data sample in the Sample list, and then select the data to be plotted from the Fields list. 3. Click on the Plot button at the bottom of the panel to display the histogram. By default, the percent of particles will be plotted on the y axis. You can plot the actual number of particles by deselecting Percent under Options. The number of bins or intervals in the plot can be set in the Divisions eld. You can delete samples from the list with the Delete button and update the Min/Max values with the Compute button.
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22.16.8
Summary Reporting of Current Particles
For many mass-transfer and ow processes, it is desirable to know the mean diameter of the particles. A mean diameter, Djk , is calculated from the particle size distribution using the following general expression [187]:
(Djk )
jk
Dj f (D)dD (22.16-1) Dk f (D)dD
0 0
where j and k are integers and f (D) is the distribution function (e.g., Rosin-Rammler). D10 , for example, is the average (arithmetic) particle diameter. The Sauter mean diameter (SMD), D32 , is the diameter of a particle whose ratio of volume to surface area is equal to that of all particles in the computation. A summary of common mean diameters is given in Table 22.16.1. Table 22.16.1: Common Mean Diameters and Their Fields of Application
j 1 2 3 2 3 3 4
k 0 0 0 1 1 2 3
Order j+k 1 2 3 3 4 5 7
Name Mean diameter, D10 Mean surface diameter, D20 Mean volume diameter, D30 Overall surface diameter, D21 Overall volume diameter, D31 Sauter mean diameter, D32 De Brouckere diameter, D43
Field of Application Comparisons, evaporation Absorption Hydrology Adsorption Evaporation, molecular diusion Combustion, mass transfer, and eciency studies Combustion equilibrium
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Summary information (number, mass, average diameter) for particles currently in the computational domain can be reported using the Particle Summary panel (Figure 22.16.4). Report Discrete Phase Summary...
Figure 22.16.4: The Particle Summary Panel
The procedure for reporting a summary for particle injections is as follows: 1. Select the particle injection(s) for which you want to generate a summary in the Injections list. FLUENT provides a shortcut for selecting injections with names that match a specied pattern. To use this shortcut, enter the pattern under Injection Name Pattern and then click Match to select the injections with names that match the specied pattern. For example, if you specify drop*, all injections that have names beginning with drop (e.g., drop-1, droplet) will be selected automatically. If they are all selected already, they will be deselected. If you specify drop?, all surfaces with names consisting of drop followed by a single character will be selected (or deselected, if they are all selected already). 2. Click Summary to display the injection summary in the console window.
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(*)- Summary for Injection: injection-0 -(*) Total number of parcels : Total number of particles : Total mass : Maximum RMS distance from injector : Maximum particle diameter : Minimum particle diameter : Overall RR Spread Parameter : Maximum Error in RR fit : Overall RR diameter (D_RR): Overall mean diameter (D_10): Overall mean surface area (D_20): Overall mean volume (D_30): Overall surface diameter (D_21): Overall volume diameter (D_31): Overall Sauter diameter (D_32): Overall De Brouckere diameter (D_43): 1862 1.196710e+05 1.128303e-05 7.372527e-01 3.072739e-04 1.756993e-06 1.446806e+00 1.071220e-01 9.051303e-05 4.663269e-05 5.344694e-05 6.121478e-05 6.125692e-05 7.013570e-05 8.030141e-05 1.082971e-04
(kg) (m) (m) (m)
(m) (m) (m) (m) (m) (m) (m) (m)
22.16.9
Postprocessing of Erosion/Accretion Rates
You can calculate the erosion and accretion rates in a cumulative manner (over a series of injections) by using the Sample Trajectories panel. First select an injection in the Release From Injections list and compute its trajectory. Then turn on the Accumulate Erosion/Accretion Rates option, select the next injection (after deselecting the rst one), and click Compute again. The rates will accumulate at the surfaces each time you click Compute.
Both the erosion rate and the accretion rate are dened at wall face surfaces only, so they cannot be displayed at node values.
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Chapter 22.

Modeling Discrete Phase

c Fluent Inc. September 29, 2006

Modeling Discrete Phase

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The Euler-Lagrange Approach

Limitation on the Particle Volume Fraction

Limitation on Modeling Continuous Suspensions of Particles

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Modeling Discrete Phase

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22.2 Particle Motion Theory

22.2 Particle Motion Theory 22.2.1 Equations of Motion for Particles

Particle Force Balance

Inclusion of the Gravity Term

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Modeling Discrete Phase

Laws for Drag Coefcients

The shape factor cannot exceed a value of 1.

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22.2 Particle Motion Theory

Forces in Rotating Reference Frames

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Modeling Discrete Phase

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22.2 Particle Motion Theory

Saffmans Lift Force

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Modeling Discrete Phase

Turbulent Dispersion of Particles

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22.2 Particle Motion Theory

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Modeling Discrete Phase

(22.2-27) (22.2-28) (22.2-29)

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22.2 Particle Motion Theory

The particle eddy crossing time is dened as tcross = ln 1 Le |u up |

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Modeling Discrete Phase

Particle Cloud Tracking

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22.2 Particle Motion Theory

Vi (t1 ) dt1 + xi (0)

The equations of motion are constructed using an ensemble average.

Rp,ii (t2 , t1 )dt1 dt2

up,i (t2 )up,j (t1 )

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Modeling Discrete Phase

Rp,22 = Rp,11 u 2 StT B ( /a ) u 2 ( B/T ) Rp,33 = e e where B =

1 + m2 2 and a is the aerodynamic response time of the particle: T a = p d2 p 18 (22.2-44)

and mT TmE m 3/4 3/2 C k ( 2 k)1/2 3 a g u a TmE a T St2 (1 + m2 2 ) 1 T T u u u Tf E u G(m) m 1 (1 + St)0.4(1+0.01St)

(22.2-45) (22.2-46) (22.2-47) (22.2-48) (22.2-49) (22.2-50) (22.2-51) (22.2-52) (22.2-53)

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22.3 Multicomponent Particle Theory

Multicomponent Particle Theory

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Modeling Discrete Phase

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22.4 Wall-Film Model Theory

Wall-Film Model Theory Introduction

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