JD 1

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AnOverviewof ComputationalFluid Dynamics

JoelDucoste AssociateProfessor DepartmentofCivil,Construction, andEnvironmentalEngineering
MBRTrainingSeminar GhentUniversity July1517,2008
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Outline
CFD? Whats that? Modeling fluid flow and associated processes
Geometry and grid selection Equations Numerical methods Solution techniques multiphase
Example
Secondary clarifier
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ComputationalFluidDynamics(CFD)
CFD is the science of determining a solution to fluid flow through space and time. CFD models include
a description of the flow geometry, a set of coupled differential equations describing the physics and chemistry of the flow, boundary and initial conditions, and a structured mesh of points at which these equations are solved
The equations of motion are solved by a finite difference, finite element, or finite volume technique.
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Role of CFD
Researchers, engineers, and educators can use CFD as a

Design Tool

Evaluate design alternatives Retrofit alternatives
Troubleshooting Tool

Explain strange flow phenomena Explain poor process performance
A tool to better understand the process dynamics
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Impact of alternative piping configuration on UV reactor performance
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Microbial transport in UV Reactor

Design A
Design B
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Chemical Mixing in a flow through Reactor involving chlorine and ammonia
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Result of Flow Field and Chlorine decay
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Modeling Grease interceptor
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Velocity
Modeling Grease Interceptors
Oil concentration
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Modeling Spatial Variation in Floc Size in Reactors
Axial Flow Impeller
Radial Flow Impeller
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CommonandtraditionalusesofCFD?
Aerospace Biomedical
F18 Store Separation
Temperature and natural convection currents in the eye following laser heating.
Automotive
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CommonandtraditionalusesofCFD?
Chemical Processing
Polymerization reactor vessel - prediction of flow separation and residence time effects.
Hydraulics
HVAC
Streamlines for workstation ventilation
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DucostesAreasofResearchInterest
Disinfection Chemical disinfectants UV Secondary Clarifiers Chemical mixing

Biological nutrient removal Anaerobic digestion Advance oxidation processes Fat, oil, grease, removal and roots control Wetlands Bioremediation
Flocculation DAF Biosystems/bioinformatics

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Modelingfluidflowand associatedprocesses
Modeling includes:
Geometry, domain, grid specification Governing equations Initial and boundary conditions Selection of models for different applications
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Geometry, domain, grid specification

Simple geometries can be easily created by few geometric
parameters (e.g. circular pipe) Complex geometries must be created by the partial differential equations or importing the database of the geometry (e.g. Multilamp UV reactor, complex MBR configuration) into commercial software Domain: size and shape
Typical approaches Geometry approximation CAD/CAE integration: use of industry standards such as
Parasolid, ACIS, STEP, or IGES, etc.
The three coordinates: Cartesian system (x,y,z), cylindrical

system (r, , z), and spherical system (r, , )
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Modeling(coordinates)
z Cartesian (x,y,z) z Cylindrical (r,,z) z y x x r y x r y z Spherical (r,,)
Coordinates should be chosen for a better resolution of the geometry (e.g. cylindrical for circular pipe).
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Grids can either be structured or unstructured. Depends upon type of

discretization scheme and application Scheme Finite differences: structured Finite volume or finite element: structured or unstructured Application Unstructured grids useful for complex geometries Unstructured grids permit automatic adaptive refinement based on the pressure gradient, or regions interested (FLUENT, Comsol, AEA, Flow 3D, etc.)
GridSpecification
The grid selection/distribution can impact the accuracy of the flow field/turbulence and scalar variable field.
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unstructured
j i
i j
structured
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It is important to make sure that the flow domain is properly

discretized with an appropriate grid distribution.
GridSpecification
The accuracy of a solution and its associated cost due to
computing time and hardware are dependent in part on the grid density.
Some cost savings can be achieved by optimizing the grid or
cell distribution within the flow domain (i.e., making the cell size non-uniform).
For non-uniform grid density, the cells are finer in areas
where large variations or gradients occur from point to point and coarser in regions with relatively small variations in the solved variables.
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The user must still decide on the grid density that is needed to capture the specific process and flow characteristics and produce a stable numerical (also known as a grid independent) solution. A stable numerical solution is achieved when solved variables at all discrete cell locations do not significantly change (i.e., less than 0.1 percent) with increasing grid density. The user should utilize some kind of grid checker to safeguard against distorted cells (i.e., long thin cells) . Grid cell distortion will lead to a poorly converged solution.
GridSpecification
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1.
Governingequations
Governing equations (2D in Cartesian coordinates) Navier-Stokes Equations
2u 2u u u u p + u + v = + 2 + 2 + g x t x y x y x 2v 2v v v v p + u + v = + 2 + 2 + g y t x y y y x
Convection 2.
Pressure gradient
Viscous terms
Continuity equation
( u ) ( v ) ( w ) + + + =0 t x y z
3.
Equation of state
p = RT
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U i =0 xi
v C (U j C ) C + = ui c t x j x j Pr (C ) x j
j j
U U i 1 P i v Uj = + ui u j x x j xi x j j
C ui c= PrT (C ) xi
U j U i U k vt k i Ui = + + v t x x x xi xi k xi j i j
2 U i U j U i vi C = +C1 vt + Ui 2 x x k x k xi xi xi i j j
U i U j ui u j =vt + x x i j
2 k ij 3
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Governing equations
Based on the physics of the fluids phenomena, CFD can be distinguished into different categories using different criteria
Viscous vs. inviscid

External flow or internal flow Turbulent vs. laminar Incompressible vs. compressible Single- vs. multi-phase Thermal/density effects Free-surface flow and surface tension Chemical reactions and combustion and so on.
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TurbulentFlow
Above a certain range of Reynolds No., a Laminar Flow will become unstable and turn turbulent Most of the environmental flows we deal with are turbulent Turbulence Characteristics : General randomness in pressure and velocity Turbulence in 3-D Turbulence contains a range of Eddy Sizes or scales of motion Eddy Fluid Particles moving laterally and longitudinally Eddy idea helps us think about stretching, turning, .
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TurbulentFlow(EddiesAction)
b
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ReynoldsAveraging
In turbulent flows, there are velocity fluctuations in all directions
u2 u3 u1, u2, u3 Total Velocity u1
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ReynoldsAveraging
Since u1, u2, u3 are all non-zero we have to keep all three Navier Stokes Equations. Represent Velocity as :
' u 1 = U1 + u 1
u 2 = U 2 + u '2
' u 3 = U3 + u 3 where U mean velocities and
u ' Random Fluctuating Velocities Lets take a time average of u1 1 T

t 0 +T
t0
1 u dt = 1 { T
t 0 +T
1 0 ' U1dt + u1dt T t0 t0 1 4 24 3

' =0 u1
t +T
u1 = U1 ' Similary u '2 = u 3 =0
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ReynoldsAveraging
The example above demonstrates that time averaging may reduce the complexity of our equations Reynolds Average Continuity Equations :
u = 0 Assumes u1 u 2 u 3 + + =0 x1 x 2 x 3 Substituti ng u1 , u 2 , u3 and time averaging : 1 0= T

t 0 +T
t0
1 (U1 + u1' )dt + x1 T
t 0 +T
t0
1 ' (U 2 + u 2 )dt + x 2 T
t 0 +T
t0
' (U 3 + u3 )dt x 3
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ReynoldsStresses
The Reynolds average of Navier Stokes :
u i = U i + u i' = + ' 2 Ui U i U i P ( u i' u 'j ) + U k = + 1 2 3 t x k x i x jx j x j

Reynold Stresses
This is a problem. How many unknowns ? How many equations ?
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TurbulenceClosureProblem
Most Common Approach : Eddy Viscosity
ij = u i' u 'j = t
U i where t = Turbulent eddy viscosity x j
Does units match ? Ui U i 1 P 2 Ui + Uk = + ( + t ) t x k x i x jx j How do we describe v t ? t Property of Flow Property of Fluid

Second-moment (more sophisticated, accurate, and substantially more costly in terms of computing)
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TurbulenceClosureProblem
Most Common Approach : Eddy Viscosity three Eddy viscosity model categories are zero-equation, one-equation, and two-equation models most widely used are standard k-, RNG k- and Chen Kim k-, and Realizable k-
Second-moment (more sophisticated, accurate, and substantially
more costly in terms of computing)

the turbulent fluxes of momentum are not described by simple constitutive relationships, but are now described by their own transport equations
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TwoEquationTurbulentModel
The standard k- is the most popular two-equation turbulence model and available in every commercial software
U i U j t k k k + t + +Ui = xi t xi xi k xi x j U i x j 2 U i U j U i t c2 +Ui = + c1 t + x k x x k t xi xi e xi i j j
2 k t = C
The standard k- is the most popular two-equation turbulence model and available in every commercial software. Model constants are:
e = 1.3
C = 0.09
c2 = 1.92
k = 1.0
c1 = 1.44
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The RNG k- is derived from mathematical methods employing complex space-time Fourier transforms where the turbulence being modeled is governed by the long-time large scale behavior of the system The energy equation contains an additional production term. This new term changes the value of C1 in the standard k- turbulence model and reduces the level of dissipation through these additional terms
c = c2 +
* 2
C 3 (1 / 0 ) 1 +
3
= (2 Eij Eij )
c1 = 1.42
1/ 2
k = 0.72 e = 0.72 C
= 0.0845
c2 = 1.68 = 0.012 0 = 4.38
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The Chen Kim k- model introduces an additional time scale term to improve the dynamic response of the standard k- model (Chen and Kim, 1987). The additional source term is introduced into the equation. This extra term represents the energy transfer rate from large scale to smallscale turbulence controlled by the production range time scale and the dissipation range time scale.
c4 2 S = (Eij Eij ) k
The model constants for Chen Kim k- are:
c4 = .25 e = 1.15 k = 0.75 c1 = 1.15 c2 = 1.9
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The Realizable k- incorporates a time-scale realizability (Tt) and an additional source term (E) in the equation for improved performance in flows containing averse pressure gradients (i.e., flow separation) (Goldberg et al., 1998). The revised energy dissipation equation is as follows:
U i U j t = + c1 t + +Ui xi xi e xi xi t x j k
2 k t = C f
2 1 U i c2 + E Tt x k j
Tt = max 1, 1
1/ 4
k )
k2 = C2
E = AE V Tt
k
V = max k
1/ 2
, ( )
k = max ,0 x x j j
f =
1 e
A Rt Rt
Rt =
k2
1 e
max 1, 1
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The values of the constants for the realizable k- model are:
C = 0.09 k = 1.0 c1 = 1.44
C = 2
e = 1.3
AE = 0.3
c2 = 1.92
A = 0.01
The constants used in these k- models are the default values typically used in commercial CFD software. It is possible to fine-tune the model constants to achieve better agreement between model predictions and experimental results. However, since the velocity and turbulence data is typically not available for most reactors at the different operating conditions, this method of tweaking results is discouraged and default values are recommended.
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Two-Equation (standard k-, RNG k-, Chen Kim k- and Realizable k-)
Model Selection, Advantages and Disadvantages

Advantages
Simplest turbulence models that only require initial/boundary conditions Most widely tested models that have performed reasonably well for many types of flow conditions
Disadvantages
Have been found to poorly perform for the following cases: some unconfined flows flows with curved boundary layers or swirling flows rotating flows fully developed flows in noncircular ducts
Second moment (RSTM/ASTM)
Most general of traditional turbulence models that only require initial/boundary conditions More accurate representation of Reynolds stresses that have better characterize the turbulent flow properties in wall jets flows with curved boundary layers or swirling flows rotating flows fully developed flows in noncircular ducts
Significantly higher computing cost Has not been widely tested compared to the two equation models Still has flow conditions that it has been found to behave poorly: axis-symmetric jets unconfined recirculating flows
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TurbulentFlowmeasurementswithinaUV Reactor(ModelComparisons)
flow
3 4 1
4 measurement locations were performed using DPIV
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TurbulentFlowmeasurementswithinaUVReactor (VelocityProfile) 1 2
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TurbulentFlowmeasurementswithinaUVReactor (KineticenergyProfile) 1 2
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Boundary Conditions
y o x
Slip-free: u=0,v=? Slip-free: u=?,v=0
No-slip walls: u=0,v=0 Inlet r Outlet

v=0, dp/dr=0,du/dr=0
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Boundary Conditions
inlet and outlet conditions as well as wall boundary conditions.
Boundary conditions in turbulence modeling involve specifications for

For inlet conditions, the average mean velocity normal to the inlet plane
must be specified. All tangential velocities are set to zero. The turbulent kinetic energy and energy dissipation rate inlet conditions are defined as follows: kinlet = (I U)2
inlet = kinlet1.5/(0.1 D) where I is the turbulence intensity whose value ranges from 0.01-0.07, U is the normal average velocity at the inlet, and D is a characteristic dimension. U is calculated as the flow rate divided by the cross sectional area of the inlet plane. D is typically taken as the inlet pipe diameter.
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Boundary Conditions
For the outlet conditions:

Gradients of all variables are zero in the flow direction with the exception of the pressure. The pressure is set to the external pressure or zero. The outlet boundary should be placed far from any flow obstructions so that the flow occurs in one direction and no recirculating flow regions are produced at part of the outlet boundary. If a recirculating region does develop at the outlet boundary, the outlet region should be placed further downstream by extending the flow domain with a straight section.
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Boundary Conditions
For the wall boundary conditions: No slip condition (i.e., velocities equal to zero) is applied to all solid surfaces. At very small distances near the solid wall, a viscous sublayer exists followed by an intermediate layer and turbulent core. In the viscous sub-layer, the flow is influenced by viscous forces and does not depend on free stream turbulent parameters. The velocity in this sub-layer only depends on the distance normal to the wall, fluid density, viscosity, and the wall shear stress.
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Boundary Conditions
For the wall boundary conditions: The intermediate sub-layer is bridged by utilizing empirical wall functions to provide near-wall boundary conditions for the mean-flow and turbulence transport equations. The purpose of these empirical functions is to connect the wall shear stress to the dependent variables at the near-wall grid node. This grid node must lie outside this sub-layer and reside in the fully-turbulent zone. There are two types of wall function provided in commercial CFD codes: a) equilibrium log-law wall functions and non-equilibrium log- law wall functions.
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Boundary Conditions
For the wall boundary conditions: The non-equilibrium log- law wall functions should be used when the turbulent transport of heat, and also species, at a reattachment point is required. The equilibrium wall functions are those appropriate to a near wall layer in local equilibrium. The velocity, turbulent kinetic energy, and energy dissipation rate in the equilibrium wall functions are as follows:
u + / u = Ln ( Ey + ) /
k = u2 / C
= C 0.75 k 1.5 /(Y )
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Boundary Conditions
For the wall boundary conditions: u+ is the absolute value of the resultant velocity parallel to the wall at the first grid node, ut is the resultant friction velocity ( u = w / ), Y is the normal distance of the first grid point from the wall, y+ is the dimensionless wall distance ( y + = u Y / ), Cm is a constant based on the two-equation turbulence model selection, is the von Karman constant and E is a roughness parameter. = 0.41 and E = 8.6, which is appropriate for smooth walls.
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Boundary Conditions
For the wall boundary conditions: These wall functions are known as the wall logarithmic law and should only be used when the y+ value range between 30 and 500. Deviation from this y+ value range may cause poor prediction of the pressure drop through the reactor. If the y+ value falls outside this range, grid refinement must be performed to correct for these deviated values. In some commercial CFD codes, the refinement procedure can occur automatically during the model execution.
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SOLUTION TECHNIQUE AND CONVERGENCE CRITERIA The solution technique and convergence criteria are essential components of the numerical process to ensure that a stable converged solution has been achieved.
There are many equations that must be solved in order to determine the local value of the specific variable. In addition to being numerous, these sets of equations are often non-linear and strongly coupled. The solution procedure involves an iterative technique, where the purpose is to reduce the imbalance between the left and right hand sides of every equation so that the magnitude of the difference negligible.
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SOLUTION TECHNIQUE AND CONVERGENCE CRITERIA The method for solving the equations describing the target variables will be based on the type of commercial CFD code and the method used to discretize these variables (i.e., finite element, finite difference, and finite volume). FDM-simplest and requires structured mesh FEM-similar to FD but requires interpolation functions FVM-FD method directly associated with conservation laws
Focus on solvers associated with finite volume technique since it is used by several commercial CFD codes There are several iterative solvers that are available in commercial CFD codes. These solvers can be divided into two groups: coupled solvers and sequential or segregated solvers.
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SOLUTION TECHNIQUE AND CONVERGENCE CRITERIA For the coupled solver approach, discretized equations are placed into one large global matrix equation system that will be solved with a specific numerical approach.
For the segregated approach, no global matrix is built. As an alternative, the discretized equations for each flow variable are assembled into smaller equation systems where they are solved iteratively. In the coupled solver category, methods that are typically found in commercial codes include but are not limited to the following: Jacobi, Gauss Seidel, Successive Over-relaxation (SOR), and Stone.
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SOLUTION TECHNIQUE AND CONVERGENCE CRITERIA The Jacobi method is considered the simplest iterative approach that solves the system of equations from a point by point method.
The Jacobi technique has been found to lead to slow convergence due to a reduced link between grid cells from a slow propagation of change through the flow domain. This slow propagation can be useful when different variables are tightly coupled and the value of solved variable in a cell is more dependent on other variables in the same cell than on the value of the variable in neighboring cells. However, the Jacobi method is not recommended for 3-D problems.
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TECHNIQUE AND CONVERGENCE CRITERIA The Gauss Seidel approach is similar to the Jacobi method but utilizes an updated iterative value for a specific variable as soon as it becomes available. It is twice as fast as the Jacobi method due to a reduction in the storage for unknowns.
SOR differs from the Gauss Seidel approach by multiplying the change in the variable from successive iterations with a constant called an over-relaxation factor. It reverts back to the Gauss Seidel approach when the over-relaxation constant is one. Determining the correct value for this over-relaxation constant is important to the rate of convergence. An optimized value can be determined but not without significant computational cost. SOR is considered the most widely used method for solving non-linear sets of simultaneous equations.
TECHNIQUE AND CONVERGENCE CRITERIA
The Stone solver (also known as the strongly implicit procedure) is designed to solve a system of algebraic equations that were developed from the discretization of partial differential equations as in fluid mechanics problems. The main idea behind Stones approach is that the convergence can be improved by the addition of cell values at the corners in the iterative solution process. The Stone approach usually converges in a smaller number of iterations than SOR mentioned earlier.
For incompressible fluid flow we are in the business of solving:
u x
1 1
u + x
2 2
u + x
3 3
= 0
1 P Ui U i 2Ui = + ( + t ) + Uk x i x jx j t x k
If the flow is compressible:

The continuity equation can be used to compute density. Temperature follows from the enthalpy equation. Pressure can then be calculated from the equation of state p=p(,T).
What to do with the pressure field which is a scalar quantity with no other equation to compute its value
So-called pressure-velocity coupling algorithms are used to derive equations for the pressure from the momentum equations and the continuity equation. The most commonly used algorithm is the SIMPLE (SemiImplicit Method for Pressure-Linked Equations). An algebraic equation for the pressure correction p is derived, in a form similar to the equations derived for the convection-diffusion equations:
a P p ' = anb p ' + b'

nb
Each iteration, the pressure field is updated by applying the pressure correction. The source term b is the continuity imbalance. The other coefficients depend on the mesh and the flow field.
SIMPLE: It is based on the premise that fluid flows from regions with high pressure to low pressure.
Start with an initial pressure field. Look at a cell. If continuity is not satisfied because there is more mass flowing into that cell than out of the cell, the pressure in that cell compared to the neighboring cells must be too low. Thus the pressure in that cell must be increased relative to the neighboring cells. The reverse is true for cells where more mass flows out than in. Repeat this process iteratively for all cells.
SIMPLE is the default algorithm in most commercial finite volume codes. Improved versions are:
SIMPLER (SIMPLE Revised). SIMPLEC (SIMPLE Consistent). PISO (Pressure Implicit with Splitting of Operators).
All these algorithms can speed up convergence because they allow for the use of larger underrelaxation factors than SIMPLE. The differences are in speed and stability.
The segregated solver approach consists of decoupling the nonlinear equations describing velocity, pressure, and turbulence using either a pressure projection (PP) or pressure correction (PC) technique PC is essentially the same as SIMPLE, PP is similar to SIMPLER, Of the two methods, the PP segregated approach was the most efficient when evaluated based on CPU time and storage. Typically, the segregated solver needs less CPU storage and significantly less computation time per iteration.
The conjugate gradient (CG) approach is based on the idea that the solution to a system of non-linear equations can be determined in a simultaneous manner as oppose to a sequential manner as done in the Jacobi, SOR, or Stone approach. It is a method used traditionally to minimize a function using the functions gradient and can be considered a type of segregated solver. The CG approach may produce more rapid convergence than Jacobi, SOR, or Stone approaches.
The selection of the most appropriate solver will depend on the following items: 1) size of the problem, 2) amount of computing resources (i.e., available RAM), 3) problem physics, and 4) specific program capabilities. For large three dimensional problems, solvers based on the segregated approach should be used due to its reduced computing resource requirement.
In converting the equations of motion into algebraic equations, discretization schemes must be used to describe a variable in one cell as a function of the variable in nearby cells. The accuracy and stability of the final solution will depend in part on the selection of the discretization scheme. There are several discretization methods used by commercial CFD codes. These discretization methods differ in how the variable is calculated on the cell surface. The discretization schemes can be divided into order of accuracy (i.e., 1st, 2nd, or higher). 1st and 2nd order accurate discretization methods are called upwind-differencing scheme (UDS) and central differencing scheme (CDS).
Both UDS and CDS have been shown to be numerically stable with CDS displaying only a higher degree of accuracy than UDS. UDS has been shown to suffer from numerical diffusion (i.e., additional transport due only to numerical formulation and not fluid flow) while CDS is only appropriate for low cell Peclet (Pe) number conditions (i.e., Pe < 2). When dealing with 1st and 2nd order discretization schemes, the value of the Pe number becomes important in determining the influence of upstream computational cells on the current cell. At higher Pe values, the CDS calculation becomes unstable. Some CFD codes utilize a Hybrid scheme, which uses CDS for cells that satisfy the Pe number restriction and uses UDS for cells where Pe 2.
The two approaches used to reduce numerical diffusion include refining the grid density or utilizing higher order discretization schemes. While refining the grid density may be a simple solution, it is generally not recommended since significant refinement would be necessary to achieve small reduction in numerical diffusion. The preferred approach to reducing numerical diffusion is to apply higher order discretization schemes.
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Scheme SMART
Non-Linear Schemes
B(r) max(0,min(2r, 0.75r+0.25, 4)) Notes Gaskell & Lau [1988]): bounded QUICK, piecewise linear Waterson & Deconinck [1995]; harmonic based on QUICK, smooth Lien & Leschziner [1994]; bounded QUICK, piecewise linear Zhou [1995]; bounded QUICK, smooth van Leer [1979]; bounded Fromm bounded Fromm Waterson & Deconinck [1995]; bounded Fromm van Albada [1982]; bounded Fromm Roe [1986], Hirsch [1990] Roe [1986], Hirsch [1990] Waterson & Deconinck [1995]; bounded CUS Koren [1993]; bounded CUS
H-QUICK
2 (r+|r|)/(r+3)
UMIST
max( 0, min(2r, 0.25+0.75r, 0.75+0.25r, 2) ) r(3r+1)/(r+1)2 for r > 0; B(r) = 0. for r <= 0 max( 0, min( 2r, 0.5+0.5r, 2) ) (r+|r|)/(r+1) 3 (r2+r)/{2.(r2+r+1)} (r2+r)/(r2+1) max( 0, min(2r,1), min(r,2) ) max( 0, min(r, 1) ) 1.5 (r+|r|)/(r+2) max( 0, min( 2r, 2r/3+1/3, 2) )
CHARM MUSCL Van-Leer harmonic OSPRE van Albada [1982] Superbee Minmod H-CUS Koren
The non-linear schemes in the previous table are used along with Equation 1 below, which calculates the cell-face value of the convected variable. f = c + 0.5B(r) (c - u) f is the variable across the control-volume face f, c is the variable value at the cell center, u represents the upstream value, and d represents the downstream value. B(r) is termed a limiter function, and the gradient ratio r, which is defined as: r = (d - c)/( c -u)
The linear schemes can be compactly expressed as follows: UDS upwind difference B(r) = 0 CDS central difference B(r) = r B(r) = 0.5*{ (1+K)*r + (1-K) } where LUS linear-upwind K = -1 QUICK quadratic upwind K = 0.5 FROMM Fromm's upwind scheme K = 0 CUS cubic upwind scheme K = 0.3333
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PerformanceofSchemes
Simulation of a scalar variable downstream of a point source in a stream of uniform velocity as shown. The two points to examine are: Does the band spread unduly? Do the values lie within the range from 10.5 to 0?
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Exact
Upwind DS
Central DS
Quick
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LUS
FROMM
CUS
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SMART
KOREN
HQUICK
Quick
Numerical convergence is also important for the stability of the model and consists of reducing the error associated with performing guesses for the variables in the flow domain. The convergence of the numerical solution can be based on two requirements: the magnitude of the residuals the difference in the values for solved variables between successive iterations.
Residuals are essentially imbalances caused by the guesses made at each iteration. In order to understand the concept of residuals, an example is presented in terms of steady, singlephase flow. The species transport equation (constant density, incompressible flow) is given by:
c c + (ui c ) = D +S t xi xi xi
Here c is the concentration of the chemical species and D is the diffusion coefficient. S is a source term. c We will discretize this equation (convert it to a solveable algebraic form) for the c c c simple flow field shown on the right, assuming steady state conditions.
N W P E
cS
TECHNIQUE AND CONVERGENCE CRITERIA The balance over the control volume is given by:
Aeue ce Awuwcw + An vn cn As vs cs = dc dc dc dc DAe DAw + DAn DAs + Sp dx e dx w dy n dy s
This contains values at the faces, which need to be determined from interpolation from the values at the cell centers.
cN An,cn cP Aw,cw As,cs j,y,v i,x,u cS
Notation Aw , An , Ae , As : areas of the faces

cE Ae,ce
cW
cw , cn , ce , cs : concentrations at the faces cW , cN , cE , cS : concentrations at the cell centers uw , un , ue , us , vw , vn , ve , vs : velocities at the faces uW , u N , uE , uS , vW , vN , vE , vS : velocities at the cell centers S P : source in cell P D: diffusion coefficient
TECHNIQUE AND CONVERGENCE CRITERIA The simplest way to determine the values at the faces is by using first order upwind differencing. Here, lets assume that the value at the face is equal to the value in the center of the cell upstream of the face. Using that method results in:
AeuP cP AwuW cW + An vP cP As vS cS = DAe (cE cP ) / xe DAw (cP cW ) / xw + DAn (cN cP ) / yn DAs (cP cS ) / ys + S P
This equation can then be rearranged to provide an expression for the concentration at the center of cell P as a function of the concentrations in the surrounding cells, the flow field, and the grid.
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Rearranging the previous equation results in:

cP ( An vP + AeuP + DAw / xw + DAn / y p + DAe / xe + DAs / ys ) = cW ( AwuW + DAw / xw ) + cN (DAn / yn ) + cE (DAe / xe ) + cS ( As vS + DAs / ys ) + SP
This equation can now be simplified to:
a P c P = aW cW + a N c N + a E c E + a S c S + b =
a
nb
nb nb
c +b
Here nb refers to the neighboring cells. The coefficients anb and b will be different for every cell in the domain at every iteration. The species concentration field can be calculated by recalculating cP iteratively
ap and an are the convection-diffusion coefficients obtained from the UDS: p is the cell-average value of stored at the cell center; and the summation is over the adjacent nodes n. The residual Rp at a specific location is then computed as follows Rp = app -(ann) - Sp - Bp Bp is the deferred-correction source term. The goal of the iteration process is to minimize the value of Rp with successive iterations. The process of convergence consists of summing the absolute residual sources over the whole solution domain as Residual = Rp
Overall Procedure: (put convergence residual plot here)
Spot Values
Residual error
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MultiphaseFlow
PHOENICS
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MultiphaseFlow
Multiphase flow describes
Flow with different phases( i.e. solid, liquid or gas). Flow with different chemical substances but same phase (i.e. liquidliquid like oil-water).
Primary and secondary phases

One of the phases is considered continuous (primary) and others (secondary) are considered to be dispersed within the continuous phase.
A diameter has to be assigned for each secondary phase to calculate its interaction (drag) with the primary phase (except for VOF model).
Dilute phase vs. Dense phase;

Refers to the volume fraction of secondary phase(s)
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MultiphaseFlow
Multiphase flow can be divided into the following regimes:
Particle flow: Discrete solid particles in a continuous fluid Bubbly flow: Discrete gaseous or fluid bubbles in a continuous fluid Droplet flow: Discrete fluid droplets in a continuous gas Slug flow: Large bubbles (nearly filling cross-section) in a continuous fluid Stratified/free-surface flow: Immiscible fluids separated by a clearly-defined interface
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LagrangianMultiphaseModel
Good for modeling particles, droplets, or bubbles dispersed at volume fractions less than 10%) in continuous fluid phase Computes trajectories of particle streams in continuous phase. Can allow for heat, mass, and momentum transfer between dispersed and continuous phases. Neglects particle-particle interaction.
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LagrangianMultiphaseModel
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CouplingBetweenPhases
One-Way Coupling Fluid phase influences particulate phase via drag and turbulence transfer. Particulate phase have no influence on the gas phase. Two-Way Coupling Fluid phase influences particulate phase via drag and turbulence transfer. Particulate phase influences fluid phase via source terms of mass, momentum, and energy.
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ParticleTrajectory(LagrangianModels)
the fluid phase is treated separately from the particle phase and are coupled through interphase source terms in the particle momentum equation:
mp du p , i dt = D p , i (u i u p , i ) + m p g i
CD =
i = 1,2,3
D p = 0 .5 A p C D u u p
24 0.42 1 + 0.15 Re 0.687 + Re 1 + 4.25 x10 4 Re 1.16
where subscript i represents the projection values of a variable in dimensional axis i, mp is the particle mass, Dp,i is a drag function, ui is the carrier phase instantaneous velocity, up,i is the particle velocity, and g is the gravitational acceleration. The source terms on the right hand side are drag force and gravitational force. Other forces as needed can be included (i.e., lift, virtual mass)
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EulerianMultiphaseModels(IPSA)
Appropriate for modeling gas-liquid or liquid-liquid or solid-liquid flows where: Phases mix or separate Large range of bubble/droplet/solid volume fractions Inappropriate for modeling stratified or free-surface flows. Two approaches:
Interphase Slip Algorithm (IPSA) Algebraic Slip Model (ASM)
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Each phase is regarded as having its own distinct velocity components.

Phase velocities are linked by interphase momentum transfer - droplet drag, film surface friction etc.
Each phase may have its own temperature, enthalpy, and mass fraction of chemical species.
Phase temperatures are linked by interphase heat transfer. Phase concentrations are linked by interphase mass transfer.
Each phase can be characterized by a 'fragment size'.

droplet or bubble diameter, film thickness or volume/surface area. Phase 'fragment sizes' are influenced by mass transfer, coalescence, disruption, stretching etc.
Each phase may have its own pressure - surface tension raises the pressure inside bubbles, and interparticle forces prevent tight packing, by raising pressure.
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Phase continuity
regarded as the equations governing the phase volume fractions. d(rii)/dt + div( riiVi - rigrad(ri) ) = ji Transient Convection Phase Diffusion Mass Source
ri = phase volume fraction, m3/m3 i = phase density, kg/m3 Vi = phase velocity vector, m/s ri = phase diffusion coefficient, Ns/m2 ji = net rate of mass entering phase i from phase j, kg/(m3s)
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Phase conservation equations

d(riii)/dt+div( riiVii -rii grad(i)-iri grad(ri) ) = Si+Sip Transient Convection Within-phase and Phase Diffusion Sources
i = any variable ri = phase volume fraction, m3/m3 i = phase density, kg/m3 Vi = phase velocity vector, m/s i = within-phase diffusion coefficient, Ns/m2 ri = phase diffusion coefficient, Ns/m2 Si = within-phase volumetric sources, kg/(m3s) Sip = interphase volumetric sources, kg/(m3s)
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EulerianMultiphaseModels(ASM)
The mixture model is a multiphase flow model, particularly well suited for suspensions, that is, mixtures of solid particles and liquid. Based on momentum balance and mass conservation of each phase, the mixture model uses the following equations:
Here u denotes mixture velocity (m/s), mixture density (kg/m3), p pressure (Pa), cd mass fraction of the solid phase (kg/kg). Furthermore, uslip is the relative velocity between the two phases (m/s), Gm the sum of viscous and turbulent stress (kg/(ms2)), and g the gravity vector (m/s2).
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The mixture velocity (m/s) is defined as Where c and d denote the volume fractions of the liquid (continuous) phase and the solid (dispersed) phase (m3/m3), respectively, uc the liquid-phase velocity (m/s), ud the solidphase velocity (m/s), c the liquid-phase density (kg/m3), d the solid-phase density (kg/m3), and the mixture density (kg/m3). The relationship between the velocities of the two phases is defined by
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For the slip velocity, the Hadamard-Rybczynski drag can be used for the slip velocity and is defined as:
where dd denotes the diameter of the solid particles (m). For the mixture density and kinematic viscosity:
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MultiphaseModels
Choosing a Multiphase Model

Assess volume fraction
Less than 10%: LPM (no aggregation/breakup or particle/particle interaction All volume fractions: Eulerian approaches (IPSA: two phase only), (ASM: 3 or more phases)
Aggregation/breakup can be included with user defined subroutines
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Geometry
CFD Process
Physics Mesh Solve Reports PostProcessing
Select Geometry
Heat Transfer ON/OFF
Unstructured (automatic/ manual)
Steady/ Unsteady
Forces Report
(lift/drag, shear stress, etc)
Contours
Geometry Parameters
Compressible ON/OFF
Structured (automatic/ manual)
Iterations/ Steps
XY Plot
Vectors
Domain Shape and Size
Flow properties
Convergent Limit
Verification
Streamlines
Viscous Model
Precisions (single/ double)
Validation
Boundary Conditions
Numerical Scheme
Initial Conditions
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Example(SecondaryClarifier)
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The Mixture Model was used to solve this problem. Physical properties of the two phases according to the following table:
Var c c d dd gz max vin vout in VALUE 110-3 Pas 210-4 m -9.82 m/s2 0.62 1.25 m/s -0.05 m/s 0.003 DESCRIPTION Liquid phase viscosity Diameter of solid particles (Constant) z-component of gravity vector Solid phase maximum packing concentration Inlet velocity Outlet velocity Volume fraction of solid phase of incoming sludge 1000 kg/m3 Liquid phase density 1100 kg/m3 Solid phase density
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Velocity Contour
Results(SecondaryClarifier)
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Results(SecondaryClarifier)
Sludge Mass Contour
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Results (Secondary Clarifier) Sludge Mass Contour

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AnOverviewof ComputationalFluid Dynamics

MBRTrainingSeminar GhentUniversity July1517,2008

Researchers, engineers, and educators can use CFD as a

Evaluate design alternatives Retrofit alternatives

Explain strange flow phenomena Explain poor process performance

A tool to better understand the process dynamics

Impact of alternative piping configuration on UV reactor performance

Microbial transport in UV Reactor

Chemical Mixing in a flow through Reactor involving chlorine and ammonia

Result of Flow Field and Chlorine decay

Modeling Grease interceptor

Modeling Grease Interceptors

Modeling Spatial Variation in Floc Size in Reactors

Axial Flow Impeller

Radial Flow Impeller

F18 Store Separation

Flocculation DAF Biosystems/bioinformatics

Geometry, domain, grid specification

The three coordinates: Cartesian system (x,y,z), cylindrical

Grids can either be structured or unstructured. Depends upon type of

It is important to make sure that the flow domain is properly

The accuracy of a solution and its associated cost due to

Some cost savings can be achieved by optimizing the grid or

For non-uniform grid density, the cells are finer in areas

Viscous vs. inviscid

u2 u3 u1, u2, u3 Total Velocity u1

u ' Random Fluctuating Velocities Lets take a time average of u1 1 T

1 0 ' U1dt + u1dt T t0 t0 1 4 24 3

u1 = U1 ' Similary u '2 = u 3 =0

u = 0 Assumes u1 u 2 u 3 + + =0 x1 x 2 x 3 Substituti ng u1 , u 2 , u3 and time averaging : 1 0= T

1 (U1 + u1' )dt + x1 T

u i = U i + u i' = + ' 2 Ui U i U i P ( u i' u 'j ) + U k = + 1 2 3 t x k x i x jx j x j

This is a problem. How many unknowns ? How many equations ?

U i where t = Turbulent eddy viscosity x j

Does units match ? Ui U i 1 P 2 Ui + Uk = + ( + t ) t x k x i x jx j How do we describe v t ? t Property of Flow Property of Fluid

Second-moment (more sophisticated, accurate, and substantially

more costly in terms of computing)

c2 = 1.68 = 0.012 0 = 4.38

www.mbr-network.eu Turbulence Model

Model Selection, Advantages and Disadvantages

Second moment (RSTM/ASTM)

4 measurement locations were performed using DPIV

No-slip walls: u=0,v=0 Inlet r Outlet

Boundary conditions in turbulence modeling involve specifications for

For the outlet conditions:

= C 0.75 k 1.5 /(Y )

TECHNIQUE AND CONVERGENCE CRITERIA

TECHNIQUE AND CONVERGENCE CRITERIA

For incompressible fluid flow we are in the business of solving:

If the flow is compressible:

TECHNIQUE AND CONVERGENCE CRITERIA

a P p ' = anb p ' + b'

TECHNIQUE AND CONVERGENCE CRITERIA

TECHNIQUE AND CONVERGENCE CRITERIA

TECHNIQUE AND CONVERGENCE CRITERIA

TECHNIQUE AND CONVERGENCE CRITERIA

TECHNIQUE AND CONVERGENCE CRITERIA

TECHNIQUE AND CONVERGENCE CRITERIA

TECHNIQUE AND CONVERGENCE CRITERIA

TECHNIQUE AND CONVERGENCE CRITERIA

TECHNIQUE AND CONVERGENCE CRITERIA

TECHNIQUE AND CONVERGENCE CRITERIA