Introduction to CFD

Chiara Galletti
Email: c.galletti@diccism.unipi.it
Master Progettazione di Impianti Oil & Gas
Bologna, 15 Dic 2011
Computational Fluid Dynamics
CFD is the analysis of systems whcih involve fluid motion, heta transfer and related
phenomena, such as chemical reactions, thorugh the use of simulations with
computers.
CFD = PHYSICAL MODEL + NUMERICL TECHNIQUES
CFD shows advantages over experimental techniques:
Shorter design times
Analysis of system s in conditions difficult to be replicated in laboratory;
No scale-up;
Analysis of systems in hazardous conditions
High data resolution
Todays CFD plays a key role in the engineering for process optimization. Moreover it supports
experimental and theoretical studies
However CFD has to be used in an expert way.
Fields
CFD may eb applied to all physical anc chemical-physical porcesses affected
by fluid flow motion:
Soemexamples:
Air flows in lung, blood flows
Oceanic stream;
Hurrican formation;
Dispersion of pollutants in atmosphere;
Flows around airplanes, cars, boats;
Pumps, compressors, turbines;
Combustion chambers;
Separators;
Cyclones;
Heat exchangers;
Crystallizators
Chemical reactors
Conservation laws
Conservation laws of physics
The mass of a fluid is conserved
The rate of change of momentumequals the sum of the forces on a fluid
particle (Newtons second law)
The rate change of energy is equal to the sum of rate of heat addition to
and the rate of work done on a fluid particle (first law of thermodynamics)
Note:
CONTINUUM HYPOTHESIS
FLUID PARTICLE
FLUID PROPERTIES function of space and time (e.g. u(x,y,x,t))
Mass conservation
Rate increase of mass in fluid element
Net rate of flow of mass into fluid element
Unsteady 3D mass conservation or
continuity equation at a point in a
compressible fluid compressible fluid compressible fluid compressible fluid
Incommpressible fluid Incommpressible fluid Incommpressible fluid Incommpressible fluid
Rate of change following a fluid
particle
LAGRANGIAN APPROACH:
Property is function of position (x,y,z) and time t
SUBSTANTIAL DERIVATIVE (following the fluid particle)
It is possible to develop numerical models for the fluid particle (lagrangian
model) but it is far more common to use an eulerian approach
Rate of change for a fluid element
EULERIAN APPROACH: changes of properties per unit volume for a fluid
particle
Momentum equation
SURFACE FORCES: pressure and viscous forces
BODY FORCES: centifugal, gravity, coriolis, electromagnetic
viscous stresses (
ij
acts in j
direction on surface with normal i)
Momentum equation
Energy equation
Conservation equation for internal energy
Conservation equation for mechanical energy
Energy equation
For a incompressible fluid
c = specific heat
For compressible fluids
h = enthalpy, ho = total enthalpy
Equations vs unknowns
5 EQUATIONS
Continuity (1)
Momentum (3)
Energy (1)
11 UNKNOWNS
2 TD variables (, p, i, T but linked
by equations of state
p = p (, T) and i = i (, T)
come ad es
p = RT and i = c
v
T
Velocity (3)
Viscous stresses (6)
Liquids and gases flowing at low speeds behave as incompressible
fluids: without density variation there is no linkage between the energy
equation and the mass and momentum conservation. The flow field
can be considered mass and momentum conservation only
Viscous stresses
In a Newtonian fluid the viscous stresses are proportional to the rate of
deformation
First (dynamic) viscosity relates the stresses to linear deformation
Second viscosity relates the stress to volumetric deformation
For gases
For liquids
Navier-Stokes equations
Navier-Stokes equations
s
Mx
Navier-Stokes equations
Momentum
Energy
dissipation function is the souce of
internal energy due to deformation
work on fluid particle
Navier-Stokes equations
Compressible fluid
MATHEMATHICALLY CLOSED PROBLEM!
General form of conservation laws
All equations show commonalities ans may be written as:
=1,u,v,w,i (T,ho)
Diffusion coefficient set appropriately
TRANSPORT EQUATION
FOR PROPERTY
DIFFERENTIAL FORM
dV
A n
V
S
General form of conservation laws
Integration on a 3D control volume (CV)
Gausss divergence theorem
INTEGRAL FORM
Rate of change of the
total amount of fluid
property in the control
volume
Net rate of
decrease of fluid
property of the
fluid element due to
convection
Net rate of
increase of fluid
property of the
fluid element
due to diffusion
Net rate of increase
of fluid property as
result of sources
General form of conservation laws
In steady-state problems
For time-dependent problems
Solver Methods
Components of a numerical solution
method: discretization
Flows and related phenomena can be described by partial-differential (or
integro-differential) equations which cannot be solved analitically.
DISCRETIZATION METHOD
approximates the differential equations by a system of algebraic
equations, which can then be solved on a computer.
The approximations are applied to small domains in space and/or time
so the numerical solution provides results at discrete locations in
space and time.
Components of a numerical solution
method: discretization
Numerical results are always approximate:
The differential equations may contain approximations or
idealizations
for many phenomena (e.g. turbulence, combustion, and
multiphase flow) the exact equations are either not available or
numerical solution is not feasible. This makes introduction of
models a necessity. Even if we solve the equations exactly, the
solution would not be a correct representation of reality)
Approximations are made in the discretization process;
Discretization errors can be reduced by using more accurate
interpolation
In solving the discretized equations, iterative methods are
used.
Components of a numerical solution
method
CONVERGENCE
CRITERIA
SOLUTION METHOD
Linearization and iterative
techniques.
FINITE APPROXIMATION
Approximations
for the derivatives at the
grid points for FD
Approximating surface and
volume integrals for FV
NUMERICAL GRID
Structured,
unstructured, etc
REFERENCE SYSTEM
Cartesian, cylindrical coord.etc.
Fixed or moving, etc
DISCRETIZATION
METHOD
Differential eq. Algebraic eq.
(FD, FE, FV)
MATHEMATICAL
MODEL
Set of partial differential
or integro-differential
equations and BCs
NUMERICAL SOLVER
The numerical grid
The grid divides the solution domain into a finite number of subdomains
(elements, control volumes etc.).
Structured (regular) grid
The position of any grid point (or control volume) within the domain is uniquely
identified by a set of two (in 2D) or three (in 3D) indices, e.g. (i, j, k).
Each point has 4 nearest neighbors in 2D and 6 in 3D
This neighbor connectivity simplifies programming and the matrix of the algebraic
equation system has a regular structure, which can be exploited in developing a solution
technique.
Structured grids is that can be used only for geometrically simple solution domains.
It may be difficult to control the distribution of the grid points
The numerical grid
Block-structured grid
which matches at interfaces
which does not match at interfaces
The numerical grid
Unstructured grid
the most flexible type of grid
best adapted to the FVM and FEM
Any shape, but in practice triangles/quadrilaterals in 2D, and tetrahedra/hexahedra in
3D.
disadvantage of the irregularity of the data structure.
Node locations and neighbor connections need be specified explicitly.
The matrix of the algebraic equation system no longer has regular, diagonal
structurereordering of the points.
Solvers are usually slower than those for regular grids.
The numerical grid
Hybrid grid
The numerical grid
Discretization methods
The most common in commercially available CFD
programs are:
Finite Volume method has the broadest applicability
(~80%).
Finite Element (~15%).
Other approaches (5%)
Finite difference (oldest)
Spectral methods.
Boundary element.
Vorticity based methods.
Lattice gas/lattice Boltzmann.

Properties of a numerical solution method:
accuracy
3 kinds of systematic errors:
Modeling errors, difference between the actual flow and the exact
solution of the mathematical model;
Discretization errors, difference between the exact solution of the
conservation equations and the exact solution of the algebraic system
of equations obtained by discretizing these equations;
Iteration errors (convergence errors), difference between the iterative
and exact solutions of the algebraic equations systems.
Discretization methods: Finite Difference
Methods
Oldest method (Euler in the 18th century)
Conservation equation in differential form.
Solution domain covered by a grid
At each grid point, the differential equation is approximated by replacing the
partial derivatives by approximations in terms of the nodal values of the functions
Taylor series expansion or polynomial fitting for the approximations to the first and
second derivatives of the variables with respect to the coordinates.
One algebraic equation per grid node, in which the variable value at that and a certain
number of neighbor nodes appear as unknowns.
ADV:
FDM is very simple and effective on structured grids.
It is easy to obtain higher-order schemes on regular grids
DIS:
Conservation is not enforced unless special care is taken.
Restriction to simple geometries
Discretization methods: Finite Volume
Methods
Conservation equation in integral form
The solution domain is divided into control volumes (CVs), and the conservation
equations are applied to each CV.
At the centroid of each CV lies a computational node at which the variable values are to
be calculated.
Interpolation is used to express variable values at the CV surface in terms of the nodal
(CV-center) values.
Surface and volume integrals are approximated using suitable quadrature formulae.
One algebraic equation for each CV, in which a number of neighbor nodal values appear.
ADV:
any type of grid, ok for complex geometries.
conservative by construction
DIS:
methods of order higher than second are more difficult to develop in 3D. This is due to
the fact that the FV approach requires three levels of approximation: interpolation,
differentiation, and integration.
Finite Volume Methods
Finite Volume Methods
- Numerical grid
- Approximation of surface integrals
- Approximation of volume integrals
- Interpolation
- Upwind interpolation
- Linear interpolation
- Quadratic upwind interpolation
- Higher order-schemes
- Implementation of boundary conditions
- Algebraic equation system
GENERIC CONSERVATION EQUATION
IN INTEGRAL FORM
Numerical grid
The solution domain is subdivided into a finite number of small control volumes
(CVs) by a grid whichdefines the control volume boundaries.
nodes centered in CVs nodes centered in CVs nodes centered in CVs nodes centered in CVs CV faces centered between nodes CV faces centered between nodes CV faces centered between nodes CV faces centered between nodes
Nodal value mean over CV More accurate CDS approximation
Approximation of surface integrals
f = for convective term
f = for diffusive term
Approximation of surface integrals
To calculate the surface integral exactly, we need to knowf everywhere on
the surface S. This information is not available, as only the nodal (CV
center) are calculated.
Two levels of approximation:
1. the integral is approximated in terms of the variable values at one or
more locations on the cell face;
2. the cell-face values are approximated in terms of the nodal (CV
center) values (INTERPOLATION)
Approximation of surface integrals
Approximation 1:
mid-point rule
The value of f at point e should be evaluated from INTERPOLATION of nodal values
(at least with second order accuracy).
trapezoid rule
The value of f at points ne and se (CV corners) should be evaluated from
INTERPOLATION of nodal values (at least with second order accuracy).
Simpsons rule
The value of f at points e, ne and se (CV corners) should be evaluated from
INTERPOLATION of nodal values (at least with four order accuracy, thus with a cubic
polynomial).
2 order accuracy
4 order accuracy
2 order accuracy
Interpolation
Approximation 2: The approximations to the integrals require the values of
variables at locations other than computational nodes (CV centers).
hp , u
j
, are known at all locations
to calculate the convective and diffusive fluxes, the value of and its gradient
normal to the cell face at one or more locations on the CV surface are needed.
INTERPOLATION
Upwind Interpolation (UDS)
Linear Interpolation (CDS)
Quadratic Upwind Interpolation (QUICK)
Higher-Order Schemes
Other scheme
The algebraic equation system
By summing all the flux approximations
and source terms, we produce an
algebraic equation which relates the
variable value at the center of the CV to
the values at several neighbor CVs.
The numbers of equations and
unknowns are both equal to the number
of CVs so the systemis well-posed.
When the ordering scheme is used, the
matrix A is poly-diagonal. This is true
only for structured grids with
quadrilateral or hexahedral CVs; for
other geometries, the matrix structure
will be more complex, but it will always
be sparse.
Solution of Linear Equation
Systems
Solution of linear equation systems
Discretization of the convection-diffusion equation with FDM and FVM methods
systemof algebraic equations, which are linear or non-linear according to the
nature of the partial differential equation
Direct methods:
Gauss elimination
LU decomposition
TDMA
Iterative methods
out of necessity for non-linear
problems
Direct methods:
Gauss elimination
LU decomposition
TDMA
Iterative methods
out of necessity for non-linear
problems
In an iterative method, one guesses a
solution, and uses the equation to
systematically improve it.
If each iteration is cheap and the
number of iterations is small, an
iterative solver may cost less than a
direct method (in CFD problems this
is usually the case)
Direct methods: Gauss elimination
The idea is to eliminate A
21
by replacing it with 0
1 row x A
21
/ A
11
2 row (1 row x A
21
/ A
11
)
Etc
Using the last equation
the ith equation yields i
Number of operations O = n
3
/3
Back substitution requires O = n
2
/2, thus is much more less costly than the forward
elimination
Pivoting techniques
FORWARD FORWARD FORWARD FORWARD
ELIMINATION ELIMINATION ELIMINATION ELIMINATION
BACK SUBSTITUTION BACK SUBSTITUTION BACK SUBSTITUTION BACK SUBSTITUTION
HIGH COST HIGH COST HIGH COST HIGH COST
Iterative methods
After n iterations we have an approximate solution
n
which does not satisfy these
equations exactly.
iteration error
residual
The purpose of the iteration procedure is to drive the residual to zero
Iterative scheme
To converge
More generally (P preconditioning matrix)
Correction or update Correction or update Correction or update Correction or update
(approximation of the iteration (approximation of the iteration (approximation of the iteration (approximation of the iteration
error) error) error) error)
Convergence Criteria and Iteration Errors
It is important to know when to quit.
The most common procedure is based on the difference between two
successive iterates;
Unfortunately, this difference may be small when the error is not small and a
proper normalization is essential.
Iteration error
norm
Solution methods for unsteady
problems
Unsteady problems
Time must be discretizedtime grid
The major difference between the space and time coordinates lies in the
direction of influence: whereas a force at any space location may (in elliptic
problems) influence the flow anywhere else, forcing at a given instant will
affect the flow only in the future (parabolic-like in time)
To be faithful to the nature of time, essentially all solution methods
advance in time in a step-by-step (marching" manner)
Methods are very similar to ones applied to initial value problems for ordinary
differential equations (ODEs)
Methods for Initial Value Problems in
ODEs: Two Level Methods
Two-Level Methods
first order ODE with an initial condition
find the solution a short time t after the initial point.
the solution at t1= to + t, can be regarded as a new initial condition and the
solution can be advanced to t2 = tl + t,. . .
the simplest methods can be constructed by integrating the eq from to tn+l =
tn + t :
Methods for Initial Value Problems in
ODEs: Two Level Methods
EXPLICIT OR FORWARD EXPLICIT OR FORWARD EXPLICIT OR FORWARD EXPLICIT OR FORWARD
EULER EULER EULER EULER
IMPLICIT OF BACKWARD IMPLICIT OF BACKWARD IMPLICIT OF BACKWARD IMPLICIT OF BACKWARD
EULER EULER EULER EULER
MIDPOINT RULE MIDPOINT RULE MIDPOINT RULE MIDPOINT RULE
TRAPEZOID RULE TRAPEZOID RULE TRAPEZOID RULE TRAPEZOID RULE
implicit methods
Methods for Initial Value Problems in ODEs:
Predictor-Corrector Methods
Explicit methods
easy to program
little computer memory and
computation time per step
unstable if the time step is large.
Implicit methods
harder to program as they require
iterative solution to obtain the values
at the new time step.
more computer memory and time
per time step,
much more stable.
Predictor-Corrector methods
The solution at the new time step is predicted using the explicit Euler method:
the solution is corrected by applying the trapezoid rule using *
n+1
, to compute
the derivative
Second order
accurate!
Solution of the Navier Stokes
equations
Navier-Stokes equations
Steady 2D flow Steady 2D flow Steady 2D flow Steady 2D flow
Why a special discussion for NS?
Non liner terms
Intrinsicately coupled equations as each
velocity component appears in all equations
Pressure appears in both momentum equation
but there is no trasport equation for pressure!
Generally the pressure gardient is not known
For compressible flows we can obtain density
form continuity eq. and temperature form
energy eq. p = p (density, T)
For compressible flows teh density is constant
and not linked to pressure
The coupling between
pressure and velocity
introduces a constaint in he
velocity field!
Variable storage
Where can we store velocities?
It seems logical to store them at the same
locations as for pressure, temperature and
the other scalar variables, however, if both
velocities and pressures are stored at the
nodes of CVs a highly non uniform pressure
fiels can act like an uniform field in the
discretized momentum equations
ZERO! ZERO! ZERO! ZERO!
Staggered grid
Evaluate scalar variable
(pressure, density, T, etc.) at
ordinary nodal points
Evaluate velocities on a
staggered grid centred around
the cell faces
In the staggered grid
arrangment:
In the staggered grid arrangment
velocity are calculated exactly
where they are required for the
scalar transport-diffuxion
computations
Storage locations for v velocities
Storage locations for u velocities
NON ZERO! NON ZERO! NON ZERO! NON ZERO!
BACKWARD STAGGERED GRID
Discretized momentum equations
The discretized u momentum equation at
location (i, J) is:
The neighbours are: (i-1,J), (i+1,J), (i,J-1),
(i,J+1)
a
nb
a
iJ
are calculated through an interpolation
method (upwind, QUICK, etc.)
a combination of convective (F) and diffusive (D)
fluxes is contained in a
nb
a
iJ
Ex. in (i-1, J)
during each iteration the u and v vel components
used to evaluate the coefficients are derived
from previous iteration steps (or initial guessed
condition at first iteration)
Discretized momentum equations
Given a pressure field p, dicsretized momentumequations can be written for each u and v
control volumes and then solved to obtain the velocity field
If pressure is correct the velocity field will satisfy continuity
If the pressure field is unknown we need a method for calculating pressure
u,v unknown u, v known from previous step
Pressure-velocity coupling: SIMPLE
Semi Implict Method for Pressure Linked Equations (SIMPLE)
developed by Patankar and Spalding (1972)
it is a guess-and-correct procedure for the calculation of pressure on the staggered grid
arrangment
Method
A pressure field p* is guessed
The discretized momentumequations are solved
a pressure correction p
p = p*+p
velocity corrections u and v
u = u*+u v = v*+v
The correct pressure field in the momentumequations gives the correct velocity field.
Manipulating the equations:
SIMPLE
The velocity field should satisfy continuity:
NEGLECTED to simplify the equstions:
MAIN APPORXIMATION OF SIMPLE!
EQUATION FOR PRESSURE CORRECTION
SIMPLE
the pressure correction equations can diverge unless some under-relaxation is used
pressure under-relaxation
velocity under-relaxation
EQUATION FOR PRESSURE CORRECTION
b
I,J
SIMPLE
start
initial guess p*, u*, v*, *
STEP 1 solve discretised momentumequations
STEP 2 solve pressure correction equation
STEP 3 correct pressure and velocities
STEP 4 solve all other discretised transport
equations (for )
u*, v*
p
p
I,J
= p
I,J
*+p
I,J

p, u, v, *
convergence?
stop

set
p* = p
u* = u
v* = v
* = ,
NO
YES
64
Turbulent flows
Large Structure
Small Structure
65
Turbulence
In a turbulent flow the instantaneous velocity u(t) can be decomposed
into a meas value U and a fluctuating component u(t) (Reynolds
decomposition)
( ) ( ) ( )
i i i i i
u U t x u t x u t x u ' , , ,
'
+ = + = ( ) 0 ,
'
= t x u
i
Point velocity measurement in a turbulent flow
66
Descriptors of turbulence
Turbulent kinetic energy = sum of rms/2
Turbulent intensity
Probability Density Function: fraction of time that a fluctuating signal spends
between and *
Mean
Higher moments
*) * * ( * *) ( d PROB d P + < < =
( ) ( ) ( )

+

= ' ' ' ' d P
n n
( )

+

= d P
67
Turbulence
4
1
3
|
|

\
|
=

k
2
1
4
1
4
3
L
k
L
L
k
L
k
Re Re
u
u
Re
L
= = =

3 hypothesis:
Kolmogorovs hypothesis of local isotropy: at sufficiently
high Re the small scale turbulent motions (l<<L) are
statistically isotropic (<u
i
2
>=<u
j
2
>=<u
k
2
>).
Kolmogorovs first similarity hypothesis: in every turbulent
flow at sufficiently high Re, the statistics of small scale
motions (l<l
EI
) have an universal form that is uniquely
determined by e .
Kolmogorovs second similarity hypothesis: in every
turbulent flow at sufficiently high Re, the statistics of the
motions of scale l in the range L >> l >>
k
have an
universal form that is uniquely determined by ,
independently on .
2
1
|

\
|
=

k
( )4
1
=
k
u
Scale di Kolmogorov
Length
Time
Velocity
Big whorls have little whorls
That feed on their velocity
And little whorls have lesser whorls
And so on to viscosity
L. Richardson
68
Energy spectrum
wave number = 2/l.
Turbulent kinetic energy
The energy spectrum represents the
energy contained in the eddied with
wave number (length l=2/).
The turbulent kinetic energy is the
integral of E() over all wave numbers
Energy containing range Inertial subrange Dissipation range
Transfer of energy to
smaller scales

k
l
DI
l
EI
L
Production P Dissipation

=
=
3
1
2
'
2
1
i
i
u k
69
Flat plate boundary layer: inner region
Linear or viscous sub-layer (y
+
<5)
hp
w
~ constant
Log-law layer (30<y
+
<500)
viscous and turbulet effects are both
important
varies slowly with y
Inner region (y<0.2)
-linear or viscous sub-layer
-buffer layer
-log-law layer (0.02<y<0.2)
Quter region (y>0.2)
Von Karmans constant Von Karmans constant Von Karmans constant Von Karmans constant = 0.4 = 0.4 = 0.4 = 0.4
additive constant B = 5.5 (E=9.8) additive constant B = 5.5 (E=9.8) additive constant B = 5.5 (E=9.8) additive constant B = 5.5 (E=9.8)
70
Modeling approaches for turbulent flows
Direct Numerical Simulation (DNS)
Navier-Stokes are directly resolves;
Only for low Re;
Powerful research tool.
Large Eddy Simulation (LES)
Largest (energetic) eddies are resolved
Smallest (universal) eddies are modelled
Reynolds-average Navier-Stokes (RANS)
All turbulent scales are modelled
Performance dependent on turbulence model
APPROXIMATION APPROXIMATION APPROXIMATION APPROXIMATION
COMPUTATIONAL COST COMPUTATIONAL COST COMPUTATIONAL COST COMPUTATIONAL COST
Hybrid models (e.g. Detached-Eddy Simulation, DES)
' '
' '
T u
u u
i
j i
' '
' '
T u
u u
i
j i
71
Direct Numerical Simulation (DNS)
transient solution on a sufficiently fine mesh with sufficiently small steps
to resolve the smallest turbulent eddies and the fastest fluctuations,
providing:
accurate determinatoin of turbulent parameters
instantaneous results which cannot be easily measured
validation of advanced experimental techniques
very high computational cost
spatial resolution
temporal resolution
stiffnessad hoc implicit and explicit methods
time steps adjusted so that fluid particles do not move more than one mesh
spacing
4 / 9
3
L
k
celle
Re
L
N =
|
|

\
|

2 / 1
L
k
L
t
Re N =

4 11
Re
/
t celle
N N time CPU
Integral scale
Kolmogorov scales
72
Direct Numerical Simulation (DNS)
ADVANTAGES
High fidelty data;
No validation against experiments
Powerful research tool
DISADVANTAGES
Only for low Re
Always 3D;
Real BCs
Particle-laden jet,
Longmire and
Eaton
(JFM, 1992)
Boundaries
of a DNS
domain
73
Reynolds-averaged Navier Stokes Equation
(RANS)
RANS RANS RANS RANS
74
Reynolds-averaged Navier Stokes Equation
(RANS)
Additional 3 normal and 3 shear stresses:
Normal stresses are always non-zero
The correlation between pais of differennt velocity due to the vortical structures ensures
that also the turbulent shear stresses are non zero
REYNOLDS STRESSES REYNOLDS STRESSES REYNOLDS STRESSES REYNOLDS STRESSES
75
Reynolds-averaged Navier Stokes Equation
(RANS)
Reynolds stress are 6 additional unknowns
10 unknowns:
1 pressure (1);
3 velocity components
6 Reynolds stresses
4 equations:
1 continuity
3 momentum
CLOSURE PROBLEM! CLOSURE PROBLEM! CLOSURE PROBLEM! CLOSURE PROBLEM!
TURBULENCE MODELS TURBULENCE MODELS TURBULENCE MODELS TURBULENCE MODELS
to predict the Reynolds stresses
Eddy viscosity or eddy
diffusivity models
Direct models
76
RANS: eddy viscosity models
Hypothesis: analogy betweem the action of viscous stresses and Reynolds stresses
on the mean flow (BOUSSINESQ HYPOTHESIS)

t
= TURBULENT OR EDDY VISCOSITY
Turbulent transport of scalar is taken proportional to the gradient of the mean
value of the trasported quantity

t
= TURBULENT OR EDDY DIFFUSIVITY
Viscous stresses are proportional to
the deformation rate
ij
i
j
j
i
t j i ij
k
x
U
x
U
u u
3
2

|
|

\
|

= =
similar to viscous stresses similar to viscous stresses similar to viscous stresses similar to viscous stresses
This term ensures a correct This term ensures a correct This term ensures a correct This term ensures a correct
results for the normal results for the normal results for the normal results for the normal
Reynolds stresses Reynolds stresses Reynolds stresses Reynolds stresses
Since the turbulen transport
of momentum and heat or
mass is due to the same
mechanism, eddy mixing,
we expect that the value of
t
and
t
are closed Turbulent Prandtl/Schmidt Turbulent Prandtl/Schmidt Turbulent Prandtl/Schmidt Turbulent Prandtl/Schmidt
numberalmost constant numberalmost constant numberalmost constant numberalmost constant
77
RANS: eddy viscosity models
:
t
constant in all
directions the ratio between
Reynolds stress and the mean
deformation rate is the same in
all direction isotropic
turbulence
Navier- Stokes equation
RANS
Closure problem:
Reynolds Stresses?
Problem:
eddy viscosity?
Reynolds decomposition
EDDY VISCOSITY MODELS
(Boussinesq hypothesis)
Mixing length model
k- model
k- model
DIRECT MODELS
Reynolds stress
models
Anisotropic turbulence
Algebraic stress
models
78
RANS: mixing length model
Kinematic turbulent viscosity
Simple 2D flows
Velocity scale
Eddy length scale l
PRANDTLS MIXING PRANDTLS MIXING PRANDTLS MIXING PRANDTLS MIXING
LENGTH MODEL LENGTH MODEL LENGTH MODEL LENGTH MODEL
79
RANS: standard k- model
The extact derivation of the transport equation for leads to many unknowns and
unmeasurable variables
equation in the standard k- model is based on the understanding of the relevant
processes
The small eddy variable is used to define a large eddy scale; however at high Re, the
rate at which large eddies extract energy from the mean flow is equal to the rate of
transfer of energy across the spectrum tosmall dissipating eddies
Velocity scale Velocity scale Velocity scale Velocity scale
Length scale Length scale Length scale Length scale
80
RANS: standard k- model
Prandtls numbers

and

connect the diffusivities of k and e to

t
Production and distruction of are proportional to those of k
Launder and Spalding (1974)
81
RANS: standard k- model
ADVANTAGES
Simple model
Well established
Stable
Well for many industrial flows
DISADVANTAGES
Poor performances for some
unconfined flows
Poor performances for flows with
extra strains
Poor performances for rotating flows
Poor performances for flows drive by
anisotropy of normal Reynolds
stresses
Problems with RANS:
-Low Re number flows
Inaccuracy of log law
-Rapidly changing flows
In 2 eq. Models the Reynolds
stresses are proportional to the
deformation rate but this
holds only when production
and dissipation of k are in
balance
-Stress anisotropy
-Adverce pressure gradients
and recirculation regions
-Extra strains (curvature,
rotation)
82
RANS: Menter SST k- model
Menter (1992) : the k- model is much less dependent on the assumed free stream
value, but its near wall performance in unsatisfactory with boundary layers with
adverse pressure gradients.
Hybrid model
Standard k- in the fully turbulent region
Transformation of k- into k- in the near wall region (the equation is transformed in
the equation by substituting =k
Improvements with respect to k-
Revised model constants
k
=1,
,1
=2,
,2
=1.17,
2
=0.44,
2
=0.083,
*
=0.09
Blending functions to avoid numerical instabilities
C1 and C2 are of the original and modified k- model, respectively (F
C
= 1 in far field)
Limiters to eddy viscosity
( ) ( )
k k
ij
j
i
ij ij
t
x x
k
x
U
E E grad div div
t

+
|
|

\
|

+
(
(

|
|

\
|
+ = +

2 ,
2
2 2
1 ,
2
3
2
2 U
Extra term! Extra term! Extra term! Extra term!
( )
2 1
1 C F C F C
C C
+ =
83
RANS: Reynolds stress model (RSM)
6 trasport equation for the kinematic Reynolds stress
Production P
ij
Diffusion D
ij
Dissipation
ij
Transport of R
ij
by turbulent-pressure strain interactions
ij
Trasport due to rotation
ij
1 eq. for
Lots of constants! Lots of constants! Lots of constants! Lots of constants!
84
RANS: Reynolds stress model (RSM)
BCs
Inlet: distribution of R
ij
and must be given
Outlet/simmetry axis:
Free stream: distribution of R
ij
= 0and = 0 are given or
solid walls: solid wall functions relating R
ij
to k or u
t
Low Re versions of the model are available
ADVANTAGES
Potentially the most geeneral model
Accurate calculation of all Reynolds stresses
Well for complex flows as wall jest, axysmmetric channel, noncircular ducts and curved
flows
DISADVANTAGES
Very large computational cost (7 additional PDEs)
Not as widely validated as the k- model
Performs as poorly as the k- model for some flows due to the same problem on the
equation
Convergence problems
0 = n R
ij
0 = n
0 = n R
ij
0 = n
85
Large Eddy Simulation (LES)
Turbulent flow
Large energetic eddies are resolved
Small universal eddies are modelled
FILTER FILTER FILTER FILTER to separate small and large eddies
LES
RANS
DNS
86
LES: filtering
Spatial filtering of unsteady Navier Stokes equations
( ) ( ) ( )
3 2 1
' ' ' , , dx dx dx t G t x' , x' x, x

+

+

+

=
Filtered function Filtered function Filtered function Filtered function
Unfiltered function Unfiltered function Unfiltered function Unfiltered function
Filter cutoff width Filter cutoff width Filter cutoff width Filter cutoff width
Spatial filtering Spatial filtering Spatial filtering Spatial filtering
87
LES: filtering functions
Top-hat or box filter
Gaussian filter
Spectral cutoff
( )

>
<
=
2 0
2 1
3
x' - x
x' - x
, x' x, G
( ) 6 exp
2
2 2 3
2
=
|
|

\
|

\
|

x' x
, x' x, G
( )
( )
( )

=


=
3
1
'
' sin
i i i
i i
x x
x x
G , x' x,
In principle the cutoff width
can be of any size, but with
FVM it does not make sense to
use a filter smaller than the
grid size
Take the cutoff width
of the same order of the
grid size
3
z y x =
Gaussian
Sharp Fourier
cutoff
Tophat
Unfiltere
d
88
LES: filtered Navier Stokes equations
( )
( ) ( ) ( )
( ) ( ) ( )
( ) ( ) ( )
w
v
u
S w grad div
z
p
w div
t
w
S v grad div
y
p
v div
t
v
S u grad div
x
p
u div
t
u
div
t
+ +

= +

+ +

= +

+ +

= +

= +

u
u
u
u 0
( )
( ) ( ) ( )
( ) ( ) ( )
( ) ( ) ( ) w grad div
z
p
w div
t
w
v grad div
y
p
v div
t
v
u grad div
x
p
u div
t
u
div
t
+

= +

= +

= +

= +

u
u
u
u 0
FILTERING FILTERING FILTERING FILTERING
0 for incompressible
flows
( )
( ) ( ) ( ) ( ) ( ) ( )
( ) ( ) ( ) ( ) ( ) ( )
( ) ( ) ( ) ( ) ( ) ( ) u u u
u u u
u u u
u
w div w div w grad div
z
p
w div
t
w
v div v div v grad div
y
p
v div
t
v
u div u div u grad div
x
p
u div
t
u
div
t

= +

= +

= +

= +

0
( ) ( )
j
ij
i i
x
u div u div

u u
j i j i ij
u u u u =
SUB SUB SUB SUB- -- -GRID SCALE STRESSES GRID SCALE STRESSES GRID SCALE STRESSES GRID SCALE STRESSES
89
LES: SGS stresses
( )( )
( )
j i j i j i j i j i
j i j i j i j i j i j i j j i i j i j i ij
u u u u u u u u u u
u u u u u u u u u u u u u u u u u u u u
' ' ' '
' ' ' ' ' '


+ + + =
= + + + = + + = =
Leonard stresses
Effects at the
resolved scale
cross-stresses
Interactions between
SGS ans resolved
eddies
LES Reynolds
stresses
Convective
momentum transfer
due to interactoins
between SGS eddies
( )
j i j i ij
u u u u L =
j i j i ij
u u u u C ' ' + =
j i ij
u u R ' ' =
THE SGS STRESSES MUST BE MODELLED! THE SGS STRESSES MUST BE MODELLED! THE SGS STRESSES MUST BE MODELLED! THE SGS STRESSES MUST BE MODELLED!
90
LES: Smagorinsky-Lilly SGS model
Smagorinsky (1963) suggested that since the smallest turbulent eddies are almost
isotropic, the Bossinesq hypothesis ay provide a good representation of the effect
of the unresolved eddies on the resolved flow
The local SGS stresses R
ij
are taken proportional to the local rate of strain of the resolved
flow
Peyret and Krause (2000) noticed that for most applications the whole stresses
ij
can be
taken proportional to the local rate of strain of the resolved flow
SGS viscosity
ij ii
i
j
j
i
SGS ij ii ij SGS ij
R
x
u
x
u
R E R
3
1
2
3
1
2 +
|
|

\
|

= + =
ij ii
i
j
j
i
SGS ij ii ij SGS ij
x
u
x
u
E
3
1
2
3
1
2 +
|
|

\
|

= + = SGS turbulence model SGS turbulence model SGS turbulence model SGS turbulence model
( ) ( )
|
|

\
|

= = =
i
j
j
i
ij ij ij SGS SGS SGS
x
u
x
u
E E E C E C
2
1
2 2

91
Large Eddy Simulation
Filtered with width = 8D
Filtered with width = 4D
DNS
FLOW OVER A FLAT PLATE FLOW OVER A FLAT PLATE FLOW OVER A FLAT PLATE FLOW OVER A FLAT PLATE
Multiphase flows
2D
p
v
r
r p c
c
v D n f
2
1 1

= =
t
c
= particle-particle collision time
t
p
= particle response time
c
p p
p
D

18
2
=
DILUTED FLOWS
Negligible particle-particle interactions
Negligible particle-particle collisions
Negligible particle-particle collisions
Negligible fluid-particle interaction
particle spacing > 5 D
p

1/3
<<1
DENSE FLOWS
The particle motion is mainly controlled by particle-
particle collisions
No flow is completely dilute or dense but one regime or
the other may be more descriptive.
t
p
= particle response time
t
c
= particle-particle collision time
t
int
= turbulent particle-eddy interactions
t
int
= turbulent particle-eddy interactions

= local integral-scale eddy lifetime

= eddy integral lengthscale
V

= rms of turbulent fluctuations of conituous

phase
t
tra
= time for a particle to traverse the eddy
2 2 2
int
1 1 1
tra

+ =

= V /
term tra
V / =
Diluted vs. dense flows
Turbulent dispersion
Does turbulence fo the continuous phase affect the particle motion?
It depends on the Stokes number
The Stokes number indicates how quickly a paticle follows a flow eddy
1 Integral Stokes number St
L
(t
f
= t
L
)
2 Kolmogorov Stokes number St
k
(t
f
= t
k
)
St
k
<<1 instantaneous dispersion
St
L
>>1 negligible dispersion
f
p
St

=
Phase coupling
dispersed flow
dense flow
dilute flow
.
sparse flow
One-way coupling
continuous fluid affects particle motion, i.e.
particle trajectory rotated by vortex
Two-way coupling
As above plus particle motion affects continuous
fluid motion, e.g. particle wake changes turbulent
dissipation
Three-way coupling
As above plus particle disturbance of the fluid
locally affects another particles motion, e.g.
drafting found for a trailing particle
Four-way coupling
Above plus particle collision affects motion of
individual particels, e.g particle-particle reflection
High-frequency of collisions, e.g. energetic
fluidised beds
High-frequency of contact, e.g. nearly settled beds
collision dominated flow
contact dominated flow
i
n
c
r
e
a
s
i
n
g

m
a
s
s

o
r

v
o
l
u
m
e

f
r
a
c
t
i
o
n

Modeling multi-phase flows
What is the goal of the simulation?
Which effects are important?
Controlled by which hydrodynamic effects?
Controlled by which other transport phenomena
effects?
All these factors influence which model to choose
for the analysis.
From A. Bakker
Flow Specific
bubbly
droplet
particle-laden
slug
annular
stratified/free surface
rapid granular flow
Model Specific
Lagrangian Dispersed Phase
Algebraic Slip
Eulerian
Eulerian Granular
Volume of Fluid
?
Process Specific
Separation
Filtration
Suspension
Evaporation
Reaction
Main approaches for multi-phase
flows
Continuum phase treated as for single-phase (RANS, LES, DN)
Dispersed phase: Eulerian or Lagrangian approach
2 approacches:
Eulerian-Eulerian approach
Lagrangian-Eulerian (Particle Tracking) approach
Eulerian/Eulerian
k = 1 conitnuum phase, k = 2 dispersed phase
Eulerian/Lagrangian
Continuum phase
Dispersed phase
Lagrangian/Eulerian approach
One-way coupling Two-way coupling
Approaches for multi-phase flows
In both approaches (E/E and E/L) the phase equations are coupled by interaction
terms between the phases:
Interaction due to momentumtrasnfer (e.g. drag force due to velocity slip)
For E/E :
For E/L the drag force appears in the equation of the dispersed phase (L)
and in the momentumequation of teh continuum phase (E)
Interactions due to mass transfer (evapolation, devolatilization, etc) and
energy trasnfer
Main approaches for multi-phase
flows
Eulerian/Eulerian
ADVs:
Simple model
Lower computational cost than L/E model
Same numerical treatment for all phases
(risolutore numerico e griglia)
DISs
Difficult modeling of relevant phenomens
Lagrangian/Eulerian
ADVs:
Better account for dimensional distribution
of particles, droplets or bubbles
Detailed modeling of phenomena for
particles (particle-wall collision, particle-
particle collision), bubbles (coalescence) or
droplets (break-up).
CONs
Hoigh computational cost with many
particles
Difficult if the particle dimension is higher
than the volume of the fluid
Usually E/L for volume fractions of the
dispersed phase <10%
Other models: Algebraic Slip Model
(ASM)
Solves one set of momentum equations for the mass averaged velocity and tracks
volume fraction of each fluid throughout domain.
Assumes an empirically derived relation for the relative velocity of the phases.
RESTRICTIONS
Applicable to low particle relaxation times < 0.001 - 0.01s.
One continuous phase and one dispersed phase.
No interaction inside dispersed phase.
One velocity field can be used to describe both phases.
No countercurrent flow
No sedimentation.
Other models: ASM
Continuity equation for the mixture
One equation for the transport of volume fraction of one phase
One equation for the momentum of the mixture
Mixture density
Drift velocity
Mass weigthed average velocity
Empirical correlation to
calulate the slip velocity
between the two phases
Other models: Volume of Fluid (VOF)
Appropriate for flow where Immiscible fluids have a clearly defined interface.
Shape of the interface is of interest
Typical problems:
Jet breakup
Motion of large bubbles in a liquid
Steady or transient tracking of any liquid-gas interface
Inappropriate for:
Flows involving small (compared to a control volume) bubbles
Bubble columns
Volume of Fluid (VOF) model
Assumes that each control volume contains just one phase (or the interface
between phases).
For volume fraction of k
th
fluid, three conditions are possible:

k
= 0 if cell is empty (of the k
th
fluid)

k
= 1 if cell is full (of the k
th
fluid)
0 <
k
< 1 if cell contains the interface between the fluids
Tracking of interface(s) between phases is accomplished by solution of a volume
fraction continuity equation for each phase:
Multiple interfaces can be simulated
Can not resolve details of the
interface smaller than the mesh size
k
S
x
u
t
i
k
j
k

= +
105
Reactive flows
106
Reactive flows
Transport equation for chemical speciess
Y
k
= mass fraction of the k-th species
D
k
= diffusion coefficient of the k-th species (m2/s)
Energy equation
( ) ( )
k k k k
k
gradY D div Y div
t
Y

& + = +

U
Reaction source: Reaction source: Reaction source: Reaction source:
generation or distruction generation or distruction generation or distruction generation or distruction
of chemical species kdue of chemical species kdue of chemical species kdue of chemical species kdue
to chemical reaction to chemical reaction to chemical reaction to chemical reaction
( ) ( ) ( )
rad k
N
k
k
k k h
S
t
p
Y grad h
Sc
h grad div h div
t
h
+

+
(

|
|

\
|
+ = +

=1
1 1

U
Net rate of increase
of enthalpy due to
diffusion along
gradients of
enthalpy
Net rate of increase of
enthalpy due to mass
diffusion along
gradients of species
concentration
Net rate of
increase of
enthalpy due to
pressure work
Net rate of
increase of
enthalpy due to
radiative heat
transfer
107
Kinetic schemes
Based on the Arrenhius equation
Chemical kinetic schemes:
Complete
Detailed/skeletal
Semiglobal
Global
107
Detailed scheme
Semiglobal scheme
108
Favre-averaged Navier Stokes equations
(FANS)
With reactions there are generally strong variations of density because of heat
releaseneed for a different average than the Reynolds average
Favre average
i
i
i
u
u
u

= =

i
i
u
u =
' '
i i i
u u u + =
We need to close:
Reynolds stresses Turbulence model
Turbulent fluxes of heat and species
gradient trasnport hypothesis
Moleculas fluxes of heat and species
Reaction rates of chemical
speciesCombustion models
Radiative fluxRadiation models
i
k
t k
t
i k
x
Y
Sc
u Y

' ' ' '

i t
t
i
x
h
u h

=
Pr
' ' ' '

0 =

i
i
x
u
t

k
i
k
i
i
i k
i
i k k
w
x
J
x
u Y
x
u Y
t
Y
& +

' ' ' '

j
i
ij
j i
i j
i
i j j
g
x x
p
x
u u
x
u u
t
u

' ' ' '

( )
rad i i ij i
h
i
i i
' '
i
' '
i
i
Q F u u J
x x
u h
x
u h
t
h
&
+ + +

109
Turbulence-chemistry interaction
The reaction rate in a turbulent flow depends on :
Chemicl kinetics
Mixing of reactants
Reactions, because fo
heat release or
removal, modify
strongly density and
viscosity, leading to
strong accelerations
CHEMISTRY
TURBULEN
CE
Turbulence helps
mixing, but if it is too
strong may lead to
extintion
Picture from Faravellis group, POLIMI
L r C
T
S
u l
Da
/
/
'

= =
Damkohler number Damkohler number
110
Combustion models
Primitive Variable Approach (PVA)
assumptions are made on the flame structure
to provide conditional quantities (Yk|z) and (T
|z), for example from flamelet (or laminar
flame) libraries or through balance equations
(CMC modeling).
Species mass fractions and temperature
balance are not solved
The flame structure is determined offline as a
function of the primitive variable
Lower computational cost than RRA
Reaction Rate approach (RRA)
balance equations for species mass
fractions and, eventually, for
temperature, are solved.
Reaction rates have to be modeled
online (EDC, PASR) or off-line (using
laminar flame libraries
High computational cost
High accuracy
Eddy Dissipation model
Magnussen and Hjertager (19)
Irreversible 1-step reaction F+rO(1+r)P
111
turbulent mixing controls the reaction rate
fuel consumption rate

oxidiser consumption rate

product formation rate

Reaction rate = min (

Reaction rate = min (

112
Eddy Dissipation/Finite Rate
Irreversible 1-step reaction F+rO(1+r)P
the kinetics controls the reaction rate

turbulent mixing controls the reaction rate

fuel consumption rate

oxidiser consumption rate

product formation rate

Reaction rate = min (

Reaction rate = min (

113
Eddy Dissipation Concept
FINE STRUCTURES
Homogeneous and isobaric
reactor
Perfectly Stirred Reactor

Fine
structures
T*, c*i, *
T, ci,
heat loss

m&

m&
RANS CODE VARIABLES
Fine
structures
T*, c*i, *
T, ci,
heat loss
0
ci

m&
Primitive variable approach
The principal ingredients to describe
turbulent flames stemfrom laminar
flames and are:
PROGRESS VARIABLE c for premixed
flames
c=0 for fresh gases
c=1 for products
MIXTURE FRACTION Z for premixed
flames
Z = 1 in the fuel
Z=0 in the oxidiser
114
115
Turbulent diffusion flames
Turbulent non premixed flames
can be seen like an ensamble of
laminar flamelets with fluid
dynamics characteristics
dependent on the stretching of
the turbulent flame
Picture from Prof. Faravellis group, POLIMI