MATHEMATICAL MODELING OF TRANSPORT PHENOMENA

THE DISTRIBUTION OF A DEPENDENT VARIABLE IS GOVERNED BY CONSERVATION EQUATIONS

WHICH ARE GENERALLY NON-LINEAR, COUPLED PARTIAL DIFFERENTIAL EQUATIONS

CONSERVATION EQUATIONS REPRESENT A BALANCE OF FLUXES IN AN ELEMENTAL VOLUME.

 J x J y
(  ) + + = S
t x y
STORAGE EFFLUX GENERATION

JX = u − ( x )
 
TOTAL CONVECTION DIFFUSION
FLUX

GENERAL DIFFERENTIAL EQUATION

    

(  ) + ( ui ) =   + S
t xi xi
 xi 

t
(  ) + (
div u  ) = div ( grad  ) + S

UNSTEADY CONVECTION DIFFUSION SOURCE

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CONSERVATION OF MASS: =1

   
+ ( u ) + ( v ) = 0 ; + ( u ) = 0
t x y t
CONSERVATION OF MOMENTUM  = u or v

    u   u  P
( u ) + ( uu ) + ( vu ) =    +    − + S x
t x y x  x  y  y  x

    v   v  P
( v ) + ( uv ) + ( vv ) =    +    − + S y
t x y x  x  y  y  y

Sx = Bx + Ex + Fx

BODY EXTERNAL DISTRIBUTED

FORCE FORCE RESISTANCE

CONSERVATION OF ENERGY

     T    T 
t
(
c pT + )
x
(
c puT +
y
) (
c pvT =  k
x  x
)  + k
 y  y
+S

S= HEAT GENERATION PER UNIT VOLUME

CONSERVATION OF CHEMICAL SPECIES

    m   m 
( mi ) + ( umi ) + ( vmi ) =   i  +   i  + R
t x y x  x  y  y 

R= VOLUMETRIC GENERATION RATE OF SPECIES

DICRETISATION METHODS

• THE TASK OF A DISCRETISATION METHOD IS TO REDUCE THE GOVERNING DIFFERENTIAL EQUATION

INTO A SYSTEM OF ALGEBRAIC EQUATIONS AT A DISCRETE SET OF POINTS, AND THEN TO SOVE IT.
• TYPICAL DISCRTISATION EQUATION.

aij vij = bij vi+1, j + cij vi−1, j

+ dij vi, j+1 + eij vi, j−1

+ fij

• DISCRETISATION METHODS: TAYLOR SERIES METHOD, VARIATONAL FORMULATION, METHOD OF

WEIGHTED RESIDUALS, COLLOCATION METHOD, CONTROL VOLUME METHOD
• DISCRETISATION EQUATIONS ARE DIFFERENT, BUT IN THE LIMIT OF MESH SIZE →0 , THEY SHOULD
ALL YIELD THE SAME SOLUTION.

HEAT CONDUCTION

 ( ) + S = 0 (POISSON EQUATION)

MANY PHYSICAL PROCESSES ARE GOVERNED BY ABOVE EUATION. EXAMPLES ARE:

POTENTIAL FLOW
HEAT CONDUCTION
MASS DIFFUSION
FLOW THROUGH POROUS MEDIA
LUBRICATION FLOWS
FULLY DEVELOPED DUCT FLOWS

CONDUCTION EQUATION

  T    T 
k + +S =0
x  x  y  y 
k

FULLY DEVELOPED DUCT FLOW

  w    w  dP
  +  − +S =0
x  x  y  y  dz

-----------------------------------------------------------------------------------------------------------------

STEADY ONE-DIMENSIONAL EQUATION

  T 
k  +S =0
x  x 

INTEGRATE OVER CONTROL VOLUME

e
 T   T 
k  − k  +  Sc + S pTp dx = 0
 x e  x  w w
( )
LINEAR PROFILE ASSUMPTION FOR TEMPERATURE

( )
ke (TE − TP ) xe − kw (TP − Tw ) xw + Sc + S pT p X = 0

aPTP = aETE + aW TW + b

aE = ke xe , aW = kw xw

aP = aE + aW − S P x , b = Sc x

IN GENERAL

aPTP =  aNb TNb + b

FOUR RULES

CONSISTENCY OF FLUX ACROS CONTROL VOLUME FACES

POSITIVE COEFICIENTS aP , aE , aW  0

NEGATIVE SP aP =  aNb − SP  v

FOR SP = 0 , aP =  aNb

INTERFACE CONDUCTIVITY

qe = ke (TP −TE ) xe

ARITHMETIC MEAN
ke = ( kP +kE ) 2

 
−1
ke xe = ( x )e− k P + ( x )e+ k E
HARMONIC MEAN

FOR UNIFORM GRID ke = 2kP kE ( kP + kE )

WHEN kP → 0 , ke → 0

WHEN kP kE , ke → 2kE

OVER-AND-UNDER-RELAXATION

• IF aP TP =  aNb TNb + b

WE ACCEPT TP =  TP + (1−  ) TP*

TP* IS THE LAST ITERATION VALUE

 IS THE RELAXATION FACTOR

•  1 UNDER-RELAXATION
•  1 OVER-RELAXATION
• IN NON-LINEAR PROBLEMS, WE GENERALLY USE UNDER-RELAXATION.
• THE USE OF UNSTEADY EQUATIONS TO OBTAIN SOLUTION FOR STEADY STATE PROBLEMS,
IMPLIES SOURCE FORM OF UNDER-RELAXATION

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UNSTEADY CONDUCTION

ONE-DIMENSIONAL DIFFERENTIAL EQUATION

T   T 
c = k +S
t x  x 
INTEGRATE OVER CONTROL VOLUME

e t +t t +t e
T   T 
 c
t
dt dx =   x  k x  dx dt
w t t w

t +t e
+   ( Sc +SP TP ) dx dt
t w

(TE −TP ) t − k (TP −Tw ) t

(
 p C p Tp1 − Tp0 x = ke ) xe
w
xw

(
+ Sc + S p Tp x t )
TP − TP* PROFILE ASSUMPTION: 1- EXPLICIT SCHEME
 2- CRANK-NICOLSON SCHEME

3- IMPLICIT SCHEME

DISCRETISED EQUATION FOR IMPLICIT SCHEME

aP TP = aE TE + aW TW + aP0 TP0 + b

aE , aW and b as before

aP0 =  P cP x t

aP = aE + aw + aP0 − S P x

AS t →  , THE EQUATION REDUCES TO THE STEADY

STATE DISCRETISED EQUATION.
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CONVECTION AND DIFFUSION

UNSTEADY CONVECTION- DIFFUSION EQUATION

     
t
( ) +
x j
u j  =(x j
)    + S
 x j 
NEW TERM

ASSUME THE FLOW FIELD IS KNOWN, AND WE WANT TO CALCULATE THE DISTRIBUTION OF 
STEADY 1-D CASE

d
( u ) =   
d d
dx dx  dx 

INTEGRATE OVER CONTROL VOLUME

d   d 
( u)e − ( u)w =    −  
 dx e  dx  w
----------------------------------------------------------------------------------------------------------------------------------------

UPWIND SCHEME

THE VALUE OF  AT AN INTERFACE IS TAKEN AS THE VALUE OF 

AT THE GRID POINT ON THE UPWIND SIDE OF THAT FACE

e =  p IF Fe  0 ; e =  E IF Fe  0

aP  P = aE  E + aW W

aE = De + − F , 0

aW = DW + + F , 0

aP = aE + aW

A, B STANDS FOR GREATER OF A, B

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THE EXACT SOLUTION

d
( u ) =   
d d
dx dx  dx 
BC'S x = 0  = P

x = xe  = E

SOLUTION

 − p exp ( Pe x xe ) −1
=
 E − p exp ( Pe ) − 1

Pe = ( u )e xe  e

Peclet number

(X) IS LINEAR FOR SMALL Pe VALUES (CENTRAL DIFFERENCE SCHEME)

(X) IS UPWIND-LIKE FOR LARGE Pe VALUES (UPWIND SCHEME)

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 THE EXPONENTIAL SCHEME

CAN USE THE EXACT SOLUTION TO COMPUTE e AND  w IN THE DIFFERENCE EQUATION

 E − P  −
( u ) e  e − (  u ) w  w = e + w P W
xe xw

− P exp ( Pe x xe ) −1

=
 E − P exp ( Pe ) − 1

aP  P = aE  E + aW W

aE = Fe  exp ( Pe )−1
aW = Fw exp ( Pw ) exp ( Pw )−1

aP = aE + aW

Pe = Fe De

EXPONENTIALS ARE EXPENSIVE TO COMPUTE

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THE POWER-LAW SCHEME

aP  P = aE  E + aW W

aE = De 0, (1− 0.1 Pe )
5
+ 0, − Fe

aw = Dw 0, (1− 0.1 Pw )
5
+ 0, − Fw

aP = aE + aW

A, B STANDS FOR GREATER OF A,B

 FLOW FIELD CALCULATION

MOMENTUM EQUATIONS

  P   ui 
t
( ui ) + (
x j
)
u j ui = +
xi x j
   + Si
 x j 
• LAMINAR
• NEWTONIAN

MOMENTUM EQUATIONS HAVE THE SAME FORM AS THE GENERAL  EQUATION. THUS, WE
CAN USE THE METHODS DESCRIBED EARLIER TO SOLVE THE MOMENTUM EQUATIONS.

NON-LINEARITY IS RESOLVED THROUGH ITERATIONS.

THE PRESSURE GRADIENT TERM IN THE MOMENTUM EQUATION CAUSE DIFFICULTY. THERE
IS NO OBVIOUS EQUATION FOR PRESSURE.

PRESSURE IS INDIRECTLY SPECIFIED BY THE CONDIUITY EQUATION. A CORRECT PRESSURE

FIELD WHEN SUBSTITUTED INTO THE MOMENTUM EQUATION WILL YIELD A VELOCITY FIELD
THAT SATISFIES CONTINUITY.

=========================================================================

SOME DIFFICULTIES

e
dP
aP u P = ae u E + aW uW + b +  − dx
w
dx

( Pw − Pe )

( PW + PP ) − ( PE + PP )
2 2
ASSUMING LINEAR
VARIATION FOR P

aP u P = aE u E + aW uW + b + ( PW − PE )

PRESSURE DIFFERENCE BETWEEN ALTERNATE RATHER THAN ADJACENT GRID POINTS APPEAR
IN THE EQUATION. SO, A CHECKER-BOARD PRESSURE FIELD WILL BE PRECIEVED BY THE
MOMENTUM EUATION AS A UNIFORM PRESSURE
FIELD.
SOME DIFFICULTIES

• A SIMILAR PROBLEM ARISES IN THE CONTINUITY EQUATION

du
=0
dx

Ue − U w = 0

U E + U P UW + U P
• − =0
2 2
U E − UW = 0
• CHECKERBOARD VELOCITY FIELDS ARE ADMISSIBLE

==================================================================================
A REMEDY: THE STAGGERED GRID

• X-COMPONENT VELOCITIES ARE STAGGERED IN THE X-DIRECTION AND THE Y-

COMPONENT VELOCITIES ARE STAGGERED IN THE Y-DIRECTION. PRESSURE IS STORED
AT THE MAIN GRID POINT.

Main
control
volume

E
dp
• ae ue = aee uee + aw uw + b +  − dx
P
dx

pP − pE

PRESSURE DIFFERENCE BETWEEN ADJACENT NOT ALTERNATE POINTS, HENCE NO

CHECKERBOARD PRESSURE FIELDS ARE ADMISSIBLE.

d
CONTINUITY ( u ) = 0
dx
INTEGRATE OVER CONTROL VOLUME FOR POINT P

ue − uw = 0

VELOCITY DIFFERENCE BETWEEN ADJACENT POINTS. HENCE NO CHECKERBOARD FIELDS ARE

ADMISSIBLE.
DISCRETISED CONTINUITY AND MOMENTUM EQUATIONS

• CONTINUITY EQUATION

 
 t + ( u ) + ( v ) = 0
x y

( − ) x y + (u ) − (u )  y +(v )

P
0
P

− ( v )s x = 0
t e w n

• X-MOMENTUM

aeue =  anb unb + b + Ae ( pP − pE )

• Y-MOMENTUM

anun =  anb vnb + b + An ( pP − pN )

==========================================================================
 THE PRESSURE CORRECTION EQUATION

aeue =  anb unb + b + Ae ( pP − pE ) (A)

FOR A GUESSED PRESSURE p*

aeue* =  anbunb
*
(
+ b + Ae p*P − p*E ) (B)

SUBTRACT (B) FROM (A) AND DENOTE p− p* = p → p = p* + p

ae
ae
( ) (
ue − ue* =  anb unb −unb
* A
)
+ e ( pP − pE )
ae

NEGLECT FIRST TERM ON RHS TO GET VELOCITY CORRECTION EQUATION

Ae
→ u e = ue* + de ( pP − pE ) where, de = (C)
ae

SIMILARLY

→ vn = vn* + d n ( pP − pN ) (D)

SUBSTITUTE (C) AND (D) INTO DISCRETISED CONTINUITY

 P −0P
xy + eue y −  wuwy + nvn x −  sus x = 0
t
==============================================================================
 THE p  EQUATION

THE RESULTING EQUATION IS THE PRESSURE CORRECTION EQUATION p 

aP pP = aE pE + aW pW
 + aN pN + aS pS + b

aE =  e de y , aW =  wd wy

aN =  n d n x , aS =  s d s x

aP = aE + aW + aN + aS

  P −*P 
b= x y + eue* y −  wuw* y + nun* x −  s vs* x 
 t 

NOTE b IS THE CONTINUITY EQUATION FOR THE (* VELOCITY) FIELD. IF u* AND v* ARE THE
CORRECT VALUES, b = 0.

NOTE THAT WHEN p  OBTAINED BY SOLVING THE ABOVE EQUATION IS SUBSTITUTED INTO THE
VELOCITY CORRECTION EQUATIONS ue = ue
*
+ de ( pP − pE ) , vn = vn* +

THE RESULTING VELOCITY FIELD EXACTLY SATISFIES CONTINUITY.