A FORTRAN Program for Simulating Laminar

Reacting Flows (lamflam.f)

(Two-dimensional and Axi-symmetric)

-4 -4

-3.5

-3 -3

-2.5

-2 -2
Y(cm)

-1.5
X

-1 -1

-0.5

0 0

0.5

1
-2 -1 0 1 2 -2 -1 0 1 2
Y X (cm)
 The Governing Equations

The non-dimensional governing equations in two-dimensions and axi-symmetric co-

ordinates and the boundary conditions in the gas phase are summarized below.

Continuity equation

∂ (ρθ ) ∂
+ (θρu ) + ∂ (θρv ) + α vθ = 0
∂t ∂z ∂r r

X-Momentum Equation

    

( ) 
(ρθu ) + ∇ ⋅  ρuθU − µθ (∇u ) = − ∂ p + θ  ∂  1 µ ∂ u − 2 µ  ∂ v  + ∂ µ ∂ v   +

∂ 
∂t  Re  ∂ z Re  ∂ z  3 ∂z 3  ∂ r  ∂ r  ∂ z  

 (ρ − ρ ∞ )  1  ∂ u 1  ∂ v  
3
U αθ
+  B  g+  µ − µ   
U R  (ρ f − ρ ∞ ) Re  r  ∂ r 3  ∂ z  

Y-Momentum Equation

    

( ) 
(ρθv ) + ∇ ⋅  ρvθU − µθ ∇v  = − ∂ θp + θ  ∂ µ ∂ u  + ∂  1 µ ∂ v − 2 µ  ∂ u   +
 
∂ 
∂t  Re  ∂ r Re  ∂ z  ∂ r  ∂ r  3 ∂ r 3  ∂ z  

αθ  1  4µ ∂ v 2µ v  
 − 
Re  r  3 ∂ r r  

where R = e µ ∗
R R L U ρ∗
, LR = ,
α∗
T =
(LR ∗ LR ) UR =U∞ +UB
UR R α∗
U B = [g β (T − T )α * ]1 / 3 is the reference buoyancy induced velocity and U ∞ is the
R R ∞ F

imposed forced velocity at the inlet.

Species equation

  
(ρθYi ) +  ∂  ρθYi u − 1 ρDi ∂Yi  + ∂  ρθYi v − 1 ρDi ∂Yi   = α  1 1 ρDi ∂Yi 
∂    
∂t ∂ z  Lei ∂ z  ∂ r  Lei ∂ r    Lei r ∂ r 
where i = F , O2 , C 2 , OH 2O, N 2
diffusion time
Lei =
convection or conduction time
,
L2 D∗ L2 D∗ α ∗
= R i = R2 i∗ = ∗
LR U R LR α Di

Lewis number for species i

= =
LeFi 1.0 =
LeO 2 1.11 =
LeCO 2 1.39 LeH 2O 0.83
LeN 2 = 1.0
 − Eg
) where Da = B g ρ α
* *
ω i′′′= f i ω F′′′ = f i Da ρ 2YF YO 2 exp(
T 2
UR
For example if fuel is Methane, the stoichiometric combustion of fuel in air can thus
be written as:

CH4 + 2 (O2 + 3.76 N2) → CO2 + 2 H2O + 7.52 N2

For the above one-step methane and Air stoichiometric reaction, the stoichiometric
ratios are, fF = −1, fO2 = −4.0, fCO2 = 2.75, fH2O = 2.25, fN2 = 13.16

Energy Equation
.
∂
(ρθC pT ) +  ∂θ  ρC p uT − 1 k∂T  + ∂θ 
 ρC vT −
1 k∂T   αθ  1 k∂T 
 =  
∂t ∂ z  Pr Re ∂ z  ∂ r Pr Re ∂ r   Pr Re  r ∂ r 
p

N  1  N  
∑1  Le ρθDi C pi (∇Yi ∇T ) − ∑ (θω i′′′hi ) + θ∇C p .∇T  k 
 C 
  1  p 
T
N (hi 0 + ∫ c p ,i dT )
where c p = ∑ c p ,i Yi , hi =
T0 = 2 9K 8
i =1 (c ∗p T∞ )

In the above governing equations:

For axisymmetric case α=1, θ =1
For two-dimensional case α=0, r=1, dr=dy, dz=dx, θ =1

Case Study of Burke Schumann flame:

Computational domain:

wall
outlet
Air inlet

Fuel inlet
axis

Both the fuel inlet and air inlet velocity are equal and the wall is assumed to be cold.
The boundary conditions are:
A X =t x m (ua x p os it r nr)
u = (U ∞ ) / U R , v = 0
T =1
YO 2 = 0.23 , Yi = 0 (i = F , C 2 ,O
H 2 O ) (at air inlet)

YF = 1 , Yi = 0 (i = O2 , CO2 , H 2 O) (at fuel inlet)

A X =t x m (d i n o w o e nr ) x
ux = 0 , vx = 0 ,
Tx = 0 , (Yi )x = 0
where i = O2 , CO2 , H 2 O, F

At Y = y min (axis)
ux = 0 , v = 0 ,
Tx = 0 , (Yi )x = 0
where i = O2 , CO2 , H 2 O, F

At Y = y max ( wall )
u = 0 ,v = 0,
T = 1, (Yi )x = 0
where i = O2 , CO2 , H 2 O, F
 Execution of the Code (lamflam.f)
Input

READ INPUT : Control parameters and data (input)

GRID : Setup new grid structure (grid_input)
READ_INITIAL_PROFILE : Read initial profiles and old grid (fort.1l)

Main Iteration

OLDS :Store the old values for later comparison

SIMPLER/PISO

UHATS : Compute pseudovelocity u

VHATS : Compute pseudovelocity v
PRESSURE : Compute pressure field P
GLOBAL : Check global mass balance
USTARS : Compute intermediate velocity u*
VSTARS : Compute intermediate velocity v*
PPRIME : Compute pressure correction P'
CORVEL : Correct velocity field in response to P'
PPRIME1 : pressure correction P’’ (PISO)
CORVEL1 : Correct velocity field in response to P'’ (PISO)
DISSIPATION : Calculate epsilon for k-epsilon model
KINETIC : Calculate k for the k-epsilon model
OXYGEN : Compute oxygen mass fraction Y02
FUEL : Compute fuel mass fraction y F
CARBON : Compute carbon dioxide mass fraction y CO2
WATER : Compute water vapor mass fraction YH2O
PPRFIND : Find locations of maxi-min pressure correction (P’)
TEMP : Compute temperature field
DENS : Compute gas mixture density
WRITE : Writes data every 500 iterations to a file (fort.13)

End of SIMPLER/PISO

End of Main Iteration

REACT : Calculate reaction rate (reac)
PLOTDATA : Writes data files for plots (TECPLOT)
vec.dat (velocity field), scalar.dat (scalar field),
massflx.dat (o2/Fuel mass flux field)

6
GRIDS AND GRID_INPUT FILE

The domain is sub-divided into blocks and mesh generated for each of these blocks. Note there are 6
segments (including one single cell segment at X=0) along X and 2 segments along Y

X-S E G # 0

XLP Y: P yrolys is length

Y -S E G # 2
XLP HYE NT: E ntranc e length

Y U + Vf


Y -S E G # 1
X-S E G # -2 X-S E G # -1 X-S E G # 1 V X-S E G # 2
X-S E G # -3 f

O X F res h fuel
Line of s ym m etry XLP Y XLE NTP HY

Figure 1: Grid blocks. There are 6 segments (including one single cell segment at X=0) along X
and 2 segments along Y

GRID PARAMETERS (file: grid_input)

2 1 2 1
0.5 1.5
2 2
1.1 1.2
0.005 0.04
0.04 0.1
0.25 0.25
2 2
1.1 1.1
0.005 0.005
0.02 0.02

!----READ GRID PARAMETERS FROM THE INPUT FILE (grid_input)

READ(42,*) n_tblk_x,nfstbx,n_tblk_y,nfstby
READ(42,*) (sx_blk(i),i=nfstbx,n_tblk_x+nfstbx)
READ(42,*) (nconst_x(i),i=nfstbx,n_tblk_x+nfstbx)
READ(42,*) (r_x(i),i=nfstbx,n_tblk_x+nfstbx)
READ(42,*) (dmin_x(i),i=nfstbx,n_tblk_x+nfstbx)
READ(42,*) (dmax_x(i),i=nfstbx,n_tblk_x+nfstbx)
READ(42,*) (sy_blk(i),i=nfstby,n_tblk_y+nfstby-1)

8
 READ(42,*) (nconst_y(i),i=nfstby,n_tblk_y+nfstby-1)
READ(42,*) (r_y(i),i=nfstby,n_tblk_y+nfstby-1)
READ(42,*) (dmin_y(i),i=nfstby,n_tblk_y+nfstby-1)
READ(42,*) (dmax_y(i),i=nfstby,n_tblk_y+nfstby-1)

Variable Definition:

! nfstbx/nfstby : left most segment number in X/Y direction

! n_tblk_x/n_tblk_y : total number of segments along X/Y
! sx_blk/sy_blk : segment length non-dimensional X/Y direction
! r_x/r_y : grid expansion ratio for a segment in X/Y direction
! dmax_x,dmax_y : maximum size of sub-division in a segment (non-dim)
! dmin_x,dmin_y : minimum size of sub-division in a segment (non-dim)
! nx_blk,ny_blk : number of sub-divisions in a segment
! nconst_x,nconst_y : number of uniforms subdivisions in a segment

GRID INFORMATION (from file: gridinfo)

Number of grid points in segment 1 = 21

Number of grid points in segment 2 = 21
Total number of grid points along Y = 42

SEGMENT DETAILS
seg # seg length dy(max) dy(min) exp-ratio nconst
------------------------------------------------------------------------
-
1 0.2500 0.0200 0.0050 1.1000 2
2 0.2500 0.0200 0.0050 1.1000 2
0.5000

SEGMENTS ALONG X
--------------------------------------------------------------
Number of grid points in segment 1 = 27
Number of grid points in segment 2 = 20
Total number of grid points along X = 47

SEGMENT DETAILS
seg # seg length dx(max) dx(min) exp-ratio nconst
------------------------------------------------------------------------
-
1 0.5000 0.0400 0.0050 1.1000 2
2 1.5000 0.1000 0.0390 1.2000 2
2.0000

9
 INPUT FILE (input)

FLOW PARAMETERS
----------------
2.0 1.0000E-03 0.0
ve0 deltat GLEVEL
ITERATION CONTROLS
-------------------
500000 0 0
nall ntstart ntimstp
4 4 4 4
nswpu nswpv nswpw nswpp
4 4 4
nswpppr nswpt NSWPTFO
OPTION FLAGS
-------------
0 1 1 1 0
iunsteady iaxisym ireac ipiso iturb
0 1 1 1 1
istart isimplr iplot iskpp ivarpro
CONVERGENCE CONTROLS
---------------------
1.000000E-01 1.000000E-01 9.000000E-01 1.000000E-01
udamp vdamp pdamp tdamp
1.000000E-02 1.000000E-01 1.000000E-01
pprdamp YODAMP YFDAMP
ERROR CHECKS
---------------------
-1.0e-8 -1.0e-8 -1.0e-8 -1.0e-8 -1.0e-8 -1.0e-8
erp eru erv erppr erff ertemp
FLAME STABILIZATION AND VARIABLE GRID INFORMATION
--------------------
0 1
ncell ivarcell
GAS PHASE DATA & PROPERTIES
----------------------------
2.09E+04 1.49E+11 4.0E+03 300.0 1.00000E+00
eg(cal/gmol) bg(cm3/g/s) qg(cal/g) tref xoamb
4.166670E+00 2.750000E-04 2.130000E+00 4.10000E-04 3.300000E-01
tstar rstar(g/cm3) astar(cm2/s) visstar(g/cm/s) cp(cal/g/K)
STOICHIOMERTIC RATIOS
------------------------------
4.0 2.75 2.25 13.16
fo fco2 fh2o fn2
FUEL INFORMATION
-----------------------------------
0.717 16.00 0.136 1.200E-03
rf wmf coef1 coef2

14
OPEN(UNIT=9,FILE='input')

READ(9,*)
READ(9,*)
READ(9,*)ve0,deltat,GLEVEL
READ(9,*)
READ(9,*)
READ(9,*)
READ(9,*)nall,ntstart,ntimstp
READ(9,*)
READ(9,*)nswpu,nswpv,nswpw,nswpp
READ(9,*)
READ(9,*)nswpppr,nswpt,NSWPTFO
READ(9,*)
READ(9,*)
READ(9,*)
READ(9,*)iunsteady,iaxisym,ireac,ipiso,iturb
READ(9,*)
READ(9,*)istart,isimplr,iplot,iskpp,ivarpro
READ(9,*)
READ(9,*)
READ(9,*)
READ(9,*)udamp,vdamp,pdamp,tdamp
READ(9,*)
READ(9,*)pprdamp,YODAMP,YFDAMP
READ(9,*)
READ(9,*)
READ(9,*)
READ(9,*)erp,eru,erv,erppr,erff,ertemp
READ(9,*)
READ(9,*)
READ(9,*)
READ(9,*)ncell,ivarcell
READ(9,*)
READ(9,*)
READ(9,*)
READ(9,*)eg,bg,qg,tref,xoamb
READ(9,*)
READ(9,*)tstar,rstar,astar,visstar,cp
READ(9,*)
READ(9,*)
READ(9,*)
READ(9,*)fo,fco2,fh2o,fn2
READ(9,*)
READ(9,*)
READ(9,*)
READ(9,*)rf,wmf,coef1,coef2

CLOSE(9)

15
COMPILING AND RUNNING CODE (lamflam.f) ON LINUX/UNIX PLATFORM

Compiling
ifort lamflam.f –o flame

Data/Parameter Input files

input,grid_input

Old grid / Initial profile

fort.11

Running the compiled code

flame (OR ./flame)

To restart once a run is complete ( grids must not be changed at restart)

1. Use new profiles computed fort the new run: cp fort.13 fort.11
2. Set the flag ‘istart’ in the input file, ‘input’ to ‘1’

16