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Old   July 29, 2019, 13:43
Default OpenFOAM simulation using DME
  #1
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Yujuan Luo
Join Date: Jul 2019
Posts: 5
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Hello FOAMers,


I'm doing combustion simulation using OpenFOAM. The fuel is DME, and the mechanism is Zhao's mechanism(Zhao Z, Chaos M, Kazakov A, Dryer FL. Thermal decomposition reaction and a comprehensive kinetic model of dimethyl ether. Int J Chem Kinet 2008;40:118. doi:10.1002/kin.20285.).


The problem is that when I use the original mechanism and thermo file downloading from the website, there are always errors related to chemistryReader. Then I deleted some redundant numerical flags in last column of the thermo file, as well as some blanks in mechanism file. Then the errors disappear. However, the new problem is that the program always crashes at the first step(errors are attached below), specifically, combustion->correct(). I also tested the mechanism with the reactingFoam, there are still errors. When I substitute the mechanism file with others (like gri30), there is no problem. So I am just wondering whether the mechanism and thermo files are not read correctly. Can anyone who have succeeded in DME simulation using OpenFOAM share these two files with me? Thanks a lot.


error information:
Create time

Create mesh for time = 0


Reading g
Creating combustion model

Selecting combustion model laminar<psiChemistryCombustion>
Selecting chemistry type
{
chemistrySolver EulerImplicit;
chemistryThermo psi;
}

Selecting thermodynamics package
{
type hePsiThermo;
mixture reactingMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
equationOfState perfectGas;
specie specie;
}

Selecting chemistryReader chemkinReader
chemistryModel: Number of species = 55 and reactions = 290
using integrated reaction rate
H
H2
CH2
CH2(S)
CH3
O
CH4
OH
H2O
C2H
C2H2
C2H3
CO
N2
C2H4
HCO
C2H5
CH2O
C2H6
CH2OH
CH3O
O2
CH3OH
HO2
H2O2
HCCO
CH2CO
HCCOH
CH2HCO
CH3CO
CO2
CH3HCO
OCHO
CH3CHOH
C2H4OH
CH3CH2O
CH3OCH2
HCOOH
CH3OCH3
C2H5OH
HOCH2O
CH3OCO
CH3OCHO
CH3OCH2O
CH3OCH2OH
OCH2OCHO
HOCH2OCO
HOC2H4O2
CH3OCH2O2
CH2OCH2O2H
CH3OCH2O2H
HO2CH2OCHO
O2CH2OCH2O2H
AR
HE

Reading field rho


Reading field U

Reading/calculating face flux field phi

Creating turbulence model

Selecting turbulence model type laminar
Creating field dpdt

Creating field kinetic energy K

Creating finite volume options from "system/fvOptions"

Selecting finite volume options model type fixedTemperatureConstraint
Source: source1
- applying source at time 0.1 for duration 0.4
- selecting cells using cellSet ignitionCells
- selected 0 cell(s) with volume 0

Selecting radiationModel fvDOM
Selecting absorptionEmissionModel greyMeanAbsorptionEmission
Selecting scatterModel none
Selecting sootModel none
fvDOM : Allocated 8 rays with average orientation:
Caching div fvMatrix...
I0 : omega : 1.570796327
I1 : omega : 1.570796327
I2 : omega : 1.570796327
I3 : omega : 1.570796327
I4 : omega : 1.570796327
I5 : omega : 1.570796327
I6 : omega : 1.570796327
I7 : omega : 1.570796327

Courant Number mean: 0.0137639165 max: 8.769733406

PIMPLE: Operating solver in PISO mode


Starting time loop

Courant Number mean: 0.0009414443574 max: 0.5998449662
deltaT = 6.83994528e-06
Time = 6.83995e-06

*************************************************
diagonal: Solving for rho, Initial residual = 0, Final residual = 0, No Iterations 0
smoothSolver: Solving for Ux, Initial residual = 1, Final residual = 5.021638158e-06, No Iterations 9
smoothSolver: Solving for Uy, Initial residual = 1, Final residual = 6.148268069e-06, No Iterations 9
[3] #0 Foam::errorrintStack(Foam::Ostream&)at ??:?
[1] #1 Foam::sigFpe::sigHandler(int) at ??:?
[2] #1 Foam::sigFpe::sigHandler(int) at ??:?
[3] #1 Foam::sigFpe::sigHandler(int) at ??:?
[0] #1 Foam::sigFpe::sigHandler(int) at ??:?
[1] #2 at ??:?
[2] #2 at ??:?
[3] #2 at ??:?
[0] #2 in "/lib/x86_64-li in "/lib/x86_64-linux-gnunux-gnu/libc.so.6"
[2] #3 /libc.so.6"
[3] #3 in "/lib/x86_64-linux-gnu/libc.so.6"
[1] #3 in "/lib/x86_64-linux-gnu/libc.so.6"
[0] #3 at makeReactions.C:?
[1] #4 at makeReactions.C:?
[2] #4 Foam::chemistryModel<FoamsiChemistryModel, Foam::chemistryModel<FoamsiChemistryModel, Foam::sutherlandTransport<Foam::species::thermo<Fo am::janafThermo<FoamerfectGas<Foam::specie> >, Foam::sensibleEnthalpy> > >mega(Foam::Reaction<Foam::sutherlandTransport<F oam::species::thermo<Foam::janafThermo<Foamerfec tGas<Foam::specie> >, Foam::sensibleEnthalpy> > > const&, Foam::Field<double> const&, double, double, double&, double&, int&, double&, double&, int&) const at makeReactions.C:?
[0] #7 Foam::chemistryModel<FoamsiChemistryModel, Foam::sutherlandTransport<Foam::species::thermo<Fo am::janafThermo<FoamerfectGas<Foam::specie> >, Foam::sensibleEnthalpy> > >::solve(double) at ??:?
[1] #8 Foam::combustionModels::laminar<Foam::combustionMo delssiChemistryCombustion>::correct() at ??:?
[1] #9 at ??:?
[2] #9 at ??:?
[3] #9
at ??:?
[0] #9


[1] at ~/OpenFOAM/yujuan-2.3.1/applications/solver/DCFoam/YEqn.H:15
[1] #10 [2] at ~/OpenFOAM/yujuan-2.3.1/applications/solver/DCFoam/YEqn.H:15
[2] #10 __libc_start_main__libc_start_main in "/lib/x86_64-linux-gnu in "/lib/x86_64-linux-gnu/libc./libc.so.6"
so.6"
[1] #11 [2] #11

[3] at ~/OpenFOAM/yujuan-2.3.1/applications/solver/DCFoam/YEqn.H:15
[3] #10 __libc_start_main[0] at ~/OpenFOAM/yujuan-2.3.1/applications/solver/DCFoam/YEqn.H:15
[0] #10 __libc_start_main[1] at ??:?
[yujuan:19833] *** Process received signal ***
[yujuan:19833] Signal: Floating point exception (8)
[yujuan:19833] Signal code: (-6)
[yujuan:19833] Failing at address: 0x3e800004d79
[2] at ??:?
[yujuan:19834] *** Process received signal ***
[yujuan:19833] [ 0] [yujuan:19834] Signal: Floating point exception (8)
[yujuan:19834] Signal code: (-6)
[yujuan:19834] Failing at address: 0x3e800004d7a
/lib/x86_64-linux-gnu/libc.so.6(+0x354b0)[0x7fda79c0c4b0]
[yujuan:19833] [ 1] /lib/x86_64-linux-gnu/libc.so.6(gsignal+0x38)[0x7fda79c0c428]
[yujuan:19833] [ 2] [yujuan:19834] [ 0] /lib/x86_64-linux-gnu/libc.so.6(+0x354b0)[0x7f1e41be64b0]
[yujuan:19834] [ 1] /lib/x86_64-linux-gnu/libc.so.6(+0x354b0)[0x7fda79c0c4b0]
[yujuan:19833] [ 3] /lib/x86_64-linux-gnu/libc.so.6(gsignal+0x38)[0x7f1e41be6428]
[yujuan:19834] [ 2] /lib/x86_64-linux-gnu/libc.so.6(+0x354b0)[0x7f1e41be64b0]
[yujuan:19834] [ 3] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDcspecie.so(+0x227cbe)[0x7fda7e081cbe]
[yujuan:19833] [ 4] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDcspecie.so(+0x227cbe)[0x7f1e4605bcbe]
[yujuan:19834] [ 4] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDcchemistryModel.so(_ZNK4Foam14chemistryMode lINS_17psiChemistryModelENS_19sutherlandTransportI NS_7species6thermoINS_11janafThermoINS_10perfectGa sINS_6specieEEEEENS_16sensibleEnthalpyEEEEEE5omega ERKNS_8ReactionISC_EERKNS_5FieldIdEEddRdSM_RiSM_SM _SN_+0x17e)[0x7fda7c81e81e]
[yujuan:19833] [ 5] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDcchemistryModel.so(_ZNK4Foam14chemistryMode lINS_17psiChemistryModelENS_19sutherlandTransportI NS_7species6thermoINS_11janafThermoINS_10perfectGa sINS_6specieEEEEENS_16sensibleEnthalpyEEEEEE5omega ERKNS_8ReactionISC_EERKNS_5FieldIdEEddRdSM_RiSM_SM _SN_+0x17e)[0x7f1e447f881e]
[yujuan:19834] [ 5] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDcchemistryModel.so(_ZNK4Foam13EulerImplicit INS_14chemistryModelINS_17psiChemistryModelENS_19s utherlandTransportINS_7species6thermoINS_11janafTh ermoINS_10perfectGasINS_6specieEEEEENS_16sensibleE nthalpyEEEEEEEE5solveERNS_5FieldIdEERdSJ_SJ_SJ_+0x 3a4)[0x7f1e4482d314]
[yujuan:19834] [ 6] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDcchemistryModel.so(_ZNK4Foam13EulerImplicit INS_14chemistryModelINS_17psiChemistryModelENS_19s utherlandTransportINS_7species6thermoINS_11janafTh ermoINS_10perfectGasINS_6specieEEEEENS_16sensibleE nthalpyEEEEEEEE5solveERNS_5FieldIdEERdSJ_SJ_SJ_+0x 3a4)[0x7fda7c853314]
[yujuan:19833] [ 6] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDcchemistryModel.so(_ZN4Foam14chemistryModel INS_17psiChemistryModelENS_19sutherlandTransportIN S_7species6thermoINS_11janafThermoINS_10perfectGas INS_6specieEEEEENS_16sensibleEnthalpyEEEEEE5solveI NS_12UniformFieldIdEEEEdRKT_+0x5c2)[0x7f1e4484bf92]
[yujuan:19834] [ 7] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDcchemistryModel.so(_ZN4Foam14chemistryModel INS_17psiChemistryModelENS_19sutherlandTransportIN S_7species6thermoINS_11janafThermoINS_10perfectGas INS_6specieEEEEENS_16sensibleEnthalpyEEEEEE5solveI NS_12UniformFieldIdEEEEdRKT_+0x5c2)[0x7fda7c871f92]
[yujuan:19833] [ 7] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDcchemistryModel.so(_ZN4Foam14chemistryModel INS_17psiChemistryModelENS_19sutherlandTransportIN S_7species6thermoINS_11janafThermoINS_10perfectGas INS_6specieEEEEENS_16sensibleEnthalpyEEEEEE5solveE d+0x32)[0x7f1e4484c3a2]
[yujuan:19834] [ 8] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDcchemistryModel.so(_ZN4Foam14chemistryModel INS_17psiChemistryModelENS_19sutherlandTransportIN S_7species6thermoINS_11janafThermoINS_10perfectGas INS_6specieEEEEENS_16sensibleEnthalpyEEEEEE5solveE d+0x32)[0x7fda7c8723a2]
[yujuan:19833] [ 8] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDccombustionModels.so(_ZN4Foam16combustionMo dels7laminarINS0_22psiChemistryCombustionEE7correc tEv+0x243)[0x7f1e43f41173]
[yujuan:19834] [ 9] in "/lib/x86_64-linux-gnu/libc.so.6"
DCFoam[0x4233ad]
[yujuan:19834] [10] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf0)[0x7f1e41bd1830]
[yujuan:19834] [11] DCFoam[0x421199]
/home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDccombustionModels.so(_ZN4Foam16combustionMo dels7laminarINS0_22psiChemistryCombustionEE7correc tEv+0x243)[0x7fda7bf67173]
[yujuan:19833] [ 9] DCFoam[0x4233ad]
[yujuan:19833] [10] [3] #[yujuan:19834] *** End of error message ***
11 /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf0)[0x7fda79bf7830]
[yujuan:19833] [11] DCFoam[0x421199]
[yujuan:19833] *** End of error message ***
in "/lib/x86_64-linux-gnu/libc.so.6"
[0] #11

[3] at ??:?
[yujuan:19835] *** Process received signal ***
[yujuan:19835] Signal: Floating point exception (8)
[yujuan:19835] Signal code: (-6)
[yujuan:19835] Failing at address: 0x3e800004d7b
[yujuan:19835] [ 0] /lib/x86_64-linux-gnu/libc.so.6(+0x354b0)[0x7f043eb5e4b0]
[yujuan:19835] [ 1] /lib/x86_64-linux-gnu/libc.so.6(gsignal+0x38)[0x7f043eb5e428]
[yujuan:19835] [ 2] /lib/x86_64-linux-gnu/libc.so.6(+0x354b0)[0x7f043eb5e4b0]
[yujuan:19835] [ 3] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDcspecie.so(+0x227cbe)[0x7f0442fd3cbe]
[yujuan:19835] [ 4] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDcchemistryModel.so(_ZNK4Foam14chemistryMode lINS_17psiChemistryModelENS_19sutherlandTransportI NS_7species6thermoINS_11janafThermoINS_10perfectGa sINS_6specieEEEEENS_16sensibleEnthalpyEEEEEE5omega ERKNS_8ReactionISC_EERKNS_5FieldIdEEddRdSM_RiSM_SM _SN_+0x17e)[0x7f044177081e]
[yujuan:19835] [ 5] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDcchemistryModel.so(_ZNK4Foam13EulerImplicit INS_14chemistryModelINS_17psiChemistryModelENS_19s utherlandTransportINS_7species6thermoINS_11janafTh ermoINS_10perfectGasINS_6specieEEEEENS_16sensibleE nthalpyEEEEEEEE5solveERNS_5FieldIdEERdSJ_SJ_SJ_+0x 3a4)[0x7f04417a5314]
[yujuan:19835] [ 6] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDcchemistryModel.so(_ZN4Foam14chemistryModel INS_17psiChemistryModelENS_19sutherlandTransportIN S_7species6thermoINS_11janafThermoINS_10perfectGas INS_6specieEEEEENS_16sensibleEnthalpyEEEEEE5solveI NS_12UniformFieldIdEEEEdRKT_+0x5c2)[0x7f04417c3f92]
[yujuan:19835] [ 7] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDcchemistryModel.so(_ZN4Foam14chemistryModel INS_17psiChemistryModelENS_19sutherlandTransportIN S_7species6thermoINS_11janafThermoINS_10perfectGas INS_6specieEEEEENS_16sensibleEnthalpyEEEEEE5solveE d+0x32)[0x7f04417c43a2]
[yujuan:19835] [ 8] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDccombustionModels.so(_ZN4Foam16combustionMo dels7laminarINS0_22psiChemistryCombustionEE7correc tEv+0x243)[0x7f0440eb9173]
[yujuan:19835] [ 9] DCFoam[0x4233ad]
[yujuan:19835] [10] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf0)[0x7f043eb49830]
[yujuan:19835] [11] DCFoam[0x421199]
[yujuan:19835] *** End of error message ***
[0] at ??:?
[yujuan:19832] *** Process received signal ***
[yujuan:19832] Signal: Floating point exception (8)
[yujuan:19832] Signal code: (-6)
[yujuan:19832] Failing at address: 0x3e800004d78
[yujuan:19832] [ 0] /lib/x86_64-linux-gnu/libc.so.6(+0x354b0)[0x7fcc9a9184b0]
[yujuan:19832] [ 1] /lib/x86_64-linux-gnu/libc.so.6(gsignal+0x38)[0x7fcc9a918428]
[yujuan:19832] [ 2] /lib/x86_64-linux-gnu/libc.so.6(+0x354b0)[0x7fcc9a9184b0]
[yujuan:19832] [ 3] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDcspecie.so(+0x227cbe)[0x7fcc9ed8dcbe]
[yujuan:19832] [ 4] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDcchemistryModel.so(_ZNK4Foam14chemistryMode lINS_17psiChemistryModelENS_19sutherlandTransportI NS_7species6thermoINS_11janafThermoINS_10perfectGa sINS_6specieEEEEENS_16sensibleEnthalpyEEEEEE5omega ERKNS_8ReactionISC_EERKNS_5FieldIdEEddRdSM_RiSM_SM _SN_+0x17e)[0x7fcc9d52a81e]
[yujuan:19832] [ 5] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDcchemistryModel.so(_ZNK4Foam13EulerImplicit INS_14chemistryModelINS_17psiChemistryModelENS_19s utherlandTransportINS_7species6thermoINS_11janafTh ermoINS_10perfectGasINS_6specieEEEEENS_16sensibleE nthalpyEEEEEEEE5solveERNS_5FieldIdEERdSJ_SJ_SJ_+0x 3a4)[0x7fcc9d55f314]
[yujuan:19832] [ 6] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDcchemistryModel.so(_ZN4Foam14chemistryModel INS_17psiChemistryModelENS_19sutherlandTransportIN S_7species6thermoINS_11janafThermoINS_10perfectGas INS_6specieEEEEENS_16sensibleEnthalpyEEEEEE5solveI NS_12UniformFieldIdEEEEdRKT_+0x5c2)[0x7fcc9d57df92]
[yujuan:19832] [ 7] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDcchemistryModel.so(_ZN4Foam14chemistryModel INS_17psiChemistryModelENS_19sutherlandTransportIN S_7species6thermoINS_11janafThermoINS_10perfectGas INS_6specieEEEEENS_16sensibleEnthalpyEEEEEE5solveE d+0x32)[0x7fcc9d57e3a2]
[yujuan:19832] [ 8] /home/yujuan/OpenFOAM/yujuan-2.3.1/platforms/linux64GccDPOpt/lib/libSWQDccombustionModels.so(_ZN4Foam16combustionMo dels7laminarINS0_22psiChemistryCombustionEE7correc tEv+0x243)[0x7fcc9cc73173]
[yujuan:19832] [ 9] DCFoam[0x4233ad]
[yujuan:19832] [10] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf0)[0x7fcc9a903830]
[yujuan:19832] [11] DCFoam[0x421199]
[yujuan:19832] *** End of error message ***
--------------------------------------------------------------------------
mpirun noticed that process rank 1 with PID 19833 on node yujuan exited on signal 8 (Floating point exception).
--------------------------------------------------------------------------
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Old   July 30, 2019, 11:12
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Adhiraj
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Does the mechanism contain any fall-off type reaction in TROE form with some coefficients (Ts, Tsss) as zero?

Have you tried running tests in chemFoam with this mechanism?
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Old   July 30, 2019, 11:54
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Yujuan Luo
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Quote:
Originally Posted by adhiraj View Post
Does the mechanism contain any fall-off type reaction in TROE form with some coefficients (Ts, Tsss) as zero?

Have you tried running tests in chemFoam with this mechanism?
Thanks a lot for your reply. Yes, I found that the problem is due to the following reaction:
! Wang et al., JPC A 107:11414 (2003)
CH3+CH3(+M) = C2H6(+M) 2.277E+15 -0.69 1.7486E+02
LOW/8.054E+31 -3.75 9.816E+02/
TROE/0.0 570.0 0.0 1.E+30/
H2O/5/ CO/2/ CO2/3/
Since Ts is set to be zero, the program just gets an error of floating pointing exception.
I wonder if I should change the value of Ts to a very small value, like 1E-31? Or I should use substitutes for this reaction?
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Old   July 30, 2019, 13:33
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Adhiraj
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Quote:
Originally Posted by Yujuan View Post
I wonder if I should change the value of Ts to a very small value, like 1E-31?
Sounds reasonable to me.
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