where do i enters the thermdat file for chemical kinetics reaction

amin_u50 · March 18, 2013, 10:38

hi dears...
i wanna to enters the thermochemistry data of combustion of natural gas for general gas phase reaction & general species transport...i have thermdat file but i don't know how and where inters this file and....help me...

thnx...
amin u3fi

hansai · March 24, 2013, 03:48

copy the therm.dat (and the tran.dat) in your case-folder. don't chance the name of the files!

JoshS. · March 25, 2013, 21:42

just copy and paste the therm.dat file in the case folder and got this error.

%fire-F-cthgck_ck, chemkin database thermdat not found! must be located
% in the directory where the executable is started!

kimmhw · March 26, 2013, 02:26

Try to keep the file name "thermdat" instead of "therm.dat"

JoshS. · March 27, 2013, 20:14

thanks. got it simulation to work.

amin_u50 · April 1, 2013, 12:20

hi johs
when i copy and past thermdat file into case folder i face to this error:
%fire-I-chom_input, finished setup of homogeneous reaction problem
%fire-F-cthgck_ck.f, species H not found in chemkin database thermdat.
please check name!
can you help me...
thnx...

kimmhw · April 4, 2013, 03:19

Hi amin_u50,

According to the message, your thermdat doesn't contain "species H".
Please check.

In that case, you can select the option "Both" instead of "External" in Thermodynamic database flag of Fluid properties.
Then, FIRE will try to find the species information(which cannot be found in thermdat) in internal database .

amin_u50 · April 4, 2013, 07:22

hi kimmhw....
i change "external" to "both" and i face to this error again: just H convert to HO2....i check the thermdat file and HO2 was in the thermdat file...

%fire-I-chom_input, finished setup of homogeneous reaction problem
%fire-F-cthgck_ck.f, species HO2 not found in chemkin database thermdat.
please check name!

thnx..

JoshS. · April 8, 2013, 22:45

Hi, I got the same error before. I think its got something to do with the way all the species is listed in the thermdat file.

amin_u50 · April 15, 2013, 01:54

hi joshS...
You have to deal with this problem, but I am still having trouble with it and it did not solve. I got the following error again.

%fire-I-chom_input, finished setup of homogeneous reaction problem
%fire-F-cthgck_ck.f, species HO2 not found in chemkin database thermdat.
please check name!

please give your mail to send the thermdat file and check it or if it is possible send your thermdat file for me .....my email is: amin_u50@yahoo.com
thnx...

amin_u50 · April 19, 2013, 01:21

hi hansai...
my mail is amin_u50@yahoo.com
can you solve my problem?
please send your mail for me....
regard
amin

March 18, 2013, 10:38	where do i enters the thermdat file for chemical kinetics reaction	#1
amin_u50 Senior Member amin u3fi Join Date: Feb 2013 Posts: 137 Rep Power: 13	hi dears... i wanna to enters the thermochemistry data of combustion of natural gas for general gas phase reaction & general species transport...i have thermdat file but i don't know how and where inters this file and....help me... thnx... amin u3fi

April 4, 2013, 03:19		#7
kimmhw New Member Myunghwan Kim Join Date: Jul 2012 Posts: 29 Rep Power: 13	Hi amin_u50, According to the message, your thermdat doesn't contain "species H". Please check. In that case, you can select the option "Both" instead of "External" in Thermodynamic database flag of Fluid properties. Then, FIRE will try to find the species information(which cannot be found in thermdat) in internal database . Yinjie.Ma likes this.

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March 24, 2013, 03:48		#2
hansai New Member Join Date: Oct 2012 Posts: 11 Rep Power: 13	copy the therm.dat (and the tran.dat) in your case-folder. don't chance the name of the files!

March 25, 2013, 21:42		#3
JoshS. New Member Joshua Join Date: Mar 2013 Posts: 7 Rep Power: 13	just copy and paste the therm.dat file in the case folder and got this error. %fire-F-cthgck_ck, chemkin database thermdat not found! must be located % in the directory where the executable is started!

March 26, 2013, 02:26		#4
kimmhw New Member Myunghwan Kim Join Date: Jul 2012 Posts: 29 Rep Power: 13	Try to keep the file name "thermdat" instead of "therm.dat"

March 27, 2013, 20:14		#5
JoshS. New Member Joshua Join Date: Mar 2013 Posts: 7 Rep Power: 13	thanks. got it simulation to work.

April 1, 2013, 12:20		#6
amin_u50 Senior Member amin u3fi Join Date: Feb 2013 Posts: 137 Rep Power: 13	hi johs when i copy and past thermdat file into case folder i face to this error: %fire-I-chom_input, finished setup of homogeneous reaction problem %fire-F-cthgck_ck.f, species H not found in chemkin database thermdat. please check name! can you help me... thnx...

April 4, 2013, 07:22		#8
amin_u50 Senior Member amin u3fi Join Date: Feb 2013 Posts: 137 Rep Power: 13	hi kimmhw.... i change "external" to "both" and i face to this error again: just H convert to HO2....i check the thermdat file and HO2 was in the thermdat file... %fire-I-chom_input, finished setup of homogeneous reaction problem %fire-F-cthgck_ck.f, species HO2 not found in chemkin database thermdat. please check name! thnx..

April 8, 2013, 22:45		#9
JoshS. New Member Joshua Join Date: Mar 2013 Posts: 7 Rep Power: 13	Hi, I got the same error before. I think its got something to do with the way all the species is listed in the thermdat file.

April 15, 2013, 01:54		#10
amin_u50 Senior Member amin u3fi Join Date: Feb 2013 Posts: 137 Rep Power: 13	hi joshS... You have to deal with this problem, but I am still having trouble with it and it did not solve. I got the following error again. %fire-I-chom_input, finished setup of homogeneous reaction problem %fire-F-cthgck_ck.f, species HO2 not found in chemkin database thermdat. please check name! please give your mail to send the thermdat file and check it or if it is possible send your thermdat file for me .....my email is: amin_u50@yahoo.com thnx...

April 19, 2013, 01:21		#11
amin_u50 Senior Member amin u3fi Join Date: Feb 2013 Posts: 137 Rep Power: 13	hi hansai... my mail is amin_u50@yahoo.com can you solve my problem? please send your mail for me.... regard amin