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-   -   how coupled chemical kinetics and HCCI combustion in AVL FIRE (https://www.cfd-online.com/Forums/avl-fire/118257-how-coupled-chemical-kinetics-hcci-combustion-avl-fire.html)

amin_u50 May 23, 2013 12:48

how coupled chemical kinetics and HCCI combustion in AVL FIRE
 
Hi dears...
i want simulate HCCI combustion with FIRE and link the FIRE with CHEMKINE (chemical kinetics).
so when i enter the transdat & thermdat file of fuel in the case folder and start calculate i face this error:
%fire-I-chom_input, finished setup of homogeneous reaction problem
%fire-F-cthgck_ck.f, species C2H2OH not found in chemkin database thermdat.
please check name

but this species exist in the thermdat file.
please help me.
regards
amin_u50:confused::confused:

kimmhw May 24, 2013 11:34

Hi,

Well.. please check your ssf again.

thermodynamic database flag in Fluid Properties should be set as "external" or "both" in your case because FIRE internal database doesn't support C2H2OH.

I guess.

amin_u50 May 24, 2013 12:56

hi kimmhw...
 
hi kimmhw
thermodynamic database flag in fluid properties is both but this error appear again and does not difference in this error. as the thermdat file isen't read
kimmhw please help me...
thanx

kimmhw May 24, 2013 19:59

Well.. You should paste the correct error message.
But you already posted a similar problem before.
(http://www.cfd-online.com/Forums/avl...-reaction.html)

Careful of filename
file should be ascii format
files should exist in Case folder which you want to calculate.

amin_u50 May 25, 2013 05:25

hi kimmhw...
All the works that i have done as follow:
1-activate both in fluid properties for thermodynamic database
2-put the thermdat & trandat file in case folder
3-start the calculation

but i face to same error again as follow:
%fire-I-chom_input, finished setup of homogeneous reaction problem
%fire-F-cthgck_ck.f, species C2H2OH not found in chemkin database thermdat.
please check name

is this the correct steps?
did you do this steps?

thanx for you.
amin_u50
regard

kimmhw May 26, 2013 21:39

Please try this.
1) Remove the lines starting with "!" in thermdat. (Line # 3,4,5)
2) Additionally, please do not use the space in folder name.
e.g)
d:\Fire example\HCCI engine4\ ==> d:\Fire_example\HCCI_engine4\
3) "Chemistry.inp" shoulde be assigned again because folder structure has been changed.
4) in Fluid Properties, "Activate database for all" can be chosen if you want.
It's up to you.

I hope you could solve the problem.

amin_u50 June 11, 2013 05:19

hi kimmhw...
The problem of recognizing the species is solved but during calculation i face to follow message and finish the calculation in the first iteration...

%fire-I-chom_rate, calling solver for homogeneous reactions
%fire-I-chom_rate, progress of ODE solution = 20%
%fire-I-chom_rate, progress of ODE solution = 40%
%fire-I-chom_rate, progress of ODE solution = 60%
%fire-I-chom_rate, progress of ODE solution = 80%
%fire-I-chom_rate, progress of ODE solution = 100%

* 1. Time Step Time = 0.5555555556E-04 dt = 0.5556E-04 *
* Angle = 540.500 dphi = 0.5000E+00 *

ITER I***************** Relative Residual Source Sums *************I I******** Field Values at Monitoring Location 1 *******I


NO. RESU RESV RESW RESM RESK RESD RESH U V W P TKIN DISP TEMP


thanx for help
best regards
amin_u50


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