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how coupled chemical kinetics and HCCI combustion in AVL FIRE

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Old   May 23, 2013, 12:48
Default how coupled chemical kinetics and HCCI combustion in AVL FIRE
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amin u3fi
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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
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Old   May 24, 2013, 11:34
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Myunghwan Kim
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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.
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Old   May 24, 2013, 12:56
Default hi kimmhw...
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amin u3fi
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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
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Old   May 24, 2013, 19:59
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Myunghwan Kim
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Well.. You should paste the correct error message.
But you already posted a similar problem before.
(where do i enters the thermdat file for chemical kinetics reaction)

Careful of filename
file should be ascii format
files should exist in Case folder which you want to calculate.
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Old   May 25, 2013, 05:25
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amin u3fi
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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
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Old   May 26, 2013, 21:39
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Myunghwan Kim
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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.
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Old   June 11, 2013, 05:19
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amin u3fi
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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

Last edited by amin_u50; June 11, 2013 at 13:37.
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