I am new in phoenics. Recently I want to use the CHEMKIN INTERFACE to calcultate a reactive flow. But I met some problems in using the CHEMKIN INTERFACE

1) I can run the examples by loading the lib cases. But I found that when I save it as a case, run earth again , error accurs, though I have made no change in any of the files. Or I just run the Earth again , the same problem accurs.I don't know why it happens. Here I copy the message in the result file: ************************************************** **** PHOENICS-CHEMKIN Interface v1.0 DOUBLE PRECISION Version is activated ************************************************** ***** SELREF has been set false in GXCHKI because CHSOA=GRND9 GXCHKI - CHEMKIN LINK FILE: \phoenics\d_earth\d_opt/d_chem/reacckln CKLIB: Chemical Kinetics Library CHEMKIN-II Version 4.2, September 1993 DOUBLE PRECISION GXCHKI - CHEMKIN initialisation done DOUBLE PRECISION Version is activated GXCHKI - too few variables for species

increase the no. of variables What does it mean ? Where should modified to avoid such a problem?

2) I found that If I run the CKINTERP to generate a link file , the result link file is different from the file supplied with the phoenics, even if I do nothing with the mechanism file, e.g. I use the ho11.ckm to generate the ho11ckln. Then compare it with the ho11ckln supplied with the phoenics, I found that these two files is not the same length. I wonder if the new generated ho11ckln file can work when I call a lib case which reads it. So I replace the old one with the new one, then load a case e.g. c204 , run earth from VR_Edit environment, then error accurs : ----------------------------------------- SELREF has been set false in GXCHKI because CHSOA=GRND9

GXCHKI - CHEMKIN LINK FILE: \phoenics\d_earth\d_opt/d_chem/ho11ckln Error reading Chemkin Linking file. -------------------------------------------- (Copied form the result file.)

I meet this problem without modify the mechanism file. So I doubt that will it work if I supply my own mechanism files ?

Anyone can help me? Thank you very much!!

please send me more details

Thanks for your reply.

More details:

I am new in phoenics, so I think I should start with the sample cases. I thought if I can save it as a case ,then I can make change in the Q1 file. e.g. I can change the mechanism file, the geometry conditions etc. graduly. So I can learn to solve my own question with the phoenics chemkin interface. As an example I load the lib case c204 and run "Earth" in the VR-Editor environment. The program runs successfully, the convergence graphy appear, and the result is given. Then I chose the command "save as a case" under the menu "file". Then I open the new case saved ,run earth , the convergence graphy did not appear this time, the program stopped without giving a result. Open the result file , I can only see this: ************************************************** *****------------------------------------------------------

CCCC HHH PHOENICS Version 3.3.0 - EARTH

CCCCCCCC H (C) Copyright 1999

CCCCCCC See H Concentration Heat and Momentum Ltd

CCCCCCC our new H All rights reserved.

CCCCCC Web-site H Address: Bakery House, 40 High St

CCCCCCC www.cham. H Wimbledon, London, SW19 5AU

CCCCCCC co.uk H Tel: 020-8947-7651

CCCCCCCC H Facsimile: 020-8879-3497

CCCC HHH E-mail: phoenics@cham.co.uk ------------------------------------------------------- This program forms part of the PHOENICS installation for: CHAM The code expiry date is the end of : Apr 2010 ------------------------------------------------------- ************************************************** ************************************************** ********** Error message: Mass flow for patch OB3 Please add COVAL and rerun ************************************************** ***** ************************************************** **** PHOENICS-CHEMKIN Interface v1.0 DOUBLE PRECISION Version is activated ************************************************** ***** SELREF has been set false in GXCHKI because CHSOA=GRND9

GXCHKI - CHEMKIN LINK FILE: \phoenics\d_earth\d_opt/d_chem/ho11ckln CKLIB: Chemical Kinetics Library

CHEMKIN-II Version 4.2, September 1993

DOUBLE PRECISION

GXCHKI - CHEMKIN initialisation done

DOUBLE PRECISION Version is activated

GXCHKI - TRANLIB LINK FILE:

\phoenics\d_earth\d_opt/d_chem/ho11mcln

TRANLIB: Multicomponent transport library,

CHEMKIN-II Version 1.7, October 1992

DOUBLE PRECISION

GXCHKI - TRANLIB initialisation done GXCHKI - too few variables for species

increase the no. of variables

I changed nothing , and I dont know why it can't work properly while the original lib case can work. Thanks

Best Regards Rui Yang

Please note that that the VR Front End is not compatible with the CHEMKIN option, i.e. they have not be designed to work in combination. The CHEMKIN feature pre-dates the VR Front End which came much latter, and so the Satellite Menu should be used for CHEMKIN library cases and user-set CHEMKIN problems.

It is possible to force the VR Front End to run consistently with CHEMKIN settings, but this requires expert and careful assistance from CHAM which can only be done if the user is in possession of valid maintenance support contract.

Until VR is extended to handle the CHEMKIN option, the recommendation is to use the Satellite Menu for PHOENICS-CHEMKIN simulations.

Thank you very much!

Best Regards Rui Yang

The 2nd question: I found that If I run the CKINTERP to generate a link file , the link file generated is different from the file supplied with the phoenics case, even if I do nothing with the mechanism file, e.g. I use the ho11.ckm to generate the ho11ckln. Then compare it with the ho11ckln supplied with the phoenics lib case, I found that these two files is not the same length. I wonder if the new generated ho11ckln file can work when running a lib case which reads the link file. So I replace the old one with the new one, then load a case e.g. c204 , run earth from VR_Edit environment, then error accurs : ----------------------------------------- SELREF has been set false in GXCHKI because CHSOA=GRND9

GXCHKI - CHEMKIN LINK FILE: \phoenics\d_earth\d_opt/d_chem/ho11ckln Error reading Chemkin Linking file. -------------------------------------------- (Copied form the result file.)

I meet this problem without modify the mechanism file. So I doubt that will it work if I supply my own mechanism files ?

Anyone can help me? Thank you very much!!

Hi Mike: I assume this means that CHAM *will* be continuing to support the use of CHEMKIN in PHOENICS? And they may even make it easier to use with VR?

Hi Patti: CHAM has plans in hand to permit the set up of CHEMKIN problems through the VR Environment. Probably not in the next release, but in the one after that.