nogenmyr/isat-ck7-cantera

S.B. Pope et al.'s ISAT-CK7 code, but based on Cantera

ISAT-CK7-Cantera

The original library can be found here: https://tcg.mae.cornell.edu/ISATCK7/

That library uses ChemkinII as a backend for thermochemistry. The library provided here uses Cantera 2.1 or 2.2 for thermochemistry. The code in ice-pic/g_jacadf.f was however very dependent on Chemkins internal work arrays. This is yet to port to Cantera. I currently do not see any easy way to do that unfortunately. (one way can be to create those work arrays using Cantera. That is however not straight-forward.) This means that the ice-pic library is not functional. Ths ISAT code does however work without problems.

Before compiling, see README.txt and ChangeLogCantera.txt

See the work by Daniel Moell: http://www.tfd.chalmers.se/~hani/kurser/OS_CFD/

isat-ck7-cantera's Issues

Ask about external CKWYP

I have some questions about external CKWYP.

In your codes, (ISAT-CK7-Cantera / ISAT / cklib_ext_stub /)

cklib_ext_stub.f , temphz_stub.f90 are used to make libck_ext.a, libck_ext.so.

you've added reduced ch4 mechanism 6steps, 9steps, 11steps.

As I know , to use one of these mechanisms, choose 1 mechanism and change the file name to cklib_ext_stub.f and rebuild library.

But reduced mechanism didn't work well. In case of implementing 6 steps, no reaction occured, and 11 steps case working but didn't converge even 1 iteration.

Are These 3 reduced mechanism not completely implemented? In progress?

Last thing is, In these reduced mechanisms, as you know, N2 is not inert species.

Do I have to inactivate inertspecies N2 in OpenFOAM thermalphysicalProperties same as reactingLMFoam?

I hope you see this question and give me feedback. Thank you.

Failed to retrieve nasa polynoms

I followed a tutorial (http://www.tfd.chalmers.se/~hani/kurser/OS_CFD_2015/DanielMoell/Presentation_ISAT-CK7.pdf ) with openfoam 2.3.0, every thing goes well when install. But i can not run the tutorial case , an error occur:
Selecting chemistryReader chemkinReader
chemistryModel: Number of species = 21 and reactions = 84
********** ISAT_ABORT **************
Failed to retrieve nasa polynoms 1 ct_thermo

********** ISAT_ABORT **************

routine = ct_thermo
location = 1
message = Failed to retrieve nasa polynoms

****** END ISAT_ABORT **************

what's wrong?
plz help me ...thank you

Absolute references to files

Heya! First off, thanks a ton for building this!

Building the package gives an error of file not found, because the 'vars.mk' file use references to a user 'kalle'.

Additionally, there's one file that has kalle:kalle permissions:

lrwxrwxrwx 1 kalle kalle 35 jan 16 13:23 libcantera_fortran.a -> /usr/local/lib/libcantera_fortran.a

Problem about isatap_ser

The interface is compiled perfectly fine on my computer (using gnu 4.8). But in the server (gnu 5.1) when I compiled the files, an error occur in ISAT-CK7-Cantera/ISAT/isatab_ser/isatab.f90 line 1946:

r_wrk(jfe+2:jfe+12) = leaf%props(1:10)

It seems the two arrays don't match (11:10), but it did pass in my own pc. What should I change the code to make it pass on the server?