Closed GoogleCodeExporter closed 9 years ago
(1) The Matlab script you gave doesn't use the mechanism you specified.
After fixing that problem...
(3) Cantera is clearly calculating rates for the reactions you added. For
example:
set(gas, 'T',600, 'P', oneatm, 'X', ones(1, nSpecies(gas)));
C = creationRates(gas);
C(54:end)
ans =
1.0e+08 *
0.0062
0.0011
0.0002
0.0020
0.0020
0.0036
0.0000
0.0028
0.3767
0.0004
0.0000
0.0000
2.0557
(4) In the Matlab script, the absolute tolerance is set at 1e-20. This means
that you should consider any quantity whose absolute value is less than this to
be numerically equivalent to zero. This includes negative mass fractions.
(5) You can use the solution obtained from the Matlab script to compute the
creation / destruction rates for the species. You will see that all of the
rates associated with the added species are about 6 orders of magnitude lower
than those for the species that are part of the original mechanism. To me, this
suggests that you have a problem with the units of your rate constants.
None of this indicates any problems with Cantera. If you need help using
Cantera, please seek it from the Cantera User's group
(https://groups.google.com/forum/?fromgroups#!forum/cantera-users) and only
report issues here when you have some evidence that you have found a bug in
Cantera.
Original comment by yarmond
on 14 Sep 2012 at 3:34
1) I actually did specify the right input (mechanism) file while I was actually
running it, here by mistake I have the wrong file. Thanks for pointing that out.
2) I actually did post the problem on the Cantera Groups but none of them
responded.
Thank you very much! You're the best!
Original comment by shah13pa...@gmail.com
on 14 Sep 2012 at 6:24
Original issue reported on code.google.com by
shah13pa...@gmail.com
on 13 Sep 2012 at 9:18Attachments: