hkmoffat / cantera

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rates computed with GRI_30_Kinetics are inconsistent #134

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago
Rates computed using the GRI_30_Kinetics class are not consistent. Specifically:

    getNetProductionRates != getCreationRates - getDestructionRates
    getNetRatesOfProgress != getFwdRatesOfProgress - getRevRatesOfProgress

Class GRI_30_Kinetics only computes the net rates of progress. The separate 
forward and reverse rates are computed by the methods in GasKinetics. However, 
the constants in the rate expressions in GRI_30_Kinetics::update_rates are not 
expressed to the same precision as those in the original mechanism.

There are three possibilities for resolving this issue:

(1) Increase the precision of the constants in GRI_30_Kinetics::update_rates
(2) Modifiy GRI_30_Kinetics so that the hard-coded rate expressions are used 
consistently without falling back to the standard GasKinetics methods
(3) Remove class GRI_30_Kinetics, as GasKinetics provides all of the same 
features.

Given that the apparent speed increase of GRI_30_Kinetics is only 5% (for just 
calling the getNetProductionRates method--any more general usage would see even 
less benefit), I don't think it's worth maintaining this special case, and we 
should simply remove this class.

Original issue reported on code.google.com by yarmond on 13 Dec 2012 at 6:06

GoogleCodeExporter commented 9 years ago

Original comment by yarmond on 9 Dec 2013 at 1:45

GoogleCodeExporter commented 9 years ago
This issue was closed by revision r2606.

Original comment by yarmond on 14 Dec 2013 at 12:18