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…henius objects Let MultiArrhenius objects replace Arrhenius ones in the list stored in PdepArrhenius.arrhenius. This allows the correct PLOG behavior for duplicate kinetics at a single pressure. This will then evaluate the duplicate kinetics defined by MultiArrhenius at that pressure and use that rate for klow or khigh. All that is required is to change the class setting for Arrhenius to a more relaxed parent definition: KineticsModel. Nothing else needs to be changed.
…essure correctly. Check for duplicate pressures and combine the kinetics if needed into MultiArrhenius objects in place of Arrhenius ones stored as part of the PDepArrhenius.arrhenius list of kinetics. When writing the kinetics to a chemkin file, reseparate the MultiKinetics into individual PLOG lines for the same pressure.
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Feb 13, 2015
Allow a single PLOG to have duplicate kinetics at a single pressure.
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These commits hope to address issue #147, where PLOGs in this format are interpreted incorrectly:
I've made the PDepArrhenius and MultiPDepArrhenius classes allow MultiArrhenius objects in their arrhenius list of objects. That way khigh and klow can be determined from a duplicate reaction MultiArrhenius object at a single pressure.
I've altered the chemkin reading and writing by storing the PLOG kinetics with MultiArrhenius objects when there are duplicate kinetics at a single pressure, but rewriting to chemkin as two lines of PLOGS at a single pressure.
I've tested it by creating a kinetics library from a chemkin file- it works and creates the correct PDepArrhenius object. I think the chemkin read and write also works.
One problem that might occur is if the pressures in the PLOG are slightly off, as in if one is 0.01 and another pressure is 0.01001. Should we combine those kinetics? For now I ignore that and only do an identical P1 == P2 check.