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Update diamond.cti and diamond_cvd.py #630

Merged
merged 1 commit into from
Aug 5, 2019

Commits on Aug 5, 2019

  1. Update diamond.cti and diamond_cvd.py

    Replace data/inputs/diamond.cti with test_problems version that has
    more information. This results in a change in the default pressure and
    mole fractions of the gas phase, which in turn changes the result of
    one of the regression tests. This is fixed by setting the composition
    and pressure of the gas phase in the test to their original values. The
    default state from the CTI file matches from the paper.
    
    In addition, there was a difference in the reversibility of reaction u
    between the files. Since the thermo for C(d) specifies that the
    reaction is irreversible, this is the sense of the reaction that is
    chosen.
    
    Include plotting in the diamond_cvd.py and use open properly.
    agarwalrounak authored and bryanwweber committed Aug 5, 2019
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