Fix definition of elemental mole fraction #286
Merged
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@thomasfiala, I was looking at the definition that was introduced for the elemental mole fraction in 4bc4fda, and I don't think it's correct. I thought it looked okay at the time, but thinking about it again, I think it should be invariant under composition changes which conserve atoms, e.g. a mixture with composition
CH4:1, O2:2
should have the same elemental mole fractions asCO2:1, H2O:2
. Also, like the relationship between species mass and mole fractions, the elemental mass and mole fractions should satisfyZ_mass,m = Z_mole,m * W_m / sum(Z_mole,j * W_j)
, which the existing definition does not. The new definition implemented in this PR satisfies both of these constraints.