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Small discrepancy when calculating equilibrium constants from final concentrations, Gibbs free energies and direct/reverse reaction rate constants #65

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schneiderfelipe opened this issue Nov 25, 2020 · 1 comment
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@schneiderfelipe
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In the acetic acid example, I get the equivalent of ~0.3 kcal/mol of error when using final concentrations or direct/reverse reaction rate constants for the calculation of the acid dissociation constant, when compared to using the Gibbs free energies.

This is a very small error, but it might be worth checking where it is coming from.

@schneiderfelipe schneiderfelipe added bug Something isn't working help wanted Extra attention is needed labels Nov 25, 2020
@schneiderfelipe schneiderfelipe self-assigned this Nov 25, 2020
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As of now, this issue is completely solved (it happens that I used to apply the concentration correction more than once in some circumstances 😆).

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