[gmx-users] Re: Enthalpy Confusion
mrshirts at gmail.com
Tue Jun 11 23:00:09 CEST 2013
> or should i be doing < U+<V>*ref_p > = <H>?
More specifically, <U> + <V>*ref_p = H
<H> isn't really meaningful thing. I mean, you can define something
such that <H*> = H, but that's not really thermodynamics.
> example system gives <H> = -1168 kJ/mol and i find <H> = -725 kJ/mol either
Interesting. What material at what phase conditions? For liquids,
the PV contribution should be very small.
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