Abstract
Thermodynamic quantities of the classical He+H2 mixtures were simulated in the isothermalisobaric ensemble at T=300 K, P =54 kbar, and several concentrations. The chemical potentials were extrapolated in three directions (T,P,x) with their derivatives calculated by the energy difference method in combination with a modified Kirkwood-Buff fluctuation theory. The phase equilibria at different pressures and temperatures were successfully determined.
Original language | English |
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Pages (from-to) | 2424-2428 |
Number of pages | 5 |
Journal | Journal of Chemical Physics |
Volume | 105 |
Issue number | 6 |
DOIs | |
State | Published - Aug 8 1996 |
Externally published | Yes |