Abstract
A new density-dependent local composition model was derived for calculating phase equilibria of supercritical fluid mixtures. In the model, the probability of finding j-molecules about an i-molecule is given by a Wilson type equation in which the j-i interaction is represented by a Lennard-Jones (LJ) potential. The local composition in both nearest and second-nearest neighbors was considered for developing an equation of state for mixtures from two-fluid theory. Phase equilibrium calculations with the new model were performed for representative argon-hydrocarbon, hydrocarbon-hydrocarbon and CO2-alcohol binary mixtures. Accurate prediction could be obtained for the systems whose components are well known to be LJ fluids.
Original language | English |
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Pages (from-to) | 13-20 |
Number of pages | 8 |
Journal | Fluid Phase Equilibria |
Volume | 125 |
Issue number | 1-2 |
DOIs | |
Publication status | Published - 1996 Oct 15 |
Keywords
- Lennard-Jones potential
- Local composition model
- Phase equilibria
ASJC Scopus subject areas
- Chemical Engineering(all)
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry