Journal Article10.1080/00268978800101601
Phase equilibria of associating fluids
1.1K
TL;DR: In this article, the authors derived expressions for changes in the thermodynamic properties due to association in mixtures of molecules with multiple bonding sites, where the equations are written in terms of a hard-core reference whose pair distribution function is known.
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Abstract: As a continuation of our work on spherical associating molecules, we have derived expressions for changes in the thermodynamic properties due to association in mixtures of molecules with multiple bonding sites. The equations are written in terms of a hard-core reference whose pair distribution function is known. In practise, the hard-sphere reference mixture is the easiest to use. A reference system of homonuclear chains is examined in order to account for asymmetries in molecular shape; chains are constructed by bonding equal-sized spheres together. An equation of state for hard-sphere chains is obtained which is in good agreement with recent simulation data. Expressions for mixtures of homonuclear chains of different sizes are also presented. The approach is extended to examine associating chain molecules with multiple bonding sites. The phase equilibria of non-associating chains, and of associating chains with one or two bonding sites are determined. In this study, the separate effects of molecular ass...
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