Abstract
| - Phase equilibrium calculations with cubic equations of state are sensitive to mixing andcombining rules employed. In this work, we present a suitable general form of the combiningrule for the cross-energy parameter, often considered to be the key property in phase equilibriumcalculations. The proposed rule is derived from molecular considerations, namely, the London−Mie theory. The typically used geometric mean (GM) and other combining rules can be deductedfrom this expression from different values of the parameter n, which is the attractive tail of theMie potential. We show that using this n parameter as the variable instead of the commonlyemployed kij offers useful insight into the behavior of cubic equations of state for a large numberof asymmetric systems including gas/alkanes, polymer solutions and blends, and alcohol/alkaneand gas/solid systems.
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