Computational Methods for High-Pressure Phase Equilibria and Other Fluid-Phase Properties Using a Partition Function. 1. Pure Fluids

John M. Prausnitz: Bridging abstractions and realities

“…The subjects ranged from the fundamentally rigorous to the fully applied. Some examples include statistical mechanical partition functions to obtain equations of state, intermolecular force models and molecular simulation, acid‐gas absorption, complex mixtures, and distillation . In other directions, there were 17 articles on adsorption (one of which has been cited 959 times) and seven on weak electrolytes, including one cited 316 times.…”

Identification of the phase of a fluid using partial derivatives of pressure, volume, and temperature without reference to saturation properties: Applications in phase equilibria calculations

“…Anderson and Prausnitz [7] studied the methods for determining the phase equilibria of pure fluids. They proposed that for a given temperature, unambiguous solutions of the equation of state (for volume or density) in the two phase region are obtained by solving for the roots of the derivative (∂p/∂ ) T .…”

Towards the development of theoretically correct liquid activity coefficient models

“…In the following, efforts are made to express the excess Gibbs free en- ergy in terms of molecular interactions among species in the system (and composition and temperature). This is achieved by following closely the approached developed in the generalized van der Waals (GVDW) theory [12,[16][17][18][19][20][21][22]. (Note that conventionally, the one-fluid lattice theory [23] and/or the two-fluid theory [13,24] are used to obtain the expression for G ex .…”