VAPOR-LIQUID EQUILIBRIA FOR THREE BINARY MIXTURES OF PROPIONALDEHYDE

Effect of three-body interactions on the vapor-liquid phase equilibria of binary fluid mixtures.

Gibbs-Duhem Monte Carlo simulations are reported for the vapor-liquid phase coexistence of binary argon+krypton mixtures at different temperatures. The calculations employ accurate two-body potentials in addition to contributions from three-body dispersion interactions resulting from third-order triple-dipole interactions. A comparison is made with experiment that illustrates the role of three-...

Determination of Binary Vapor Liquid Equilibria (vle) of Reactive Systems

The simulation of reactive distillation processes requires binary phase equilibrium data and information about the reaction kinetics and equilibrium. The phase equilibrium data for the binary reacting sub-systems are difficult to measure experimentally since the products of reaction affect the binary equilibrium as soon as they are formed. A novel apparatus has been constructed to measure these...

Prediction of Vapor-Liquid Equilibria Using CEOS /GE Models

The present study investigates the use of different GE mixing rules in cubic equations of state for prediction of phase behavior of multicomponent hydrocarbon systems. To predict VLE data in multicomponent symmetric and asymmetric mixtures such as systems that contain light gases (nitrogen, carbon dioxide, etc.) and heavy hydrocarbons, the SRK equation of state has been combined with excess Gib...

Molecular Simulation of Three-body Interactions for Vapor-liquid and Solid-liquid Phase Equilibria

The phase behavior of both pure systems and binary mixtures has been widely studied by molecular simulation [1], using techniques such as the Gibbs ensemble [2], Gibbs-Duhem [3] or histogram reweighing [4] algorithms. The common aim of many of these investigations is to accurately predict the phase diagram using effective intermolecular potentials, most notable the Lennard-Jones potential. In c...

Prediction of Liquid-Liquid Equilibria of Binary Systems Containing Alcohols Using EoS-GE Models