Vapour-liquid equilibria for Stockmayer fluids

Vapour-liquid equilibria of Stockmayer fluids Computer simulations and perturbation theory

Gibbs ensemble simulation data for Stockmayer fluids with #.2 = 3.0 and #.2 = 4.0 in the reduced temperature range of 0-77 (resp. 0.80)-0"98 and presented and compared with predictions based on the perturbation theories of Stell, G., Rasaiah, J. C., and Narang, H., 1972, Molec. Phys., 23, 393; 1974, 27, 1393. The description of the reference fluid is improved by applying the modified Benedict-W...

Vapour-liquid equilibria for quadrupolar Lennard- Jones fluids

Monte Carlo calculations in the Gibbs ensemble are reported for pure quadrupolar Lennard-Jones fluids. The vapour-liquid equilibrium curves, critical temperatures, and critical densities are calculated for various quadrupolar strengths (e*’ = Q’/Eu’ = 1.0, 1.5, 2.0 and 2.5). It is shown that as the quadrupolar strength increases both the critical temperature and the critical density increase. C...

Vapor–liquid coexistence of quasi-two- dimensional Stockmayer fluids

Phase Coexistence Properties of Polarizable Stockmayer Fluids

We report the phase coexistence properties of polarizable Stockmayer fluids of reduced permanent dipoles |m0| = 1.0 and 2.0 and reduced polarizabilities α∗ = 0.00, 0.03, and 0.06, calculated by a series of grand canonical Monte Carlo simulations with the histogram reweighting method. In the histogram reweighting method, the distributions of density and energy calculated in Grand Canonical Monte...

Polymer Gel-Liquid Equilibria Using Uniface-FV

Based on Gibbs-Duhem law and using UNIFAC-FV computer algorithm, the activity of polymer component in polymer-solvent systems is determined. The variation of activity of components with concentration at different temperatures are used to find the equilibrium concentration, UCST, and LCST for the systems. Also by generalization of the method, Gel-Liquid equilibrium is studied in some three c...