The effects of the finite size of a liquid drop undergoing a phase transition are described in terms of the complement, the largest (but mesoscopic) drop representing the liquid in equilibrium with the vapor. Vapor cluster concentrations, pressure, and density from fixed mean density lattice gas (Ising) calculations are explained in terms of the complement generalization of Fisher's model. Acco...

Gibbs did not consider the Kelvin equation for the vapor pressure of small drops for the obvious reason that it does not constitute chemical equilibrium. The Kelvin equation represents true equilibrium between vapor and a flat surface of liquid water, where the liquid is under a pressure greater than the vapor by any assigned value AP. For example, in a closed vessel in the presence of an inert...

The modified NRTL (m-NRTL) model is used to represent the excess Gibbs free energy of aqueous (alcohol + electrolyte) solutions. In this work, the m-NRTL model previously developed for representation of vapor-liquid equilibria for (polymer + salt + water) systems has been extended to represent liquid-liquid equilibria of (alcohol + salt + water) systems. The proposed extension is a modified of ...

Non-equilibrium molecular dynamic (NEMD) simulations have been used to study heat and mass transfer across a vapor-liquid interface for a one-component system using a Lennard-Jones spline potential. It was confirmed that the relation between the surface tension and the surface temperature in the non-equilibrium system was the same as in equilibrium (local equilibrium). Interfacial transfer coef...

A new element- and chemical bond-dependent GE-EoS model(SRK-UNICAC) is proposed to consider the deviation of vapor liquid phases from ideal state. The SRK-UNICAC model combines UNICAC SRK cubic equation It uses original interaction parameters this calculate GE. predicted vapor-liquid equilibria for 87 binary systems under low- medium-pressure conditions, 12 high-pressure 14 ternary systems; a c...

Experimental VLE data for binary systems of ethanol or water with three 1-ethyl-3-methylimidazolium ionic liquids (ILs) containing different anions were measured at normal pressure using the Siwoloboff procedure. ILs selected in this study those that appear to be suitable ethanol−water mixture separation by extractive distillation. Measured vapor–liquid equilibria described extended Raoult's la...

RESUMO – This work aimed the evaluation of a saline extractive distillation for the ethanol production. Unlike the current method of dehydration of ethanol, which uses a solvent, distillation with the use of salt does not include problems related to toxicity and has lower power consumption, since salt is not volatilized within the distillation column. Many salts had been tested like calcium chl...

Here, we present a simple method for optimizing the fitting of molecular parameters involving vapor−liquid equilibria (VLE) and selected secondorder thermodynamic properties and experimental data. The procedure is applied, as an example to the soft Statistical Associating Fluid Theory (soft-SAFT) equation of state. The method involves the introduction and testing of coupling factors ranging fro...