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...

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...

The global phase diagram ~i.e., vapor–liquid and fluid–solid equilibrium! of two-center Lennard-Jones ~2CLJ! model molecules of bond length L5s has been determined by computer simulation. The vapor–liquid equilibrium conditions are obtained using the Gibbs ensemble Monte Carlo method and by performing isobaric-isothermal NPT calculations at zero pressure. In the case of the solid phase, two clo...

We analyze the properties of naturally formed nanobubbles in Lennard-Jones molecular dynamics simulations of liquid-to-vapor nucleation in the boiling and the cavitation regimes. The large computational volumes provide a realistic environment at unchanging average temperature and liquid pressure, which allows us to accurately measure properties of bubbles from their inception as stable, critica...