The global phase behavior (i.e., vapor-liquid and fluid-solid equilibria) of rigid linear Lennard-Jones (LJ) chain molecules is studied. The phase diagrams for three-center and five-center rigid model molecules are obtained by computer simulation. The segment-segment bond lengths are L = sigma, so that models of tangent monomers are considered in this study. The vapor-liquid equilibrium conditi...

Abstract We present an interpretation of the phase diagram for a binary alloy from point view reaction dynamics. consider model system in which two-component liquid is ideal solution, but solid can be non-ideal, with its non-ideality increasing reducing temperature. show how ‘batch’ evolution solid–liquid system, interfacial growth rates are proportional to free energy differences, leads set fo...

Abstract: Reliable knowledge of the thermophysical properties of pure compounds and their mixtures in the whole composition and a wide temperature and pressure range is a vital prerequisite for computer-aided synthesis, design, and optimization of chemical processes. Knowledge of the various phase equilibria is most important for the development of thermal separation processes (but also for oth...

The huge number of possible combinations of binary mixtures of alcohols and ionic liquids (ILs) make the exhaustive measurement of all these ystems impracticable requiring the use of a predictive model for their study. In this work, the predictive capability of COSMO-RS, a model based n unimolecular quantum chemistry calculations, was evaluated for the description of the liquid–liquid equilibri...

the presence of particles in liquid-solid fluidized beds enhances the bed heat transfer, because the movement of the particles leads to an increased turbulence in the system. moreover, the violent movement of the particles has a positive effect on fouling of the heat transfer surface. the aim of this investigation was to perform systematic measurements of bed voidage and heat transfer coefficie...

In this work, new experimental data on thermodynamic properties of ionic liquid (IL) aqueous solutions are presented. The (vapor + liquid) phase equilibria, density, and dynamic viscosity binary mixtures composed N,N-diethyl-N-methylammonium bromide ([NH,1,2,2][Br]), or methanesulfonate ([NH,1,2,2][CH3SO3]) water presented as functions temperature composition. Both ILs were synthesized specific...