It is often difficult to determine the solid-liquid transition by conventional simulation techniques because of the computational challenges posed by two dense phases. Hansen and Verlet [Han69] reported the first molecular simulation results for solid-liquid phase coexistence. They used a thermodynamic integration algorithm that involves the accurate evaluation of free energies. The widely used...

We present a detailed computer simulation and integral equation study of the phase behavior of a nematogenic system composed of hard spheres with embedded three-dimensional Maier-Saupe spins. For this well-known system, we map the gas-liquid equilibrium, which is coupled to a first-order isotropic-nematic transition. The anisotropic integral equation theory is found to yield excellent agreement...

Equilibrium condition is attained when the concentration of the solute remains constant, as a result of zero net transfer of solute sorbed and desorbed from sorbent surface. The equili‐ brium sorption isotherms describe these relationships between the equilibrium concentra‐ tion of the sorbate in the solid and liquid phase at constant temperature. Experimental data may provide different isother...

A method developed for establishing moisture equilibrium curves for any combination of liquid and solid insulation is presented in this paper. Moisture saturation curves for natural and synthetic esters have been presented in the temperature range up to 140°C together with curve for mineral oil as a reference. Sorption isotherms have been established for cellulose based and aramid fiber based m...

A 3D multiphase-field (PhF) model has been developed in order to study the formation of a micropore constrained to grow in a solid network (i.e., pinching effect). The model accounts for the pressure difference due to capillarity between liquid and gas, the equilibrium condition at triple (solid-liquid-pore) lines, the partitioning and diffusion of dissolved gases such as hydrogen. From the pre...

Industrial, large-scale helium recovery from natural gas is typically performed though cryogenic distillation. These technologies need a deep knowledge of the thermodynamics treated mixture: in case to pipeline, CO2 present feed stream might freeze at process operating temperatures. The aim this work analyze thermodynamic behavior four-component mixture CH4–N2–He–CO2 predict its triphasic solid...

Isoplethic thermal analysis was used to determine the solid-liquid-liquid equilibria in the ternary system water-sodium sulfatepiperidine. The changes in state observed on the thermogram recorded during the displacement in a quasi-binary section permit the identification of the different phases and the delimitation of the corresponding equilibrium domains. Two isotherms were established at 25°C...