Knowledge of solid–liquid equilibria (SLE) and vapor–liquid (VLE) for mixtures containing deep eutectic solvents (DESs) is paramount importance. We have conducted experiments to obtain additional data SLE systems then used the e-NRTL model predict VLE behavior in DESs comprised choline chloride (ChCl), sorbitol (S), water (W). The under investigation include three 2-component (S/W, ChCl/W, ChCl...

The present study investigates the use of different GE mixing rules in cubic equations of state for prediction of phase behavior of multicomponent hydrocarbon systems. To predict VLE data in multicomponent symmetric and asymmetric mixtures such as systems that contain light gases (nitrogen, carbon dioxide, etc.) and heavy hydrocarbons, the SRK equation of state has been combined with excess Gib...

Abstract This study aims to characterize binary mixtures consisting of a liquid with dissolved gas by determining their dynamic viscosity and interfacial tension using equilibrium molecular dynamics (EMD) simulations in the temperature range between (298 573) K for solute mole fractions up 0.20. With help systematic variation solvent molecules, influence characteristics, e.g., form size, shape,...

A precise experimental method for studying binary vapor-liquid equilibrium is to measure total pressure (P) as a function of the mole fraction in the liquid phase (2). The mole fraction in the vapor (y) is calculated from imthermal P-x experimental data using the Gibbs-Duhem equation. A similar procedure for adsorption is to measure total mass (m) of gas adsorbed as a function of the mole fract...

The empirical success of the Peng-Robinson equation of state (PREOS) is unmatched; there is no other simple equation of state of the van der Waals form that has shown such wide and reliable applicability to the calculation of vapor-liquid equilibria (VLE) for systems containing light hydrocarbons, permanent gases, carbon dioxide, and hydrogen sulfide. PREOS is one of the great success stories o...

Abstract In this study, a theoretical and numerical framework for simulating transcritical flows under variety of conditions interest aerospace propulsion applications is presented. A real-fluid multicomponent multiphase thermodynamic model, based on cubic equation state (EoS) vapor–liquid equilibrium (VLE) assumptions, presented to describe mixtures properties. The versatility model reported s...

Removal of sulfur from gasoline is one of the major processes in refineries. Designing of removal process requires phase equilibrium data of the sulfur with various hydrocarbon systems. 3-Methylthiphene is an organic sulfur compound found in gasoline. In the present work VLE data of 3-Methylthiophene with various hydrocarbons were modeled using genetic algorithm. VLE data were modeled using Wil...

BACKGROUND Phenol is used as a raw material in the polycarbonate industry and incentive for bio-based plastics products increasing, so interest demand phenols. In renewable phenol production processes based on biomass, impurities derived from including other oxygenate compounds, are expected containing solution. Vapor–liquid equilibrium (VLE) of 2-Octanone was studied impact thereon to gain ins...

Nitriles are strong polar compounds showing a highly non-ideal behavior, which makes them challenging systems from a modeling point of view; in spite of this, accurate predictions for the vapor-liquid equilibria of these systems are needed, as some of them, like acetonitrile (CH3CN) and propionitrile (C2H5CN), play an important role as organic solvents in several industrial processes. This work...