Journal ArticleDOI
High-pressure vapor-liquid equilibrium with a UNIFAC-based equation of state
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In this paper, the ability of the mixing rules proposed by Michelsen to predict high-pressure phase equilibrium, when used in combination with the parameter table of modified UNIFAC, was investigated.Abstract:
Recent procedures developed by Heidemann (1990) and by Michelsen (1990a, b) enable us to formally incorporate excess Gibbs energy model parameters into a fully consistent equation of state, cith accurate reproduction of the behavior of the excess Gibbs energy model at atmospheric pressure.
This paper investigates the ability of the mixing rules proposed by Michelsen to predict high-pressure phase equilibrium, when used in combination with the parameter table of modified UNIFAC. Considering that a group contribution method is used for the excess Gibbs energy and that model parameters are extrapolated over a 200 K temperature interval, quite satisfactory results are obtained for the mixtures investigated.read more
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Prediction of liquid-liquid equilibria at high pressure for binary systems using EOS-GE models: methanol + hydrocarbon systems
TL;DR: In this paper, the equation of state-Gibbs energy (EOS-GE) model was examined for the prediction of liquid-liquid equilibria (LLE) at high pressure on the basis of LLE data at 0.1 MPa.
Journal ArticleDOI
Modeling of Chemical Equilibrium and Gas Phase Behavior for the Direct Synthesis of Dimethyl Carbonate from CO2 and Methanol
TL;DR: In this paper, the chemical and gas phase equilibrium of the direct synthesis of DMC from methanol (MeOH) and CO2 was modeled under mild conditions of temperature and pressure, and deviations from ideality for the quaternary mixture (CO2 + MeOH + DMC + H2O) were estimated using the γ- ϕ thermodynamic approach.
Journal ArticleDOI
Evaluation of vapor—liquid equilibrium of CO2 binary systems using UNIQUAC-based Huron—Vidal mixing rules
TL;DR: In this paper, the ability of several mixing rules to predict and correlate the high-pressure vapor-liquid equilibrium used in combination with the UNIFAC and UNIQUAC models is investigated.
Journal ArticleDOI
Modelling the influence of pressure on the phase behavior of systems containing water oil and nonionic surfactants
TL;DR: In this paper, the UNIQUAC GE-model was combined with the SRK-EOS and a quadratic mixing rule for the covolume parameter, b, with an additional interaction parameter 11j is introduced.
Journal ArticleDOI
Phase Equilibrium Calculations for Chemically Reacting Systems
TL;DR: In this paper, an overall strategy for phase equilibrium calculations within chemically reacting multicomponent nonideal systems is presented, which involves three stages and employs an indirect method to determine the phase configuration of the reacting system at equilibrium.
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