Correlation of binary interaction coefficients for hydrate inhibition using the Soave-Redlich-Kwong Equation of State and the Huron-Vidal mixing rule

The paper presents a detailed algorithm for calculating the vapor-liquid phase equilibrium for multicomponent systems based on the Peng-Robinson equation of state. Various approaches are considered that make it possible to improve the quality of predicting phase equilibrium by the example of eight binary helium systems containing nitrogen, argon, carbon dioxide, methane, ethane, propane, isobutane, and n-butane. The influence of the acentric factor and the binary interaction parameter on the accuracy of the helium systems phase behavior predicting is analyzed. The optimal interaction coefficients for the presented systems are found under the assumption that this parameter does not depend on temperature. The temperature range of applicability of various approaches is determined, which makes it possible to maximize the description of the phase behavior of helium systems.

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Application of the Redlich-Kwong-Soave equation of state to the solubility of water in compressed gases

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19841116 ◽

1984 ◽

Vol 49 (5) ◽

pp. 1116-1121

Author(s):

Josef P. Novák ◽

Jaroslav Matouš ◽

Petr Pick ◽

Jiří Pick

Keyword(s):

Equation Of State ◽

Binary Systems ◽

Equations Of State ◽

Published Data ◽

Interaction Coefficients

Published data on the solubility of water in compressed gases were employed for calculating the interaction coefficients kij in the Redlich-Kwong-Soave equations of state for binary systems of water with argon, nitrogen, CO2, N2O, CH4, C2H6, or C2H4. With these coefficients, the estimate of the solubility of water in these gases has been improved by more than one order.

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Correlation and prediction of solubility of hydrogen in alkenes and its dissolution properties

Applied Petrochemical Research ◽

10.1007/s13203-020-00260-w ◽

2021 ◽

Author(s):

Mohammad Jamali ◽

Amir Abbas Izadpanah ◽

Masoud Mofarahi

Keyword(s):

Equation Of State ◽

Binary Interaction ◽

Absolute Deviation ◽

Dissolution Properties ◽

Different Temperatures ◽

Binary Interaction Parameters ◽

Delta G ◽

Hoff Equation ◽

Increasing Temperature ◽

Total Average

AbstractIn this work, solubility of hydrogen in some alkenes was investigated at different temperatures and pressures. Solubility values were calculated using the Peng–Robinson equation of state. Binary interaction parameters were calculated using fitting the equation of state on experimental data, Group contribution method and Moysan correlations and total average absolute deviation for these methods was 3.90, 17.60 and 13.62, respectively. Because hydrogen solubility in Alkenes is low, Henry’s law for these solutions were investigated, too. Results of calculation showed with increasing temperature, Henry’s constant was decreased. The temperature dependency of Henry’s constants of hydrogen in ethylene and propylene was higher than to other alkenes. In addition, using Van’t Hoff equation, the thermodynamic parameters for dissolution of hydrogen in various alkenes were calculated. Results indicated that the dissolution of hydrogen was spontaneous and endothermic. The total average of dissolution enthalpy ($${\Delta H}^{^\circ }$$ Δ H ∘ ) and Gibbs free energy ($${\Delta G}^{^\circ }$$ Δ G ∘ ) for these systems was 3.867 kJ/mol and 6.361 kJ/mol, respectively. But dissolution of hydrogen in almost of alkenes was not an entropy-driven process.

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Prediction of vapor–liquid equilibria for supercritical alcohol+fatty acid ester systems by SRK equation of state with Wong–Sandler mixing rule based on COSMO theory

The Journal of Supercritical Fluids ◽

10.1016/j.supflu.2008.02.013 ◽

2008 ◽

Vol 46 (1) ◽

pp. 4-9 ◽

Cited By ~ 18

Author(s):

Yusuke Shimoyama ◽

Toshio Abeta ◽

Yoshio Iwai

Keyword(s):

Fatty Acid ◽

Equation Of State ◽

Fatty Acid Ester ◽

Acid Ester ◽

Mixing Rule ◽

Rule Based ◽

Supercritical Alcohol ◽

Vapor Liquid Equilibria ◽

Vapor Liquid

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Solid-Fluid Phase Equilibria Measurement for Mixtures of Methane, Carbon-Dioxide and N-Hexadecane

10.2118/208245-ms ◽

2021 ◽

Author(s):

Oluwakemi Victoria Eniolorunda ◽

Antonin Chapoy ◽

Rod Burgass

Keyword(s):

Experimental Data ◽

Carbon Dioxide ◽

Equation Of State ◽

Phase Equilibria ◽

Activity Coefficients ◽

Fluid Phase ◽

Ternary Mixtures ◽

Binary Interaction ◽

Thermodynamic Models ◽

Methane Carbon

Abstract In this study, new experimental data using a reliable approach are reported for solid-fluid phase equilibrium of ternary mixtures of Methane-Carbon-dioxide- n-Hexadecane for 30-73 mol% CO2 and pressures up to 24 MPa. The effect of varying CO2 composition on the overall phase transition of the systems were investigated. Three thermodynamic models were used to predict the liquid phase fugacity, this includes the Peng Robison equation of state (PR-EoS), Soave Redlich-Kwong equation of state (SRK-EoS) and the Cubic plus Association (CPA) equation of state with the classical mixing rule and a group contribution approach for calculating binary interaction parameters in all cases. To describe the wax (solid) phase, three activity coefficient models based on the solid solution theory were investigated: the predictive universal quasichemical activity coefficients (UNIQUAC), Universal quasi-chemical Functional Group activity coefficients (UNIFAC) and the predictive Wilson approach. The solid-fluid equilibria experimental data gathered in this experimental work including those from saturated and under-saturated conditions were used to check the reliability of the various phase equilibria thermodynamic models.

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