Industrial applications of cubic equations of state for VLE calculations, with emphasis on H2 systems

Gray, Ralph D.; Heidman, J.L.; Hwang, Shuen-Cheng; Tsonopoulos, Constantine

doi:10.1016/0378-3812(83)80082-x

Cited by 25 publications

(10 citation statements)

References 22 publications

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“…These K factors are nearly independent of the relative amount of methane. However, in the center section the K factor of tetralin depends strongly on the methane content, as noted previously by Gray et al (1983).…”

Section: O(mentioning

confidence: 74%

Molecular thermodynamics for fluids at low and high densities. Part II: Phase equilibria for mixtures containing components with large differences in molecular size or potential energy

Cotterman

Prausnitz

1986

AIChE Journal

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The molecular-thermodynamic correlation presented in Part I for pure fluids is extended t o mixtures; this extension is particularly useful for mixtures of components with large differences in molecular size or potential energy. The novel feature of this correlation is a separation of the high-density and low-density contributions to the residual Helmholtz energy; this separation allows use of separate mixing rules for each density regime, guided by theoretically defined boundary conditions. Such flexibility is necessary to represent phase equilibria in highly asymmetric fluid mixtures such as water-hydrocarbon systems. Phase equilibria are correlated for a variety of binary and multicomponent mixtures, including a petroleum reservoir fluid containing carbon dioxide and including a mixture of hydrogen and coal-derived liquids.

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Section: O(mentioning

confidence: 74%

Molecular thermodynamics for fluids at low and high densities. Part II: Phase equilibria for mixtures containing components with large differences in molecular size or potential energy

Cotterman

Prausnitz

1986

AIChE Journal

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“…20. A non-zero Dij has been found to help in fitting VLE data for nonhydrocarbon-containing binaries (e.g., Hz binaries; Gray et al, 1983). Thus, the first step in the data analysis is to determine optimum Cij's (and Dij's) by regressing the binary vapor-liquid (hydrocarbon-rich) equilibrium data at P3.…”

Section: Mixing Rules For Equations Of Statementioning

confidence: 99%

“…Above the critical temperature, a and b are set equal to their respective values at the critical temperature. The RKJZ equation of state has been successfully applied to a wide variety of systems, including those containing hydrogen (Gray et al, 1983) and water (TW, 1983).…”

Section: Modifications Of the Redlich-kwong Equatlons Ofmentioning

confidence: 99%

High‐temperature mutual solubilities of hydrocarbons and water. Part II: Ethylbenzene, ethylcyclohexane, and n‐octane

Heidman

Tsonopoulos

Brady³

et al. 1985

AIChE Journal

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181

136

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In Part I (Tsonopoulos and Wilson, 1983), the mutual solubilities of three Ca hydrocarbons (benzene, cyclohexane, n-hexane) and water were experimentally investigated and, together with critically selected literature data, were correlated up to the three-phase critical end point. The present paper extends this analysis to the mutual solubilities of three Cs hydrocarbons (ethylbenzene, ethylcyclohexane, n-octane) and water, which have been measured at the threephase equilibrium pressure up to the critical temperatures (568,561 and 539 K, respectively), A thermodynamic analysis of these new measurements and of available literature data has been performed up to the three-phase critical end point. Information is also provided on vapor-phase equilibrium compositions. The solubility of hydrocarbons in water has been used to calculate Henry's constants, while the solubility and volatility of water in hydrocarbons has been successfully correlated with several modifications of the Redlich-Kwong equation of state. SCOPEThe importance of hydrocarbon/water mutual solubilities to the design and operation of process equipment in refineries and petrochemical pIants was discussed by Tsonopoulos and Wilson (1983) [this reference will be cited as TW (1983)J The same reference also discussed the correlation and prediction of mutual solubilities, Henry's constants for hydrocarbons in water, and the use of equations of slate. All these were applied to Ce hydrocarbons, for which much more is known than for other hydrocarbons.Our work continues with CS hydrocarbons to study the effect of carbon number on mutual solubilities. But we have also expanded the scope of our study by including experimental data for the vapor composition and the three-phase critical end point, the highest temperature at which the vapor and the two liquid phases coexist.

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“…Obviously, the addition of &ty improves the calculation for K-values of m-xylene. Gray et al (1983), in their equilibrium calculations for hydrogen in mixtures with heavy hydrocarbons by the Redlich-Kwong-Zudkevitch-Joffe equation of state, found a strong temperature dependence of kaij, but the dependence can be eliminated through the use of two parameters kaii and fejy. Mathias (1983) applied eqs 1 and 4 but with different expressions for ay and by.…”

Section: Data Correlationmentioning

confidence: 99%

High-Temperature Phase Equilibria for Asymmetric Mixtures of Helium + m-Xylene and Nitrogen + m-Xylene

Lin¹,

Lee²,

Lee³

1995

Ind. Eng. Chem. Res.

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Industrial applications of cubic equations of state for VLE calculations, with emphasis on H2 systems

Cited by 25 publications

References 22 publications

Molecular thermodynamics for fluids at low and high densities. Part II: Phase equilibria for mixtures containing components with large differences in molecular size or potential energy

Molecular thermodynamics for fluids at low and high densities. Part II: Phase equilibria for mixtures containing components with large differences in molecular size or potential energy

High‐temperature mutual solubilities of hydrocarbons and water. Part II: Ethylbenzene, ethylcyclohexane, and n‐octane

High-Temperature Phase Equilibria for Asymmetric Mixtures of Helium + m-Xylene and Nitrogen + m-Xylene

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