Standard state Gibbs energies of hydration of hydrocarbons at elevated temperatures as evaluated from experimental phase equilibria studies

Andrey V. Plyasunov, Everett Shock

Research output: Contribution to journalArticle

30 Citations (Scopus)

Abstract

Experimental results of phase equilibria studies at elevated temperatures for more than twenty hydrocarbon-water systems were uniformly correlated within the framework of the Peng-Robinson-Stryjek-Vera equation of state in combination with simple mixing rules. This treatment allows evaluation of the Gibbs energy of hydration for many alkanes, 1-alkenes, cycloalkanes (derivatives of cyclohexane) and alkylbenzenes up to 623 K at saturated water vapor pressure and up to 573 K at 50 MPa. Results for homologous series show regular changes with increasing carbon number, and confirm the applicability of the group contribution approach to the Gibbs energy of hydration of hydrocarbons at elevated temperatures. The temperature dependence of group contributions to the Gibbs energy of hydration were determined for CH3, CH2, and CH in aliphatic hydrocarbons; C=C and H for alkenes; c-CH2 and c-CH in cycloalkanes; and CH(ar) and C(ar) in alkylbenzenes (or aromatic hydrocarbons). Close agreement between calculated and experimental results suggests that this approach provides reasonable estimates of Gibbs energy of hydration for many alkanes, 1-alkenes, alkyl cyclohexanes and alkylbenzenes at temperatures up to 623 K and pressures up to 50 MPa. Copyright (C) 2000 Elsevier Science Ltd.

Original languageEnglish (US)
Pages (from-to)2811-2833
Number of pages23
JournalGeochimica et Cosmochimica Acta
Volume64
Issue number16
DOIs
StatePublished - 2000
Externally publishedYes

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phase equilibrium
Gibbs free energy
Hydrocarbons
hydration
Phase equilibria
Hydration
alkene
Alkenes
Cycloparaffins
hydrocarbon
Alkanes
alkane
energy
Cyclohexanes
temperature
Aromatic Hydrocarbons
Temperature
aliphatic hydrocarbon
Steam
aromatic hydrocarbon

ASJC Scopus subject areas

  • Geochemistry and Petrology

Cite this

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abstract = "Experimental results of phase equilibria studies at elevated temperatures for more than twenty hydrocarbon-water systems were uniformly correlated within the framework of the Peng-Robinson-Stryjek-Vera equation of state in combination with simple mixing rules. This treatment allows evaluation of the Gibbs energy of hydration for many alkanes, 1-alkenes, cycloalkanes (derivatives of cyclohexane) and alkylbenzenes up to 623 K at saturated water vapor pressure and up to 573 K at 50 MPa. Results for homologous series show regular changes with increasing carbon number, and confirm the applicability of the group contribution approach to the Gibbs energy of hydration of hydrocarbons at elevated temperatures. The temperature dependence of group contributions to the Gibbs energy of hydration were determined for CH3, CH2, and CH in aliphatic hydrocarbons; C=C and H for alkenes; c-CH2 and c-CH in cycloalkanes; and CH(ar) and C(ar) in alkylbenzenes (or aromatic hydrocarbons). Close agreement between calculated and experimental results suggests that this approach provides reasonable estimates of Gibbs energy of hydration for many alkanes, 1-alkenes, alkyl cyclohexanes and alkylbenzenes at temperatures up to 623 K and pressures up to 50 MPa. Copyright (C) 2000 Elsevier Science Ltd.",
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AU - Plyasunov, Andrey V.

AU - Shock, Everett

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N2 - Experimental results of phase equilibria studies at elevated temperatures for more than twenty hydrocarbon-water systems were uniformly correlated within the framework of the Peng-Robinson-Stryjek-Vera equation of state in combination with simple mixing rules. This treatment allows evaluation of the Gibbs energy of hydration for many alkanes, 1-alkenes, cycloalkanes (derivatives of cyclohexane) and alkylbenzenes up to 623 K at saturated water vapor pressure and up to 573 K at 50 MPa. Results for homologous series show regular changes with increasing carbon number, and confirm the applicability of the group contribution approach to the Gibbs energy of hydration of hydrocarbons at elevated temperatures. The temperature dependence of group contributions to the Gibbs energy of hydration were determined for CH3, CH2, and CH in aliphatic hydrocarbons; C=C and H for alkenes; c-CH2 and c-CH in cycloalkanes; and CH(ar) and C(ar) in alkylbenzenes (or aromatic hydrocarbons). Close agreement between calculated and experimental results suggests that this approach provides reasonable estimates of Gibbs energy of hydration for many alkanes, 1-alkenes, alkyl cyclohexanes and alkylbenzenes at temperatures up to 623 K and pressures up to 50 MPa. Copyright (C) 2000 Elsevier Science Ltd.

AB - Experimental results of phase equilibria studies at elevated temperatures for more than twenty hydrocarbon-water systems were uniformly correlated within the framework of the Peng-Robinson-Stryjek-Vera equation of state in combination with simple mixing rules. This treatment allows evaluation of the Gibbs energy of hydration for many alkanes, 1-alkenes, cycloalkanes (derivatives of cyclohexane) and alkylbenzenes up to 623 K at saturated water vapor pressure and up to 573 K at 50 MPa. Results for homologous series show regular changes with increasing carbon number, and confirm the applicability of the group contribution approach to the Gibbs energy of hydration of hydrocarbons at elevated temperatures. The temperature dependence of group contributions to the Gibbs energy of hydration were determined for CH3, CH2, and CH in aliphatic hydrocarbons; C=C and H for alkenes; c-CH2 and c-CH in cycloalkanes; and CH(ar) and C(ar) in alkylbenzenes (or aromatic hydrocarbons). Close agreement between calculated and experimental results suggests that this approach provides reasonable estimates of Gibbs energy of hydration for many alkanes, 1-alkenes, alkyl cyclohexanes and alkylbenzenes at temperatures up to 623 K and pressures up to 50 MPa. Copyright (C) 2000 Elsevier Science Ltd.

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