TY - JOUR
T1 - Standard state Gibbs energies of hydration of hydrocarbons at elevated temperatures as evaluated from experimental phase equilibria studies
AU - Plyasunov, Andrey V.
AU - Shock, Everett L.
N1 - Funding Information:
The authors are indebted to Vladimir Majer for sharing experimental results from his laboratory in advance of publication and for comments on an earlier version of the manuscript. The authors are grateful to three anonymous reviewers for constructive suggestions leading to clarification of the text and corrections of some misprints. This research was supported by US Department of Energy (DOE) grant number DE-FG02-92ER-14297. This is GEOPIG contribution # 195.
PY - 2000
Y1 - 2000
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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U2 - 10.1016/S0016-7037(00)00401-4
DO - 10.1016/S0016-7037(00)00401-4
M3 - Article
AN - SCOPUS:0033818210
SN - 0016-7037
VL - 64
SP - 2811
EP - 2833
JO - Geochimica et Cosmochimica Acta
JF - Geochimica et Cosmochimica Acta
IS - 16
ER -