Thermodynamic Characterization of Heavy Petroleum Fluids Using Group Contribution Methods

Application of an approach recently published [Carreón-Calderón et al. Ind. Eng. Chem. Res. 2012, 51, 14188–14198] to heavy petroleum fluids allows calculation of critical properties and molecular pseudostructures of their undefined fractions. This approach is based on group contribution methods,...

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Published inIndustrial & engineering chemistry research Vol. 53; no. 13; pp. 5598 - 5607
Main Authors Carreón-Calderón, Bernardo, Uribe-Vargas, Verónica, Ramírez-de-Santiago, Mario, Ramírez-Jaramillo, Edgar
Format Journal Article
LanguageEnglish
Published American Chemical Society 02.04.2014
Subjects
Computational fluid dynamics
Crude oil
Fluid flow
Fluids
Free energy
Heavy petroleum
Mathematical models
Mixing rules
Thermodynamics
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Summary:Application of an approach recently published [Carreón-Calderón et al. Ind. Eng. Chem. Res. 2012, 51, 14188–14198] to heavy petroleum fluids allows calculation of critical properties and molecular pseudostructures of their undefined fractions. This approach is based on group contribution methods, where classical thermodynamics is used as framework to assign functional groups to each undefined fraction by minimizing its free energy. The calculated properties are employed to determine parameters entering into cubic equations of state and their respective mixing rules requiring molecular structures. Thus, phase equilibrium simulations of heavy petroleum fluids were performed employing neither specific correlations nor parameters, reducing the impact of fluid models over the thermodynamic characterization. The results are in agreement with experimental results of petroleum fluids heavier than 14°API.
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ISSN:0888-5885
1520-5045
DOI:10.1021/ie403967z