Investigation of the liquid-vapor equilibrium in the mixture of carbon dioxide and normal alkanes in binary systems using the Peng-Robinson equation of state modified with mixing rules
This study uses the Peng-Robinson equation of state to investigate the vapor-liquid equilibrium in binary and non-ideal systems that contain CO2 and normal alkanes. The classic van der Waals mixing rule with binary interaction parameters enhanced by the Jaubert et al. aggregation model is employed,...
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Elsevier
2025-03-01
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| Series: | Chemical Thermodynamics and Thermal Analysis |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S266731262500001X |
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| author | Ahad Khaghani Mojtaba Saei Moghaddam Mohammad Fani Kheshti |
| author_facet | Ahad Khaghani Mojtaba Saei Moghaddam Mohammad Fani Kheshti |
| author_sort | Ahad Khaghani |
| collection | DOAJ |
| description | This study uses the Peng-Robinson equation of state to investigate the vapor-liquid equilibrium in binary and non-ideal systems that contain CO2 and normal alkanes. The classic van der Waals mixing rule with binary interaction parameters enhanced by the Jaubert et al. aggregation model is employed, along with the Wong-Sandler mixing rule as a G-Excess model to improve phase equilibrium calculations. Results show that the Peng-Robinson model alone has average errors of 5.82 % in the vapor phase and 7.24 % in the liquid phase, emphasizing the need for binary interaction coefficients for accuracy. Incorporating these coefficients reduces errors to 0.85 % in the vapor phase and 1.33 % in the liquid phase. Furthermore, combining the Peng-Robinson model with Jaubert et al.'s model yields average errors of 1.26 % in the vapor phase and 1.95 % in the liquid phase while utilizing the Wong-Sandler mixing rule as a G-Excess model to improve phase equilibrium calc mixing rule with three fitted coefficients results in errors of 1.02 % and 1.30 %, respectively. For binary mixtures of CO2 and hydrocarbons lighter than C10, the Wong-Sandler mixing rule, binary interaction coefficient, and Jaubert et al. fitting model improve the VLE predictions in the vapor phase by 82.45 %, 85.40 %, and 78.33 %, respectively. In the liquid phase, these methods improve the predictions by 81.95 %, 81.62 %, and 73.02 %, respectively. These findings provide valuable insights for industries dealing with CO2 and normal alkane mixtures, offering opportunities for enhanced accuracy in various industrial applications. |
| format | Article |
| id | doaj-art-b4d508ffe78045f8b28397d994064c37 |
| institution | Kabale University |
| issn | 2667-3126 |
| language | English |
| publishDate | 2025-03-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Chemical Thermodynamics and Thermal Analysis |
| spelling | doaj-art-b4d508ffe78045f8b28397d994064c372025-02-10T04:35:28ZengElsevierChemical Thermodynamics and Thermal Analysis2667-31262025-03-0117100161Investigation of the liquid-vapor equilibrium in the mixture of carbon dioxide and normal alkanes in binary systems using the Peng-Robinson equation of state modified with mixing rulesAhad Khaghani0Mojtaba Saei Moghaddam1Mohammad Fani Kheshti2Department of Chemical Engineering, Faculty of Advanced Technologies, Quchan University of Technology, Quchan, IranDepartment of Chemical Engineering, Faculty of Advanced Technologies, Quchan University of Technology, Quchan, Iran; Corresponding author.Department of Mechanical Engineering, National University of Skills (NUS), Tehran, IranThis study uses the Peng-Robinson equation of state to investigate the vapor-liquid equilibrium in binary and non-ideal systems that contain CO2 and normal alkanes. The classic van der Waals mixing rule with binary interaction parameters enhanced by the Jaubert et al. aggregation model is employed, along with the Wong-Sandler mixing rule as a G-Excess model to improve phase equilibrium calculations. Results show that the Peng-Robinson model alone has average errors of 5.82 % in the vapor phase and 7.24 % in the liquid phase, emphasizing the need for binary interaction coefficients for accuracy. Incorporating these coefficients reduces errors to 0.85 % in the vapor phase and 1.33 % in the liquid phase. Furthermore, combining the Peng-Robinson model with Jaubert et al.'s model yields average errors of 1.26 % in the vapor phase and 1.95 % in the liquid phase while utilizing the Wong-Sandler mixing rule as a G-Excess model to improve phase equilibrium calc mixing rule with three fitted coefficients results in errors of 1.02 % and 1.30 %, respectively. For binary mixtures of CO2 and hydrocarbons lighter than C10, the Wong-Sandler mixing rule, binary interaction coefficient, and Jaubert et al. fitting model improve the VLE predictions in the vapor phase by 82.45 %, 85.40 %, and 78.33 %, respectively. In the liquid phase, these methods improve the predictions by 81.95 %, 81.62 %, and 73.02 %, respectively. These findings provide valuable insights for industries dealing with CO2 and normal alkane mixtures, offering opportunities for enhanced accuracy in various industrial applications.http://www.sciencedirect.com/science/article/pii/S266731262500001XPeng-RobinsonBinary mixtureLiquid-vapor equilibriumMixing ruleEquation of state |
| spellingShingle | Ahad Khaghani Mojtaba Saei Moghaddam Mohammad Fani Kheshti Investigation of the liquid-vapor equilibrium in the mixture of carbon dioxide and normal alkanes in binary systems using the Peng-Robinson equation of state modified with mixing rules Chemical Thermodynamics and Thermal Analysis Peng-Robinson Binary mixture Liquid-vapor equilibrium Mixing rule Equation of state |
| title | Investigation of the liquid-vapor equilibrium in the mixture of carbon dioxide and normal alkanes in binary systems using the Peng-Robinson equation of state modified with mixing rules |
| title_full | Investigation of the liquid-vapor equilibrium in the mixture of carbon dioxide and normal alkanes in binary systems using the Peng-Robinson equation of state modified with mixing rules |
| title_fullStr | Investigation of the liquid-vapor equilibrium in the mixture of carbon dioxide and normal alkanes in binary systems using the Peng-Robinson equation of state modified with mixing rules |
| title_full_unstemmed | Investigation of the liquid-vapor equilibrium in the mixture of carbon dioxide and normal alkanes in binary systems using the Peng-Robinson equation of state modified with mixing rules |
| title_short | Investigation of the liquid-vapor equilibrium in the mixture of carbon dioxide and normal alkanes in binary systems using the Peng-Robinson equation of state modified with mixing rules |
| title_sort | investigation of the liquid vapor equilibrium in the mixture of carbon dioxide and normal alkanes in binary systems using the peng robinson equation of state modified with mixing rules |
| topic | Peng-Robinson Binary mixture Liquid-vapor equilibrium Mixing rule Equation of state |
| url | http://www.sciencedirect.com/science/article/pii/S266731262500001X |
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