Prediction of Critical Endpoints Based on the PR Equation of State

›› 2009, Vol. 17 ›› Issue (5): 791-795.

Prediction of Critical Endpoints Based on the PR Equation of State

杨全¹, 朱慎林², 李以圭²

1. Key Laboratory of Energy Resources & Chemical Engineering, Ningxia University, Yinchuan 750021, China;
2. Department of Chemical Engineering, Tsinghua University, Beijing 100084, China

收稿日期:2008-12-29 修回日期:2009-04-17 出版日期:2009-10-28 发布日期:2009-10-28
通讯作者: YANG Quan,E-mail:yangquan99@mails.tsinghua.edu.cn
基金资助:
Supported by the P&G Corporation

Prediction of Critical Endpoints Based on the PR Equation of State

YANG Quan¹, ZHU Shenlin², LI Yigui²

1. Key Laboratory of Energy Resources & Chemical Engineering, Ningxia University, Yinchuan 750021, China;
2. Department of Chemical Engineering, Tsinghua University, Beijing 100084, China

Received:2008-12-29 Revised:2009-04-17 Online:2009-10-28 Published:2009-10-28
Supported by:
Supported by the P&G Corporation

摘要/Abstract

摘要： In the design of chemical processes,such as catalytic cracking of bitumen and heavy oil,the knowledge of phase behavior at the critical endpoint is essential.Based on the PR equation of state,the algorithm developed by Heidemann and Khalil for calculating critical properties was used to compute critical points.An algorithm for determining the equilibrium phase of the critical point using the tangent plane criterion was developed,and was used to calculate the critical endpoints of different mixtures,including non-polar,polar and associating systems.The critical endpoint,representing the type of the phase behavior,was employed to fit the interaction parameter of mixtures in critical state at high pressure.Lines of critical endpoints for ternary mixtures were also determined with the algorithm.

关键词: critical endpoint, PR equation of state, interaction parameter

Abstract: In the design of chemical processes,such as catalytic cracking of bitumen and heavy oil,the knowledge of phase behavior at the critical endpoint is essential.Based on the PR equation of state,the algorithm developed by Heidemann and Khalil for calculating critical properties was used to compute critical points.An algorithm for determining the equilibrium phase of the critical point using the tangent plane criterion was developed,and was used to calculate the critical endpoints of different mixtures,including non-polar,polar and associating systems.The critical endpoint,representing the type of the phase behavior,was employed to fit the interaction parameter of mixtures in critical state at high pressure.Lines of critical endpoints for ternary mixtures were also determined with the algorithm.

Key words: critical endpoint, PR equation of state, interaction parameter

杨全, 朱慎林, 李以圭. Prediction of Critical Endpoints Based on the PR Equation of State[J]. , 2009, 17(5): 791-795.

YANG Quan, ZHU Shenlin, LI Yigui. Prediction of Critical Endpoints Based on the PR Equation of State[J]. , 2009, 17(5): 791-795.

参考文献

1 van Konynenburg, P.H., Scott, R.L., “Critical lines and phase equilibrium in binary van der Waals mixtures”, Philos. Trans. R. Soc. London, A., 298 (9), 495-540 (1980).
2 Peng, D.Y., Robinson, D.B., “A rigorous method for predicting the critical properties of multi-component mixtures from an equation of state”, AIChE J., 23, 137-144 (1977).
3 Zhu, H.B., Gong, M.Q., Zhang, Y., Wu, J.F., “Review of the research on interaction coefficients used in two cubic equations of state for phase equilibria predictions”, Cryogenics, 5, 7-11 (2005).
4 Michelsen, M.L., “Calculation of critical points and of phase boundaries in the critical region”, Fluid Phase Equilib., 16, 57-76 (1984).
5 Stryjek, R., “Critical properties of the N 2 , CH₄ and C₂ H₆+n-alkane mixtures”, Fluid Phase Equilib., 87 (1), 99-114 (1993).
6 Li, C.C., “Critical Temperature estimation for simple mixtures”, Can. J. Chem. Eng., 49 (5), 709-710 (1971).
7 Kreglewski, A., Kay, W.B., “Critical constants of conformed mixtures”, J. Phys. Chem., 73 (10), 3359-3366 (1969).
8 Chueh, P.L., Prausnitz, J.M., “Vapor-liquid equilibria at high pressures:Calculation of partial molar volumes in nonpolar liquid mixtures”, AIChE J., 13 (6), 1099-1107 (1967).
9 Heidemann, R.A., Khalil, A.M., “The calculation of critical points”, AIChE J., 26 (5), 769-780 (1980).
10 Michelsen, M.L., “The isothermal flash problem (I) Stability”, Fluid phase equilib., 9, 1-19 (1982).
11 Michelsen, M.L., “The isothermal flash problem (II) Phase split calculation”, Fluid Phase Equilib., 9, 21-40 (1982).
12 Peng, D.Y., Robinson, D.B., “A new two constant equation of state”, Ind. Eng. Chem. Fundam., 15, 59-64 (1976).
13 Plybon, B.F., “An introduction to applied numerical analysis”, PWS-KENT Publishing Company, Boston (1992).
14 Mehra, R.K., Heidemann, R.A., Aziz, K., “An accelerated successive substitution algorithm”, Can. J. Chem. Eng., 61, 590-596 (1983).
15 Lam, D.H., Jangkamolkulchai, A., Luks, K.D., “Liquid-liquid-vapor phase equilibrium behavior of certain binary ethane+n-alkanol mixtures”, Fluid Phase Equilib., 59, 263-277 (1990).
16 Lin, Y.N., Chen, R.J.J., Chappelear, P.S., Kobayashi, R., “Vapor-liquid equilibrium of the methane-n-hexane system at low temperature”, J. Chem. Eng. Data, 22, 402-408 (1977).
17 Chang, H.L., Hurt, L.J., Kobayashi, R., “Vapour-liquid equilibria of light hydrocarbons at low temperatures and high pressures:The methane-n-heptane system”, AIChE J., 12, 1212-1216 (1966).
18 Peters, C.J., Rijkers, M.P.W.M., Roo, D.J.L., Arons Swaan, J.D., “Phase equilibria in binary mixtures of near critical propane and poly-aromatic hydrocarbons”, Fluid Phase Equilib., 52, 373-387 (1989).
19 Gubblns, K.E., Shlng, K.S., Streett, W.B., “Fluid phase equilibria:Experiment, computer simulation and theory”, J. Phys. Chem., 87 (23), 4573-4585 (1983).
20 Chen, Z.H., Yao, Z., Huang, Z.M., “Comparison of different mixing rules in the calculation of critical properties for binary mixtures based on PR equation of state”, J. Chem. Eng. Chinese Univ., 22 (3), 365-370 (2008). (in Chinese)
21 Luo, M.J., Hu, B., Jiang, T., Xia, S.Q., Ma, P.S., “Analysis and comparison of the alpha functions of SRK equation of state”, Chin. J. Chem. Eng, 16 (5), 766-771 (2008).

Prediction of Critical Endpoints Based on the PR Equation of State

Prediction of Critical Endpoints Based on the PR Equation of State

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