Evaluating the Effect of Different Mixing Rules on Thermodynamic Properties in Different Mixtures
American Journal of Mechanics and Applications
Volume 8, Issue 1, March 2020, Pages: 1-6
Received: Jun. 22, 2019;
Accepted: Jul. 16, 2019;
Published: Jan. 8, 2020
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Fatemeh Fadaei Nobandegani, Department of Food Science and Technology, Fasa University, Fasa, Iran
Abouzar Roeintan, Department of Chemistry, Emam Hossein University, Tehran, Iran
The purpose of this paper is to evaluate the effect of five different mixing rules on the calculated thermodynamic properties including vapor pressure, density and excess property of several binary mixtures. These properties are calculated by ISM (Ihm-Song-Mason) and PHS (Perturb Hard Sphere) equations of state (EOS). Also we use two interaction parameters, Kij to improve the results. The results indicate that mixing rules can effect on predicted thermodynamic properties. The Fit (MADAR-1) mixing rule gives more acceptable values. when the mixture components are similar in size, different mixing rules often do not change the errors in calculated properties more than 2%-1%. However, as the size similarity decreases, the effect of applied mixing rules becomes more important.
Fatemeh Fadaei Nobandegani,
Evaluating the Effect of Different Mixing Rules on Thermodynamic Properties in Different Mixtures, American Journal of Mechanics and Applications.
Vol. 8, No. 1,
2020, pp. 1-6.
U. Deiters, Fluid Phase Equlibria, 33, 267, 1987.
J. Serb. Chem. Soc. 66 (4), 2001, 213–236.
Y. S. Wei, R. J. Sadus, AIChE J. 46, 169, 2000.
A. K. Al-Matar, D. A. Rockstraw, J. Comput. Chem. 25, 660, 2004.
M. P. Allen, D. J. Tildesley, Computer Simulation of Liquids, 2nd ed., Oxford University Press, New York, 1989.
W. F. Van Gunsteren, P. K. Weiner, A. J. Wilkinson, Kluwer Academic Publishers, Dordrecht, 1997.
T. A. Halgren, J. Am. Chem. Soc. 114, 7827, 1992.
K. T. Tang, J. P. Toennies, Z. Phys. D: At., Mol. Clusters 1, 91, 1986.
A. K. Al-Matar, Ph. D. Thesis, New Mexico State University, Las Cruces, New Mexico, 2002.
J. Bzowski, J. Kestin, E. A. Mason, F. J. Uribe, J. Phys. Chem. Ref. Data 19, 1179, 1990.
J. Kestin, K. Knierim, E. A. Mason, B. Najafi, S. T. Ro, W. A. Wakeham, J. Phys. Chem. Ref. Data, 13, 229, 1984.
T. H. Chung, M. Ajlan, L. L. Lee, K. E. Starling, Ind. Eng. Chem. Res. 1988, 27, 671.
D. Mohammad-Aghaie, M. M. Papari, J. Moghadasi, and B. Haghighi, Bull. Chem. Soc. Jpn. 2008, 81,. 10, 1219.
Richard Anthony McFarlane, University of Alberta, Fall 2007.
WU. Yugong, Z. XuanheE, F. Zhigang, Journal of Electroceramics, 2003, 11, 227–239.
M. M. Papari, S. M. Hosseini, F. Fadaei-Nobandegani, and J. Moghadasi, Korean J. Chem. Eng, 2012.
G. C. Maitland, M. Rigby, E. G. Smith, W. A. Wakeham, Intermolecular Forces: Their Origin and Determination, Clarendon Press, Oxford, U.K., 1981.
K. T. Tang, J. P. Toennies, J. Phys. Chem. B, 102, 7470, 1998.
S. M. Hosseini, Ionics 16, 571–575, 2010.
Y. Song, E. A. Mason, J. Chem. Phys. 91, 7840–7853, 1989.
Y. Song, E. A. Mason, Fluid Phase Equilib. 75 (1992) 105–115.
G. Ihm, Y. Song, E. A. Mason, J. Chem. Phys. 94, 3839–3848, 1991.
L. Maftoon-Azad, H. Eslami, A. Boushehri, Fluid Phase Equilib. 263, 1-5, 2008.