Vapor-Liquid Equilibrium for Binary Mixtures Containing Acetone

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This Demonstration uses the Wilson model and the modified Raoult law to calculate vapor-liquid equilibria (VLE) for nine binary mixtures containing acetone plus one of the following components: chloroform, methanol, water, ethanol, benzene, n-hexane, ethyl acetate, 2-propanol or 1-hexene. The Wilson interaction parameters and (expressed in ) for each one of the nine binary mixtures are obtained from experimental VLE data (taken from the Dortmund Data Bank [1]) using a minimization procedure.


Particle swarm optimization (PSO) is applied to fit the experimental data to the theoretical thermodynamic model. The PSO technique was developed by Kennedy and Eberhart [2, 3]. PSO algorithms mimic the social behavior patterns of organisms that live and interact within large groups, such as swarms of bees. You can vary the number of iterations as well as the swarm size to change the fitting quality. However, notice the complementary effect of these two parameters. For every binary mixture, the isobaric VLE diagram and the VLE curve (continuous lines) at are generated and compared to the experimental data shown using the filled squares.


Contributed by: Housam Binous, Ahmed Bellagi, Ali Kh. Al-Matar, Nayef M. Alsaifi, and Brian G. Higgins  (November 2014)
Open content licensed under CC BY-NC-SA




[1] Dortmund Data Bank. "Vapor-Liquid Equilibrium Data." (Nov 13, 2014)

[2] J. Kennedy and R. Eberhart, "Particle Swarm Optimization," in Proceedings of the 1995 International Conference on Neural Networks, 4, New York: IEEE Press, 1995 pp. 1942–1948. doi:10.1109/ICNN.1995.488968.

[3] J. Kennedy, R. Eberhart, and Y. Shi, Swarm Intelligence, San Francisco: Morgan Kaufmann, 2001.

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