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Title: A new molecular thermodynamic model for multicomponent Ising lattice
Authors: Yang, J.
Xin, Q.
Sun, L.
Liu, H.
Hu, Y.
Jiang, J. 
Issue Date: 2006
Citation: Yang, J., Xin, Q., Sun, L., Liu, H., Hu, Y., Jiang, J. (2006). A new molecular thermodynamic model for multicomponent Ising lattice. Journal of Chemical Physics 125 (16) : -. ScholarBank@NUS Repository.
Abstract: A new molecular thermodynamic model is developed for multicomponent Ising lattice based on a generalized nonrandom factor from binary system. Predictions of the nonrandom factor and the internal energy of mixing for ternary and quaternary systems match accurately with simulation results. Predictions of liquid-liquid phase equilibrium for ternary systems are in nearly perfect agreement with simulation results, and substantially improved from Flory-Huggins theory and the lattice-cluster theory. The model also satisfactorily correlates the experimental data of real ternary systems. The concise expression and the accuracy of the new model make it well suited for practical engineering applications. © 2006 American Institute of Physics.
Source Title: Journal of Chemical Physics
ISSN: 00219606
DOI: 10.1063/1.2360946
Appears in Collections:Staff Publications

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