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KMID : 1059520070510040312
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Journal of the Korean Chemical Society
2007 Volume.51 No. 4 p.312 ~ p.317
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Study of Excess Gibbs Energy for a Lattice Solution by Random Number Simulation
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Jung Hae-Young
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Abstract
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Performing random number simulations, we approximated that the distribution of the number of ways for arranging molecules randomly on a lattice is a normal distributon for N12, the number of interactions between the nearest neighbors of different molecules. From this distribution, an approximate equation of the excess Gibbs energy GE for a lattice solution of nonrandom mixing was derived. Using the equation, liquid-vapor equilibria of several binary solutions were calculated and compared with the calculated result of other equations.
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KEYWORD
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Nonrandom Mixing, Excess Gibbs Energy, Lattice
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