Fluid Phase Equilibria, Vol.145, No.2, 217-224, 1998
A completely normalized quasi-chemical theory
A new normalization displacement function is introduced in the maximum term of the canonical partition function of the quasi-chemical theory to provide with a transition between the normalization for total disorder and the normalization for total order. The new displacement function combines Wang's normalization factor for total order with the normalization factor introduced by Guggenheim for total disorder, i.e., the partition function of the unperturbed system and the combinatorial term for the number of random contacts of the segments in the mixture. As the new function uses only previously proposed terms, there is very minor new algebra required. The possibility of using different normalization functions is discussed.
Keywords:LIQUID-MIXTURES;LOCAL COMPOSITION;STATISTICAL THERMODYNAMICS;MODEL;SYSTEMS;EXPRESSION;NONRANDOM;ENERGY