The role of structure in determining the thermodynamic properties of homogeneous fluid mixtures
Abstract
The radial distribution functions for pairs in a homogeneous fluid mixture are closely approximated from known data on pair distribution functions for pure components evaluated at a mean density determined by a properly defined average of molecular interaction parameters in the mixture. In/sight into the structure of a mixture is gained, thus the term structure is gained, thus meaning a description of the probability of finding a molecule of a given species at a given separation from that of another molecule. The mean density approximation is used to replace the assumption about structure in mixtures inherent in the traditional regular solution theory. The result is a modified regular solution theory which gives an improvement in predicting excess thermodynamic functions and activity coefficients in mixtures involving appreciable differences in molecular size and shape.
 Publication:

Ph.D. Thesis
 Pub Date:
 1979
 Bibcode:
 1979PhDT........18G
 Keywords:

 Liquids;
 Prediction Analysis Techniques;
 Probability Distribution Functions;
 Radial Distribution;
 Thermodynamic Properties;
 Coefficients;
 Intramolecular Structures;
 Molecular Interactions;
 Thermodynamics and Statistical Physics