Preferential Solvation in Binary Liquid Mixtures with Norbornadiene

Abstract

Norbornadiene has been found useful in organic and polymer synthesis and recently its mixtures have been found useful in solar energy storage. Structure factors S(0) help to identify structure and binding at microscopic level and also play a significant role in understanding and characterizing exchanges in liquid systems. Preferential solvation Parameter δij provides information about deviation from ideal behavior for the solvent. In this work structure factors S(0) and preferential solvation Parameter δij were evaluated of binary Liquid Mixtures of Norbornadiene with Benzene, Cyclohexane, Decane, and Carbon Tetrachloride using Kirkwood Buff formalism. For the said binary mixtures experimental data pertaining to the calculations were taken from literature. Obtained results indicate that molecules which tend to form dipole interactions or hydrogen bonds form favorable interactions as seen in Norbornadiene + carbon tetrachloride where the small molecule of CCl4 is not sterically hindered to approach the polar Norbornadiene molecule. Long chain and ring structure of carbon have a negative influence on hetero interactions. Studying these parameters will develop predictive techniques to determine the right composition for optimum performance of the liquid mixture.