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9 SOLUTION PROPERTIES OF MIXTURES AT INFINITE DILUTION It has been one of the important subjects in supercritical research to understand how the solvent influences chemical reactions. There have been many experiments to investigate the solvent effects on the chemical reactions. Numerous phenomenological data are available on examining the solution effect on reacting solutes, but no universal theory exists to interpret them. The experimental approaches are undoubtedly a powerful tool for the investigation of the solvent effects on chemical reactions, but a strong theory needs to be established to expand the use of supercritical carbon dioxide in industry. In this chapter, we look deeply into the solvent effect on the solute. The goal of this work is to establish a relation between the degree of aggregation or cavitation and thermodynamic properties, such as diffusivity, heat capacity and partial molar volumes of the solute. Once more, the Kirkwood and Buff fluctuation theory, which is describing non-ideal solutions including supercritical solutions, is used to evaluate the micro-environment of the solutions. The objective is to examine the tendency of the solvent to form clusters or cavitations across different kind of solutes regarding the pressure dependence along a critical isotherm. 130PDF Image | MOLECULAR SIMULATION STUDIES IN THE SUPERCRITICAL REGION
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