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phase, but as density increases the fluid looks like dense fog. It can be concluded the sponge like structure is pronounced at densities close to critical density, which this local structure enhancement can be seen as regions with high and low density in the supercritical fluid. The local structure around a molecule is definitely important factor for its behaviour. At the moment, the lifetime of a configuration, which represents a low or a high density structure around a molecule, is not well studied. We can realize the importance of studying the lifetime of the local structure, when we suppose the molecule is a reacting solute. 8.4 ISOTHERMAL COMPRESSIBILITY Isothermal compressibility is a useful probe of long-range interactions and their effect on the microstructure of a supercritical fluid. The isothermal compressibility expresses the ability of the molecules in a fluid to pack more tightly, and is the macroscopic response of a fluid to an applied pressure. The mathematical relationship between molecular packing and can be written in terms of the radial distribution function according to KB theory. BTT 1 4r2(g(r)1)dr (8.3) 0 where B is the Boltzmann’s constant and v the density of solvent. The above equation was introduced for a system where N may vary (grand canonical ensemble). However Matubayasi and Levy (Matubayasi and Levy, 1996) introduced an alternative formulation of the KB expression in the Canonical ensemble 119PDF Image | MOLECULAR SIMULATION STUDIES IN THE SUPERCRITICAL REGION
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