| Abstrakt: |
The studies on the modeling of processes and physicochemical properties of fluid systems in the near- and supercritical regions of state parameters are reviewed. The specifics of supercritical fluids (SCFs) and their role in various technological processes are discussed. The nonequilibrium and equilibrium processes for which mathematical modeling methods were used are listed. The nonequilibrium processes are grouped as equations of chemical kinetics, hydrodynamic models, and diffusion equations, and also as descriptions of nanoparticle distributions and phenomenological models. The equilibrium models cover the existing spectrum of experimental data interpretations from thermodynamic to microscopic models, which allow for nonideal reaction systems, including those using the molecular dynamics method and quantum-chemical calculations of energy. The reviewed studies mainly concentrated on the equations of state of SCFs and their modeling at the molecular level, reflecting the multicomponent character of mixtures and specifics of interactions of components including their asymmetry. In general, two fields of application of the equations of state can be revealed: the one related to the wide range of thermodynamic parameters within a wide range of pressures and temperatures outside the rarefied gas region and the one related to the near-critical region itself. Real processes occur outside the near-critical region and are retarded within this region in systems with increased density of components. For modeling the processes in SCFs, a single approach is suggested, which provides self-consistent treatment of process equilibrium and kinetics based on a molecular description using the lattice gas model. [ABSTRACT FROM AUTHOR] |
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