Key words: supercritical conditions, сверхкритические условия, imperfect reaction systems, theory of absolute reaction rates, lattice-gas model
The review of the works devoted to modeling of the processes and physical — chemical properties is given. Specificity SCF and their role in technologies is discussed. The list of nonequilibrium and equilibrium processes in which methods of mathematical modeling have been involved is resulted. Nonequilibrium processes are grouped as the equation of chemical kinetics, hydrodynamic models and the diffusion equations,and also the description of distributions nanoparticles and phenomenological models. Equilibrium models cover an existing spectrum of treatments of experimental data from thermodynamic to the microscopic models providing the account of nonideal reactionary systems, and also with attraction of a method of molecular dynamics and energy calculations methods of quantum chemistry. The greatest attention in works is given to the equations of states for SCF and their modeling at the molecular level taking into account a presence of multicomponent mixes and specificity of interaction of components, including them asymmetry. As a whole, two areas of appendices of the equations of states concerning extensive area of thermodynamic parameters in a wide range of change of pressure and temperatures out of area of rarefied gas, and, actually, nearby-critical area are allocated. Real processes are realised out of nearby-critical area in which they are braked, in systems with the raised density of components. For modelling of processes in SCF the common approach providing self-agreement descriptions of equilibrium and kinetics of studied processes on the basis of the molecular description by means of the lattice-gas model is offered.
doi:10.34984/SCFTP.2023.18.2.002