Numerical simulation of water and alcane vapor precondensation processes

The paper is devoted to description of nucleation process (initial stage of condensation) on the basis of quantum-chemical calculations of structure and energetics of small molecular clusters. The knowledge of the structure and energetics of small clusters has allowed deriving the asymptotic expressions for the product of principal moments of inertia, dissociation energy and characteristics of intermolecular vibrational energy for larger clusters. Equilibrium constants, cluster formation and dissociation rate constants are found on the basis of obtained asymptotic expressions. The set of kinetic equations of cluster formation were solved together with the equations of gas dynamics describing alcane flow in a channel and wet air wake flow behind an airplane.