SIMULATION OF MASS TRANSFER PROCESS IN SYSTEM GAS - NONVOLATILE LIQUID BY THE METHOD OF MOLECULAR DYNAMICS

摘要

we use method of molecular dynamic for simulation of mass transfer through interphase surface. Two-phase system gas - non-volatile liquid was considered. The liquid phase consists monatomic molecules of a non-volatile component and di- and monatomic molecules of a volatile component. The gas phase consists diatomic molecules of a volatile component. For acceleration of computation phase trajectories were determined only for molecules of a volatile component. Coordinates and velocities of non-volatile component molecules were calculated stochastically. This simplification allows calculating systems with more than 10~6 molecules under simulation time about 10~(-8)s.