Parallel modeling and optimization of the process of cleavage of enantiomers

Abstract

The work is devoted to parallel modeling and optimization of dynamic processes described by evolutionary equations in partial derivatives. A model and a system of constraints are proposed, which made it possible to study the simultaneous crystallization of both types of substances, which significantly accelerated the simulation of the splitting processes. The problems of reducing the solution of partial differential evolution equations to systems of ordinary differential equations with discretization in spatial variables are considered. To solve the obtained Cauchy problem, multi-point collocation block difference schemes are proposed that are oriented to an effective parallel implementation and allow providing control over the integration step. Applied implementation of the developed algorithms was carried out on the developed and substantiated models of the distribution of enantiomers in accordance with the physical meaning of the processes and experimentally obtained results. Tabl.: 1. Figs.: 7. Refs.: 12 titles.Keywords: parallel modeling; optimization; splitting of enantiomers; step control; evolution equations; difference schemes.