Chemical Safety Science, 2018, Volume 2, Issue 1, p. 22 — 49

 

Simulation of chemically hazardous processes

 

UDC 51-7:502.52                                                                   Download PDF (Rus)                                                             

DOI: 10.25514/CHS.2018.1.12881

 

MODERN METHODS OF MATHEMATICAL MODELING OF ENVIRONMENTAL CHEMICAL AND BIOLOGICAL PROCESSES

S. O. Travin

Semenov Institute of Chemical Physics, Russian Academy of Sciences, Moscow, Russia

Received March 19, 2018 

Published June 25, 2018

Abstract – The role and significance of a numerical experiment in studying ecochemical systems are considered. The reasons are analyzed why most of the information on dynamics of interactions of natural ecosystem components cannot be obtained only by in situ measurements (in vitro), which determines the dominant role of mathematical models and conducting numerical experiments (in silico). The main differences between natural ecosystems and chemical reactions in laboratory and industrial conditions are formulated. The particular focus is placed upon the possibility of self-organization of matter and establishing truly non-stationary cyclic oscillatory regimes in open ecological systems.

Keywords: quantitative ecology, mathematical modeling, dynamical systems, limit cycle, Lorenz attractor.