Application of Monte Carlo method in environmental chemistry
Abstract
The article discusses the possibilities of simulations using the Monte Carlo method for predicting the effects of salvo emissions of pollutants, their spread and degradation in the environment. The historical evolution of this class of modeling methods has been reviewed. Limit cases of diffusion, drift and chemical degradation of the pollutant, as well as all their combinations, are considered. The results of the Monte Carlo model calculations are compared with the results of numerical integration of the differential equation for pollutant spreading under identical conditions. The full adequacy of the simulation model is shown and its advantages associated with the stability of the solution and less machine time are demonstrated. The basic knacks for implementing the model in the VBA-Excel environment are described. The possibilities of the developed software tools for applying the Monte Carlo method to solve problems of spatiotemporal dynamics of pollution spot in natural conditions have been demonstrated. Effective methods for obtaining kinetic curves of pollutant concentration for selected square on terrain and constructing contamination profiles for specified time point have been analyzed and formulated. The required parameters of the model have been evaluated to obtain qualitative kinetic curves and recommendations for their optimization are given.
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Copyright (c) 2020 Sergey O. Travin , Alexander V. Roshchin, and Gheorghe G. Duca
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