Technogenic contamination of soils and vegetation by radionuclides, heavy metals, pesticides, and other ecotoxicants requires reliable tools for assessing pollutant redistribution and forecasting environmental risks. This study examines mathematical modeling approaches for describing ecotoxicant behavior in soil–plant systems and identifies the principal processes that should be incorporated into simulation algorithms, including vertical and lateral migration, transformation between physicochemical forms, fixation in soil, root uptake, biological redistribution, degradation, and removal from the system. Existing mathematical models of pollutant migration and bioavailability are analyzed to define general principles for model development and parameterization. Particular attention is given to low-parameter modeling as an approach suitable for situations where complete experimental datasets are unavailable. Based on the previously developed VERT_MIG and 3Dmig_mod_aut algorithms, the 3Dsoil_plants algorithm is proposed for simulating the spatiotemporal dynamics of ecotoxicants in soil–plant systems. The model represents soil as interconnected spatial cells and accounts for both vertical and horizontal pollutant transfer, as well as interactions with vegetation. Models based on this algorithm were implemented in the cross-platform QB64 environment, enabling their use as standalone software under Windows, Linux, and macOS. The proposed approach provides a flexible framework for forecasting ecotoxicant redistribution under spatially heterogeneous contamination conditions.
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