Supplementary Software S1: Three-dimensional model of coupled heat and moisture transfer, grain respiration and insect population dynamics in aerated wheat storage

Abstract

Python/NumPy/SciPy implementation of the three-dimensional cell-centred finite-volume model described in the article "Three-Dimensional Modelling of Coupled Heat and Moisture Transfer, Grain Respiration and Insect Population Dynamics in Aerated Wheat Storage: Continuous versus Controlled Aeration" (Kurbonov, Shadmanov, Adizova; submitted to Agriculture, MDPI). The model couples grain temperature, dry-basis grain moisture, interstitial-air humidity, Sitophilus oryzae population density and forced Darcy airflow in a wheat bin. It uses the modified-Henderson sorption isotherm for wheat with an isotherm-consistent heat of sorption, the White et al. (1982) wheat respiration correlation (heat release and dry-matter loss), a Shedd-type airflow-resistance relation (fan pressure, fan heating and fan energy), a condensation sub-step that keeps RH <= 1, and continuous or controlled (thermostat plus humidistat) aeration under a diurnal ambient cycle. Contents: solver (grainsim/), configuration (config/default.json), verification (closed-box conservation, analytical diffusion, Ogata-Banks advective front, Darcy), scenario runs, airflow study, temporal/spatial refinement with Grid Convergence Index, Morris sensitivity analysis, figure scripts, unit tests (pytest) and all numerical results reported in the article. Version 3 changes: dry-basis moisture, porosity in the air balance, published wheat closures, saturation constraint, coupled implicit humidity-exchange solver, TVD temperature advection, controlled aeration and fan energy, GCI and Morris analyses. No experimental dataset is used. Usage: pip install -r requirements.txt; python run_all.py; python -m pytest -q