Highlights This study developed a mathematical relationship accounting for the production rate of phosphine. The effect of temperature on phosphine sorption into wheat is described mathematically. A computational fluid dynamics (CFD) model was built to predict the phosphine concentration in fumigated grain. Experiments were conducted to validate the CFD model. Abstract . Phosphine gas (PH3) is widely used as a fumigant for stored product insect infestations due to its relatively low price and the near absence of residual chemical on the grain. Understanding the behavior of phosphine gas inside the fumigated space is crucial to maintaining a lethal dosage and protecting stored grain from subsequent insect damage. Phosphine is available either in gas form or is produced from a solid material, as pellets or tablets, that reacts with water in the air. The solid form is the most commonly used; however, limited information is available on the rate of phosphine gas generated from the solid material. In this study, a mathematical equation was formulated, based on previous studies in the literature, to describe the gas generation rate. This equation was incorporated into a computational model using ANSYS Fluent 19.1, a commercial software for computational fluid dynamics (CFD) analysis. The computational model developed here allows prediction of the phosphine concentration within a fumigated grain bulk. The PH3 sorption was included in the model. The effect of temperature on the sorption rate was investigated based on published data, and the rate change due to temperature was characterized. The gas generated by a single pellet was measured in laboratory experiments in a 0.208 m3 sealed barrel. The measurements confirmed the CFD results with an error of 0.3%, 0.9%, and 7.2% for three different configurations. The deviations seen between the experimental replicates increased the error and show the need for further investigation of the effects of temperature, grain age and history, leakage, and other factors. Keywords: CFD, Evolution rate, Phosphine, Sorption.
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