Prediction of BTEX volatilization in polluted soil based on the sorption potential energy theory

Initial volatile concentration (Cs0) is a crucial parameter for the migration and diffusion of volatile organic pollutants (VOCs) from the soil to the atmosphere. The acquisition of Cs0 is, however, time-consuming and labor-intensive. This study developed a prediction model for Cs0 based on theoretical analysis and experimental simulations. The model was established by correlating the molecular kinetic and sorption potential energy. The pore structure and pore size distribution of the soil were analyzed based on the fractal theory of porous media, followed by calculating the sorption potential energy corresponding to each pore size. It was observed that the pore size distribution of soil influenced BTEX (benzene, toluene, ethylbenzene, and xylene) volatilization by impacting sorption potential energy. The soil parameters, such as organic matter and soil moisture content, and the initial concentration and physical properties of BTEX were coupled to the prediction model to ensure its practicability. Red soil was finally used to verify the accuracy and applicability of the model. The experimental and predicted values' maximum relative and root-mean-square errors were determined to be 24.2% and 11.7%, respectively. The model provides a simple, rapid, and accurate assessment of soil vapor emission content due to BTEX contamination. This study offers an economical and practical method for quantifying the amount of volatile BTEX in contaminated sites, providing a reference for its monitoring, control, and subsequent remediation. [Display omitted] •Sorption potential energy theory is used to predict the Cs0 of BTEX.•Cs0 depends on the soil sorption potential energy.•The soil sorption potential energy was related to the soil pore size distribution.•The accuracy of the Cs0 prediction model is validated, and the RE is