Monte Carlo Simulations of Water Pollutant Adsorption at Parts-per-Billion Concentration: A Study on 1,4-Dioxane.

1,4-dioxane, an emerging water pollutant with high production volumes, is a probable human carcinogen. The inadequacy of conventional treatment processes demonstrates the need for an effective remediation strategy. Crystalline nanoporous materials are cost-effective adsorbents due to their high capacity and selective separation in mixtures.