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QSPR and q-RASPR predictions of the adsorption capacity of polyethylene, polypropylene and polystyrene microplastics for various organic pollutants in diverse aqueous environments
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Quantitative structure-property relationship (QSPR) and q-RASPR models were developed using experimental adsorption data to predict how organic pollutants adsorb onto polyethylene, polypropylene, and polystyrene microplastics in different aqueous environments. The models provide computational tools to assess microplastic-contaminant interactions without extensive laboratory testing.
In this study, experimental data on the adsorption of organic pollutants onto microplastics in different aqueous environments were used to develop QSPR and q-RASPR models.
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