Density Functional Theory and Machine Learning-Based Quantitative Structure-Activity Relationship Models Enabling Prediction of Contaminant Degradation Performance with Heterogeneous Peroxymonosulfate Treatments.
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DOI: 10.1021/acs.est.2c09034
Abstract: Heterogeneous peroxymonosulfate (PMS) treatment is recognized as an effective advanced oxidation process (AOP) for the treatment of organic contaminants. Quantitative structure-activity relationship (QSAR) models have been applied to predict the oxidation reaction rates of contaminants… read more here.
Keywords: pms treatment; heterogeneous peroxymonosulfate; degradation performance; degradation ... See more keywords