Full Description

The objectives of this research were to identify a set of molecular descriptors that define theaffinity of organic contaminants for activated carbon, and to incorporate the resultingquantitative structure-property relationship (QSPR) into the Polanyi-Dubinin-Manes (PDM)model to predict single-solute adsorption isotherms for emerging contaminants(pharmaceutically active compounds, endocrine disrupting compounds, chemical warfare agents,fluorotelomer alcohols, and brominated flame retardants). The Polanyi-Dubinin-Manes (PDM) model served as the basis for adsorption isothermpredictions. Materials and methods included:adsorption isotherm data; adsorbents and characterization; reference curve; affinity coefficients of water; composite water/contaminant affinity coefficients; affinity coefficients of organic compounds; and, poly-parameter QSPR development. Includes 23 references, tables, figures.

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Edition: Vol. - No. Published: 06/01/2006 Number of Pages: 13File Size: 1 file , 310 KB