title: Predicting adsorption isotherms for aqueous organic micropollutants from activated carbon and pollutant properties.
abstract: A method based on the Polanyi-Dubinin-Manes (PDM) model is presented to predict adsorption isotherms of aqueous organic contaminants on activated carbons. It was assumed that trace organic compound adsorption from aqueous solution is primarily controlled by nonspecific dispersive interactions while water adsorption is controlled by specific interactions with oxygen-containing functional groups on the activated carbon surface. Coefficients describing the affinity of water for the activated carbon surface were derived from aqueous-phase methyl tertiary-butyl ether (MTBE) and trichloroethene (TCE) adsorption isotherm data that were collected with 12 well-characterized activated carbons. Over the range of oxygen contents covered by the adsorbents (approximately 0.8-10 mmol O/g dry, ash-free activated carbon), a linear relationship between water affinity coefficients and adsorbent oxygen content was obtained. Incorporating water affinity coefficients calculated from the developed relationship into the PDM model, isotherm predictions resulted that agreed well with experimental data for three adsorbents and two adsorbates [tetrachloroethene (PCE), cis-1,2-dichloroethene (DCE)] that were not used to calibrate the model.
authors.affiliation: Department of Civil, Construction, and Environmental Engineering, North Carolina State University, Raleigh, North Carolina 27695-7908, USA.
authors.forename: Lei
authors.initials: L
authors.lastname: Li
authors.forename: Patricia A
authors.initials: PA
authors.lastname: Quinlivan
authors.forename: Detlef R U
authors.initials: DR
authors.lastname: Knappe
mesh_terms: D000327:Adsorption; D002244:Carbon / Q000737:chemistry*; D002273:Carcinogens / Q000737:chemistry; D005544:Forecasting; D008738:Methyl Ethers / Q000737:chemistry; D008962:Models, Theoretical; D012997:Solvents / Q000737:chemistry; D013696:Temperature; D014241:Trichloroethylene / Q000737:chemistry; D014874:Water Pollutants, Chemical
chemical_list: D002273:Carcinogens; D008738:Methyl Ethers; D012997:Solvents; D014874:Water Pollutants, Chemical; D014241:Trichloroethylene; C043243:methyl tert-butyl ether; D002244:Carbon