Li Lei, Quinlivan Patricia A, Knappe Detlef R U
Department of Civil, Construction, and Environmental Engineering, North Carolina State University, Raleigh, North Carolina 27695-7908, USA.
Environ Sci Technol. 2005 May 1;39(9):3393-400. doi: 10.1021/es048816d.
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.
提出了一种基于波拉尼-杜比宁-马内斯（PDM）模型的方法来预测水相有机污染物在活性炭上的吸附等温线。假定从水溶液中吸附痕量有机化合物主要受非特异性分散相互作用控制，而水的吸附则受与活性炭表面含氧官能团的特异性相互作用控制。描述水对活性炭表面亲和力的系数是从用12种特性良好的活性炭收集的水相甲基叔丁基醚（MTBE）和三氯乙烯（TCE）吸附等温线数据中得出的。在所研究的吸附剂的氧含量范围内（约0.8 - 10 mmol O/g无灰干活性炭），获得了水亲和力系数与吸附剂氧含量之间的线性关系。将根据所建立的关系计算出的水亲和力系数纳入PDM模型，得到的等温线预测结果与未用于校准该模型的三种吸附剂和两种吸附质[四氯乙烯（PCE）、顺式1,2 - 二氯乙烯（DCE）]的实验数据吻合良好。
