논문 해외 국제전문학술지(SCI급) Modeling sorption of neutral organic compound mixtures to simulated aquifer sorbents with pseudocompounds
- 학술지 구분 국제전문학술지(SCI급)
- 게재년월 2013-05
- 저자명 Jin Chul Joo, Charles D Shackelford, Kenneth F Reardon
- 학술지명 Journal of environmental quality
- 발행처명 The American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.
- 발행국가 해외
- 논문언어 외국어
- 연구분야 공학 > 환경공학
- 원문 링크 10.2134/jeq2013.01.0025
홈페이지논문 초록 (Abstract)
The feasibility of the ideal adsorbed solution theory (IAST) in reducing the complexity associated with predicting the sorption behaviors of 12 neutral organic compounds (NOCs) contained in complex mixtures as a fewer number (four to six) of pseudocompounds (groups of compounds) to simulated aquifer sorbents was investigated. All sorption isotherms from individual- and multiple-pseudocompound systems were fit reasonably well (r2 ≥ 0.953) by the Freundlich sorption model over the range of aqueous concentrations evaluated (i.e., ≤200 μmol L−1). The presence and magnitude of mutual competition among pseudocompounds varied depending on the composition of the mixtures (i.e., concentrations and polarities of pseudocompounds) and the properties of sorbents (i.e., the fraction of organic carbon and the availability of hydrophilic specific sorption sites). Finally, comparisons between the IAST-based predictions with individual-pseudocompound sorption parameters and experimentally measured data revealed that the accuracy in predicting the sorption behaviors of several NOCs in terms of a fewer number of pseudocompounds decreased with increasing deviations from the assumption of equal and ideal competition in the IAST (i.e., differential availability of sorption sites and nonideal competitions among pseudocompounds).