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dc.contributor.authorDe Ridder, David J.
dc.contributor.authorVillacorte, Loreen O.
dc.contributor.authorVerliefde, Arne R. D.
dc.contributor.authorVerberk, Jasper Q J C
dc.contributor.authorHeijman, Bas G J
dc.contributor.authorAmy, Gary L.
dc.contributor.authorVan Dijk, Johannis C.
dc.date.accessioned2015-08-02T09:12:14Z
dc.date.available2015-08-02T09:12:14Z
dc.date.issued2010-05
dc.identifier.issn00431354
dc.identifier.pmid20236679
dc.identifier.doi10.1016/j.watres.2010.02.034
dc.identifier.urihttp://hdl.handle.net/10754/561472
dc.description.abstractSolute hydrophobicity, polarizability, aromaticity and the presence of H-bond donor/acceptor groups have been identified as important solute properties that affect the adsorption on activated carbon. However, the adsorption mechanisms related to these properties occur in parallel, and their respective dominance depends on the solute properties as well as carbon characteristics. In this paper, a model based on multivariate linear regression is described that was developed to predict equilibrium carbon loading on a specific activated carbon (F400) for solutes reflecting a wide range of solute properties. In order to improve prediction accuracy, groups (bins) of solutes with similar solute properties were defined and solute removals were predicted for each bin separately. With these individual linear models, coefficients of determination (R2) values ranging from 0.61 to 0.84 were obtained. With the mechanistic approach used in developing this predictive model, a strong relation with adsorption mechanisms is established, improving the interpretation and, ultimately, acceptance of the model. © 2010 Elsevier Ltd.
dc.description.sponsorshipThis research is based upon work supported by VEWIN, the association of drinking water companies in the Netherlands. Any opinions, findings, conclusions, or recommendations expressed in this publication are those of the authors and do not necessarily reflect the views of the supporting organization.
dc.publisherElsevier BV
dc.subjectActivated carbon
dc.subjectBinning
dc.subjectQSAR
dc.titleModeling equilibrium adsorption of organic micropollutants onto activated carbon
dc.typeArticle
dc.contributor.departmentBiological and Environmental Sciences and Engineering (BESE) Division
dc.contributor.departmentEnvironmental Science and Engineering Program
dc.contributor.departmentWater Desalination and Reuse Research Center (WDRC)
dc.identifier.journalWater Research
dc.contributor.institutionDelft University of Technology, P.O. Box 5048, 2600 GA Delft, Netherlands
dc.contributor.institutionUnesco-IHE, P.O. Box 3015, 2601 DA Delft, Netherlands
dc.contributor.institutionUniversity of New South Wales, Sydney, Australia
dc.contributor.institutionKwr Watercycle Research Institute, P.O. Box 1072, 3430 BB, Nieuwegein, Netherlands
kaust.personAmy, Gary L.


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