Modeling equilibrium adsorption of organic micropollutants onto activated carbon

Handle URI:
http://hdl.handle.net/10754/561472
Title:
Modeling equilibrium adsorption of organic micropollutants onto activated carbon
Authors:
De Ridder, David J.; Villacorte, Loreen O.; Verliefde, Arne R. D.; Verberk, Jasper Q J C; Heijman, Bas G J; Amy, Gary L.; Van Dijk, Johannis C.
Abstract:
Solute 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.
KAUST Department:
Biological and Environmental Sciences and Engineering (BESE) Division
Publisher:
Elsevier BV
Journal:
Water Research
Issue Date:
May-2010
DOI:
10.1016/j.watres.2010.02.034
PubMed ID:
20236679
Type:
Article
ISSN:
00431354
Sponsors:
This 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.
Appears in Collections:
Articles; Biological and Environmental Sciences and Engineering (BESE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorDe Ridder, David J.en
dc.contributor.authorVillacorte, Loreen O.en
dc.contributor.authorVerliefde, Arne R. D.en
dc.contributor.authorVerberk, Jasper Q J Cen
dc.contributor.authorHeijman, Bas G Jen
dc.contributor.authorAmy, Gary L.en
dc.contributor.authorVan Dijk, Johannis C.en
dc.date.accessioned2015-08-02T09:12:14Zen
dc.date.available2015-08-02T09:12:14Zen
dc.date.issued2010-05en
dc.identifier.issn00431354en
dc.identifier.pmid20236679en
dc.identifier.doi10.1016/j.watres.2010.02.034en
dc.identifier.urihttp://hdl.handle.net/10754/561472en
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.en
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.en
dc.publisherElsevier BVen
dc.subjectActivated carbonen
dc.subjectBinningen
dc.subjectQSARen
dc.titleModeling equilibrium adsorption of organic micropollutants onto activated carbonen
dc.typeArticleen
dc.contributor.departmentBiological and Environmental Sciences and Engineering (BESE) Divisionen
dc.identifier.journalWater Researchen
dc.contributor.institutionDelft University of Technology, P.O. Box 5048, 2600 GA Delft, Netherlandsen
dc.contributor.institutionUnesco-IHE, P.O. Box 3015, 2601 DA Delft, Netherlandsen
dc.contributor.institutionUniversity of New South Wales, Sydney, Australiaen
dc.contributor.institutionKwr Watercycle Research Institute, P.O. Box 1072, 3430 BB, Nieuwegein, Netherlandsen
kaust.authorAmy, Gary L.en
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