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Contaminant uptake by polymeric passive samplers: A modeling study with experimental validation

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Show simple item record Jooshani, Shaghayegh Khansary, Milad Asgarpour Marjani, Azam Shirazian, Saeed 2018-02-27T11:58:14Z 2018
dc.description peer-reviewed en_US
dc.description.abstract Accurate determination of contaminant partitioning in polymeric passive samplers (PPSs) is of great interest, especially for planning monitoring programs in environmental investigations. In this study, a predictive partition coefficient model is developed which only requires the chemical structures of polymer in PPSs and contaminant as input. As such, a kinetic model is developed to account for time evolution of the contaminant uptake. To analyze the performance of the developed model, experimental data were collected from literature to validate against the model. The accumulative absolute relative deviation (AARD (%)) was used in order to evaluate the goodness of predictions. Comparing the measured and calculated partition coefficients indicated an overall prediction error of 5.17%. The developed model can provide valuable information regarding polymers selection for PPSs fabrication and the time evolution of uptake process. en_US
dc.language.iso eng en_US
dc.publisher Elsevier en_US
dc.relation.ispartofseries Chemical Engineering Research and Design;129, pp. 231-236
dc.rights This is the author’s version of a work that was accepted for publication in Chemica Engineering Research and Design. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Chemical Engineering Research and Design, 2018, 129, pp. 231-236, en_US
dc.subject polymeric samplers en_US
dc.subject contaminant uptake en_US
dc.subject partition coefficient en_US
dc.subject predictive modeling en_US
dc.subject Kinetic description en_US
dc.title Contaminant uptake by polymeric passive samplers: A modeling study with experimental validation en_US
dc.type info:eu-repo/semantics/article en_US
dc.type.supercollection all_ul_research en_US
dc.type.supercollection ul_published_reviewed en_US
dc.identifier.doi 10.1016/j.cherd.2017.11.019 2019-11-21
dc.embargo.terms 2019-11-21 en_US
dc.rights.accessrights info:eu-repo/semantics/openAccess en_US

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