Calibrant Free Sampling and Enrichment with Solid-Phase Microextraction: Computational Simulation and Experimental Verification

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dc.contributor.authorAlam, Md. Nazmul
dc.contributor.authorRicardez-Sandoval, Luis
dc.contributor.authorPawliszyn, Janusz
dc.date.accessioned2017-10-16T13:37:31Z
dc.date.available2017-10-16T13:37:31Z
dc.date.issued2017-04-05
dc.descriptionThis document is the Accepted Manuscript version of a Published Work that appeared in final form in Industrial & Engineering Chemistry Research, copyright © American Chemical Society after peer review and technical editing by publisher. To access the final edited and published work see http://dx.doi.org/10.1021/acs.iecr.7b00131en
dc.description.abstractDespite the benefits of diffusion-based calibrant-free sampling based on solid-phase microextraction (SPME), this quantification approach is often underestimated due to an inadequate understanding of how extraction parameters influence the extracted amount and quantification of analytes. Currently, application of this approach for complex samples with binding matrix components is very limited. This study presents the development of a computational model that is used to identify the critical parameters for the diffusion-based sampling. Simulations are conducted under simultaneous variations in Mass transfer and adsorptive surface binding constants and the presence of a binding matrix component in the sample. The simulation results correlate well with previously reported experimental data and improve the predictions when compared to previously introduced semiempirical models. This work enhanced basic understanding of physical processes involved in analyte quantification with SPME, which is of benefit when performing experimental designs, particularly where traditional calibration methods are not suitable.en
dc.description.sponsorshipNatural Sciences and Engineering Research Council of Canada-Industrial Research Chairs Grants (NSERC-IRC)en
dc.description.sponsorshipOntario Research Funding (ORF)en
dc.identifier.urihttp://dx.doi.org/10.1021/acs.iecr.7b00131
dc.identifier.urihttp://hdl.handle.net/10012/12546
dc.language.isoenen
dc.publisherAmerican Chemical Societyen
dc.subjectOrganic-Compoundsen
dc.subjectTimeen
dc.subjectExtractionen
dc.subjectDiffusionen
dc.subjectSorptionen
dc.subjectFibersen
dc.subjectValidationen
dc.subjectAdsorptionen
dc.subjectPollutantsen
dc.subjectSpeciationen
dc.titleCalibrant Free Sampling and Enrichment with Solid-Phase Microextraction: Computational Simulation and Experimental Verificationen
dc.typeArticleen
dcterms.bibliographicCitationAlam, M. N., Ricardez-Sandoval, L., & Pawliszyn, J. (2017). Calibrant Free Sampling and Enrichment with Solid-Phase Microextraction: Computational Simulation and Experimental Verification. Industrial & Engineering Chemistry Research, 56(13), 3679–3686. https://doi.org/10.1021/acs.iecr.7b00131en
uws.contributor.affiliation1Faculty of Scienceen
uws.contributor.affiliation2Chemistryen
uws.peerReviewStatusRevieweden
uws.scholarLevelFacultyen
uws.typeOfResourceTexten

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