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dc.contributor.authorJjunju, Fred Paul Mark
dc.contributor.authorBadu-Tawiah, Abraham K.
dc.contributor.authorLi, Anyin
dc.contributor.authorSoparawalla, Santosh
dc.contributor.authorRoqan, Iman S.
dc.contributor.authorCooks, Robert Graham
dc.date.accessioned2015-08-03T11:12:57Z
dc.date.available2015-08-03T11:12:57Z
dc.date.issued2013-07
dc.identifier.issn13873806
dc.identifier.doi10.1016/j.ijms.2012.08.030
dc.identifier.urihttp://hdl.handle.net/10754/562856
dc.description.abstractCharacterization of the various petroleum constituents (hydronaphthalenes, thiophenes, alkyl substituted benzenes, pyridines, fluorenes, and polycyclic aromatic hydrocarbons) was achieved under ambient conditions without sample preparation by desorption atmospheric pressure chemical ionization (DAPCI). Conditions were chosen for the DAPCI experiments to control whether ionization was by proton or electron transfer. The protonated molecule [M+H]+ and the hydride abstracted [MH]+ form were observed when using an inert gas, typically nitrogen, to direct a lightly ionized plasma generated by corona discharge onto the sample surface in air. The abundant water cluster ions generated in this experiment react with condensed-phase functionalized hydrocarbon model compounds and their mixtures at or near the sample surface. On the other hand, when naphthalene was doped into the DAPCI gas stream, its radical cation served as a charge exchange reagent, yielding molecular radical cations (M+) of the hydrocarbons. This mode of sample ionization provided mass spectra with better signal/noise ratios and without unwanted side-products. It also extended the applicability of DAPCI to petroleum constituents which could not be analyzed through proton transfer (e.g., higher molecular PAHs such as chrysene). The thermochemistry governing the individual ionization processes is discussed and a desorption/ionization mechanism is inferred. © 2012 Elsevier B.V.
dc.description.sponsorshipThe authors acknowledge funding for this work by the National Science Foundation (CHE NSF 0848650) and the Fellowship from King Abdullah University Of Science and Technology (KAUST) Thuwal Saudi Arabia.
dc.publisherElsevier BV
dc.subjectAmbient ionization mass spectrometry
dc.subjectCharge exchange
dc.subjectFuels
dc.subjectIon-molecule reactions
dc.subjectPetroleum constituents
dc.subjectPolynuclear aromatics
dc.titleHydrocarbon analysis using desorption atmospheric pressure chemical ionization
dc.typeArticle
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Division
dc.contributor.departmentMaterials Science and Engineering Program
dc.contributor.departmentSemiconductor and Material Spectroscopy (SMS) Laboratory
dc.identifier.journalInternational Journal of Mass Spectrometry
dc.contributor.institutionDepartment of Chemistry, Purdue University, 560 Oval Drive, West Lafayette, IN 47906, United States
kaust.personRoqan, Iman S.
kaust.personJjunju, Fred Paul Mark


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