Comparing crude oils with different API gravities on a molecular level using mass spectrometric analysis. Part 1: Whole crude oil

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dc.contributor.authorSantos J.M.
dc.contributor.authorWisniewski A.
dc.contributor.authorEberlin M.N.
dc.contributor.authorSchrader W.
dc.date.accessioned2024-03-12T23:56:44Z
dc.date.available2024-03-12T23:56:44Z
dc.date.issued2018
dc.description.abstract© 2018 by the authors.Different ionization techniques based on different principles have been applied for the direct mass spectrometric (MS) analysis of crude oils providing composition profiles. Such profiles have been used to infer a number of crude oil properties. We have tested the ability of two major atmospheric pressure ionization techniques, electrospray ionization (ESI(±)) and atmospheric pressure photoionization (APPI(+)), in conjunction with Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). The ultrahigh resolution and accuracy measurements of FT-ICR MS allow for the correlation of mass spectrometric (MS) data with crude oil American Petroleum Institute (API) gravities, which is a major quality parameter used to guide crude oil refining, and represents a value of the density of a crude oil. The double bond equivalent (DBE) distribution as a function of the classes of constituents, as well as the carbon numbers as measured by the carbon number distributions, were examined to correlate the API gravities of heavy, medium, and light crude oils with molecular FT-ICR MS data. An aromaticity tendency was found to directly correlate the FT-ICR MS data with API gravities, regardless of the ionization technique used. This means that an analysis on the molecular level can explain the differences between a heavy and a light crude oil on the basis of the aromaticity of the compounds in different classes. This tendency of FT-ICR MS with all three techniques, namely, ESI(+), ESI(..), and APPI(+), indicates that the molecular composition of the constituents of crude oils is directly associated with API gravity.
dc.description.issuenumber10
dc.description.volume11
dc.identifier.doi10.3390/en11102766
dc.identifier.issn1996-1073
dc.identifier.urihttps://dspace.mackenzie.br/handle/10899/35466
dc.relation.ispartofEnergies
dc.rightsAcesso Aberto
dc.subject.otherlanguageAPI gravity
dc.subject.otherlanguageCrude oil
dc.subject.otherlanguageSARA fractions
dc.subject.otherlanguageUltrahigh resolution mass spectrometry
dc.titleComparing crude oils with different API gravities on a molecular level using mass spectrometric analysis. Part 1: Whole crude oil
dc.typeArtigo
local.scopus.citations28
local.scopus.eid2-s2.0-85056105568
local.scopus.subjectAmerican Petroleum Institute
local.scopus.subjectApi gravities
local.scopus.subjectAtmospheric pressure ionization
local.scopus.subjectAtmospheric pressure photo ionization
local.scopus.subjectFourier transform ion cyclotron resonance mass spectrometry
local.scopus.subjectMass spectrometric analysis
local.scopus.subjectSARA fractions
local.scopus.subjectUltrahigh resolution mass spectrometries
local.scopus.updated2024-05-01
local.scopus.urlhttps://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85056105568&origin=inward
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