DICP OpenIR
Nanoaggregates of Diverse Asphaltenes by Mass Spectrometry and Molecular Dynamics
Wang, Weiguo1,5; Taylor, Cooper2; Hu, Hui2; Humphries, Kathryn L.3; Jaini, Arjun2; Kitimet, Michael2; Scott, Thais2; Stewart, Zach2; Ulep, Kevin John2; Houck, Shannon2; Luxon, Adam2; Zhang, Boyi2; Miller, Bill3; Parish, Carol A.2; Pomerantz, Andrew E.4; Mullins, Oliver C.4; Zare, Richard N.1
Source PublicationENERGY & FUELS
2017-09-01
DOI10.1021/acs.energyfuels.7b01420
Volume31Issue:9Pages:9140-9151
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Technology
WOS SubjectEnergy & Fuels ; Engineering, Chemical
WOS Research AreaEnergy & Fuels ; Engineering
WOS KeywordFLUORESCENCE CORRELATION SPECTROSCOPY ; NUCLEAR-MAGNETIC-RESONANCE ; EQUATION-OF-STATE ; PETROLEUM ASPHALTENES ; OIL-RESERVOIRS ; COAL-LIQUEFACTION ; MODEL COMPOUNDS ; FORCE-FIELD ; DISTRIBUTIONS ; DIFFUSIVITY
AbstractAsphaltene nanoaggregates from three diverse source materials-coal-derived asphaltenes dominated by aromatic carbon, petroleum asphaltenes with comparable abundances of aromatic and aliphatic carbon, and immature source-rock asphaltenes dominated by aliphatic carbon-are examined by means of surface-assisted laser desorption ionization mass spectrometry (SALDI-MS) coupled with laser desorption laser ionization mass spectrometry ((LMS)-M-2). All three types of asphaltenes form nanoaggregates with aggregation numbers close to 7. Molecular dynamics calculations for proposed island molecular structures show the important roles that pi-stacking and alkane steric hindrance play in nanoaggregate formation and structure. These results are discussed in terms of entropy and enthalpy changes. All results are consistent with the Yen-Mullins model, which bodes well for its expanded use in oilfield reservoir evaluations.
Language英语
WOS IDWOS:000411771200031
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/150084
Collection中国科学院大连化学物理研究所
Affiliation1.Stanford Univ, Dept Chem, Stanford, CA 94305 USA
2.Univ Richmond, Gottwald Ctr Sci, Dept Chem, Richmond, VA 23173 USA
3.Truman State Univ, Dept Chem, Kirksville, MO 63501 USA
4.Schlumberger Doll Res Ctr, Cambridge, MA 02139 USA
5.Chinese Acad Sci, Dalian Inst Chem Phys, Key Lab Separat Sci Analyt Chem, Dalian 116023, Peoples R China
Recommended Citation
GB/T 7714
Wang, Weiguo,Taylor, Cooper,Hu, Hui,et al. Nanoaggregates of Diverse Asphaltenes by Mass Spectrometry and Molecular Dynamics[J]. ENERGY & FUELS,2017,31(9):9140-9151.
APA Wang, Weiguo.,Taylor, Cooper.,Hu, Hui.,Humphries, Kathryn L..,Jaini, Arjun.,...&Zare, Richard N..(2017).Nanoaggregates of Diverse Asphaltenes by Mass Spectrometry and Molecular Dynamics.ENERGY & FUELS,31(9),9140-9151.
MLA Wang, Weiguo,et al."Nanoaggregates of Diverse Asphaltenes by Mass Spectrometry and Molecular Dynamics".ENERGY & FUELS 31.9(2017):9140-9151.
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