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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
刊名ENERGY & FUELS
2017-09-01
DOI10.1021/acs.energyfuels.7b01420
31期:9页:9140-9151
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Technology
类目[WOS]Energy & Fuels ; Engineering, Chemical
研究领域[WOS]Energy & Fuels ; Engineering
关键词[WOS]FLUORESCENCE CORRELATION SPECTROSCOPY ; NUCLEAR-MAGNETIC-RESONANCE ; EQUATION-OF-STATE ; PETROLEUM ASPHALTENES ; OIL-RESERVOIRS ; COAL-LIQUEFACTION ; MODEL COMPOUNDS ; FORCE-FIELD ; DISTRIBUTIONS ; DIFFUSIVITY
英文摘要Asphaltene 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.
语种英语
WOS记录号WOS:000411771200031
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被引频次:10[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/150084
专题中国科学院大连化学物理研究所
作者单位1.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
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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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