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题名: Nanoaggregates of Diverse Asphaltenes by Mass Spectrometry and Molecular Dynamics
作者: 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
发表日期: 2017-09-01
DOI: 10.1021/acs.energyfuels.7b01420
卷: 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
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.
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
语种: 英语
WOS记录号: WOS:000411771200031
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/150184
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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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

Recommended Citation:
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.
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