Nanoaggregates of Diverse Asphaltenes by Mass Spectrometry and Molecular Dynamics

	Nanoaggregates of Diverse Asphaltenes by Mass Spectrometry and Molecular Dynamics
	Zare, Richard N.2; Wang, Weiguo 2,5; Taylor, Cooper 3; Hu, Hui 3; Humphries, Kathryn L.1; Jaini, Arjun 3; Kitimet, Michael 3; Scott, Thais 3; Stewart, Zach 3; Ulep, Kevin John 3
刊名	ENERGY & FUELS
	2017-09-01
卷号	31 期号:9 页码:9140-9151
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.
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
收录类别	SCI
语种	英语
WOS记录号	WOS:000411771200031
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/150084]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
作者单位	1.Truman State Univ, Dept Chem, Kirksville, MO 63501 USA 2.Stanford Univ, Dept Chem, Stanford, CA 94305 USA 3.Univ Richmond, Gottwald Ctr Sci, Dept Chem, Richmond, VA 23173 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
推荐引用方式 GB/T 7714	Zare, Richard N.,Wang, Weiguo,Taylor, Cooper,et al. Nanoaggregates of Diverse Asphaltenes by Mass Spectrometry and Molecular Dynamics[J]. ENERGY & FUELS,2017,31(9):9140-9151.
APA	Zare, Richard N..,Wang, Weiguo.,Taylor, Cooper.,Hu, Hui.,Humphries, Kathryn L..,...&Mullins, Oliver C..(2017).Nanoaggregates of Diverse Asphaltenes by Mass Spectrometry and Molecular Dynamics.ENERGY & FUELS,31(9),9140-9151.
MLA	Zare, Richard N.,et al."Nanoaggregates of Diverse Asphaltenes by Mass Spectrometry and Molecular Dynamics".ENERGY & FUELS 31.9(2017):9140-9151.