Nanoaggregates of Diverse Asphaltenes by Mass Spectrometry and Molecular Dynamics

被引:65
作者
Wang, Weiguo [1 ,5 ]
Taylor, Cooper [2 ]
Hu, Hui [2 ]
Humphries, Kathryn L. [3 ]
Jaini, Arjun [2 ]
Kitimet, Michael [2 ]
Scott, Thais [2 ]
Stewart, Zach [2 ]
Ulep, Kevin John [2 ]
Houck, Shannon [2 ]
Luxon, Adam [2 ]
Zhang, Boyi [2 ]
Miller, Bill [3 ]
Parish, Carol A. [2 ]
Pomerantz, Andrew E. [4 ]
Mullins, Oliver C. [4 ]
Zare, Richard N. [1 ]
机构
[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
基金
美国国家科学基金会;
关键词
FLUORESCENCE CORRELATION SPECTROSCOPY; NUCLEAR-MAGNETIC-RESONANCE; EQUATION-OF-STATE; PETROLEUM ASPHALTENES; OIL-RESERVOIRS; COAL-LIQUEFACTION; MODEL COMPOUNDS; FORCE-FIELD; DISTRIBUTIONS; DIFFUSIVITY;
D O I
10.1021/acs.energyfuels.7b01420
中图分类号
TE [石油、天然气工业]; TK [能源与动力工程];
学科分类号
0807 ; 0820 ;
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.
引用
收藏
页码:9140 / 9151
页数:12
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