Journal
ENERGY & FUELS
Volume 31, Issue 9, Pages 9140-9151Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.energyfuels.7b01420
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Funding
- Chinese Academy of Science
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [1213271, 1662030] Funding Source: National Science Foundation
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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.
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