期刊
NANOMATERIALS
卷 9, 期 4, 页码 -出版社
MDPI
DOI: 10.3390/nano9040504
关键词
amino acid ionic liquid; carbonate asphalt rock; COSMOtherm; molecular dynamics simulation
类别
资金
- Municipal Natural Science Foundation of Tianjin [18JCQNJC06500]
- National Natural Science Foundation of China [21506155, 41471258]
In this study, a series of choline-based amino acid ionic liquids have been synthesized in an economic method and are used to assist solvents with extracting asphalt from carbonate rocks. All of the ionic liquids perform well in extracting asphalt, especially choline histidine, by which the single-step recovery of asphalt is up to 91%. Furthermore, oil product with higher quality (fewer solids entrained) is also obtained. Molecular dynamics simulation and thermodynamic equilibrium method are applied to investigate the role of amino acid ionic liquids via interaction energy calculation and surface free energy calculations. The simulation results suggest that the ionic liquid phase is beneficial for the transfer of oil fraction from the carbonate surface to the organic solvent phase. Moreover, the results of simulated calculation show that the introduction of a functional group with conjugated structures into ionic liquid, such as an imidazole ring and a benzene ring, is beneficial for enhancing oil recovery, which are in accordance with the results of experimental tests.
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