Aggregation behavior of various component in crude oil for insight of aquathermolysis technology application

被引：0
作者：
Pan, Yiqi [1 ]
Chen, Yu [1 ]
Li, Jianshan [3 ]
Yang, Li'an [3 ]
Li, Jiaxu [2 ]
Yang, Zihao [1 ]
机构：
[1] China Univ Petr, Unconvent Petr Res Inst, Beijing 102249, Peoples R China
[2] Xiamen Univ, Coll Ocean & Earth Sci, State Key Lab Marine Environm Sci, Xiamen 361005, Fujian, Peoples R China
[3] CNPC, Oil & Gas Technol Res Inst, Changqing Oilfield Branch, Xian 710000, Peoples R China
来源：
CHEMICAL ENGINEERING SCIENCE | 2025年 / 310卷
关键词：
Heavy oil; Aquathermolysis technology; Molecular dynamics; Density functional theory; Aggregation behavior; Heavy component; HIGH-TEMPERATURE HYDROLYSIS; HEAVY PETROLEUM RESIDUE; CATALYTIC AQUATHERMOLYSIS; MOLECULAR-DYNAMICS; ASPHALTENE; TETRAHYDROTHIOPHENE; CHEMISTRY; SANDS; NANOCATALYSTS; NANOPARTICLES;
D O I：
10.1016/j.ces.2025.121538
中图分类号：
TQ [化学工业];
学科分类号：
0817 ;
摘要：
Aquathermolysis is a promising technology for enhancing heavy oil recovery by breaking heavy component into smaller molecules and reducing its viscosity. To gain deeper insights into the application of aquathermolysis technology, seven crude oil models with different viscosities were established through molecular dynamics (MD) simulations, in this paper. The noncovalent weak intermolecular interactions related to viscosity among different components were computed using density functional theory (DFT). Then, the contribution of different types of complexes to total intermolecular interactions was investigated. It is found that total noncovalent weak intermolecular interactions are mainly caused by the strong it-it interactions on the aromatic skeletons of aromatics, resins and asphaltenes. For the aquathermolysis reaction, there is still large interaction energy of asphalteneasphaltene complexes. Therefore, this technology is recommended for initial application in high viscosity oils characterized by excessive resin content and low asphaltene content.
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页数：12
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