Revealing the residual mechanism of switchable solvents in heavy oil
文献类型：期刊论文
| 作者 | Yang, Yongli; Sui, Hong; Ma, Jun; He, Lin; Li, Xingang |
| 刊名 | FUEL PROCESSING TECHNOLOGY
 |
| 出版日期 | 2021 |
| 卷号 | 218 |
| 关键词 | MOLECULAR-DYNAMICS SIMULATION HYDROPHILICITY SOLVENTS AQUEOUS-SOLUTIONS CRUDE-OIL ASPHALTENE EXTRACTION SEPARATION NANOAGGREGATION HYDROCARBONS AGGREGATION |
| 英文摘要 | The entrainment of residual switchable hydrophilicity solvents (e.g., N, N, N ', N '-tetraethyl-1,3-propanediamine (TEPDA)) in the oil phase after solvent extraction was considered as one of the main challenges hindering the application of switchable solvents. Herein, the residual behavior of TEPDA in bitumen has been systematically investigated with experimental tests and molecular dynamic (MD) simulation. According to the experimental tests, it is found that the TEPDA could be entrained in bitumen in two different ways: i) a small amount of solvents are dissolved in the water droplets dispersed in the bitumen, and ii) most of the neutral solvents remain in the bitumen in the form of mutual solubility. The partial dissolution of asphaltene by TEPDA is the main factor affecting solvent protonation via solubility experiments. To comprehensively understand the process and formation mechanism of solvent residue, molecular dynamic simulation was used to analyze the wrapping mechanisms. By studying the interaction between different oil fractions and solvent molecules, it is found that asphaltene plays an important role in blocking reversible solvents and hinders their diffusion to the surface, which is consistent with the solubility tested. Intermolecular interaction analysis is used to understand the mechanism of solvent residue. It is observed that the van der Waals (vdW) forces between heteroatoms (O, N, S) in asphaltenes and methyl group in TEPDA as well as hydrogen bond (N...O-H) between TEPDA and asphaltene, play an important role in the binding of asphaltene-TEPDA. This finding provides molecular mechanisms for the residue of switchable solvents during heavy oil extraction. It would also shed light on developing new methods of solving the switchable solvent residues in other extraction processes. |
| 源URL | [http://ir.nimte.ac.cn/handle/174433/21794]  |
| 专题 | 中国科学院宁波材料技术与工程研究所 2021专题_期刊论文 |
| 作者单位 | 1.Sui, H 2.He, L (corresponding author), Tianjin Univ, Sch Chem Engn & Technol, Tianjin 300072, Peoples R China. |
| 推荐引用方式 GB/T 7714 | Yang, Yongli,Sui, Hong,Ma, Jun,et al. Revealing the residual mechanism of switchable solvents in heavy oil[J]. FUEL PROCESSING TECHNOLOGY,2021,218. |
| APA | Yang, Yongli,Sui, Hong,Ma, Jun,He, Lin,&Li, Xingang.(2021).Revealing the residual mechanism of switchable solvents in heavy oil.FUEL PROCESSING TECHNOLOGY,218. |
| MLA | Yang, Yongli,et al."Revealing the residual mechanism of switchable solvents in heavy oil".FUEL PROCESSING TECHNOLOGY 218(2021). |
入库方式： OAI收割
来源：宁波材料技术与工程研究所
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