Pathway of Oil-Soluble Additives to Reduce Heavy Crude Oil Viscosity Depends on the Molecular Characteristics of Asphaltene
文献类型：期刊论文
| 作者 | Li, Zhen2; Han, Tiankun2; Li, Jiawei1; Zhu, Bojin2; Yan, Youguo2; Zhang, Jun2; Wang, Xiao2 |
| 刊名 | ENERGY & FUELS
 |
| 出版日期 | 2024-03-12 |
| 卷号 | 38期号:6页码:4990-4997 |
| ISSN号 | 0887-0624 |
| DOI | 10.1021/acs.energyfuels.3c04531 |
| 通讯作者 | Zhang, Jun(zhangjun.upc@gmail.com) ; Wang, Xiao(xiaoxiaoupc@outlook.com) |
| 英文摘要 | The high viscosity of heavy crude oil hinders its efficient production and transportation. Oil-soluble viscosity reducers (VRs) are crucial for ensuring the world's energy needs are met; however, the molecular mechanism underlying the reduction of viscosity remains unclear, which obstructs the selection of VRs for specific heavy oil reservoirs and further development of VRs. In this work, using molecular dynamics (MD) and quantum mechanics (QM) simulations, modeled heavy oils and VRs were employed to explore the molecular pathways of VRs to reduce heavy oil viscosity. Taking structural analyses and interaction energy analyses together, for a small asphaltene surrogate whose molecules interact with each other via hydrogen bonds, VR molecules were interspersed within the spatial hydrogen bond network, leading to a relaxation of network configuration. However, for another asphaltene surrogate that tends to aggregate through face-to-face stacking, the viscosity reducer could adsorb onto the asphaltenes, resulting in a shielding effect on asphaltene nanoaggregates from other heavy oil components. Thus, the viscosity reduction pathways should be chosen according to the molecular characteristics of the asphaltenes. These molecular insights and implications are expected to facilitate the future design and application of oil-soluble VRs. |
| WOS关键词 | PARTICLE MESH EWALD ; DYNAMICS ; BEHAVIOR ; RESIN ; SIMULATION ; SURFACTANT ; RHEOLOGY ; INSIGHTS ; AGENT |
| 资助项目 | National Key Research and Development Program of China[2018YFA0702400] ; National Key R&D Program of China[52274054] ; National Natural Science Foundation of China |
| WOS研究方向 | Energy & Fuels ; Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:001183909400001 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.qdio.ac.cn/handle/337002/185034]  |
| 专题 | 海洋研究所_海洋腐蚀与防护研究发展中心 |
| 通讯作者 | Zhang, Jun; Wang, Xiao |
| 作者单位 | 1.Chinese Acad Sci, Inst Oceanol, Key Lab Marine Environm Corros & Biofouling, Qingdao 266071, Peoples R China 2.China Univ Petr East China, Sch Mat Sci & Engn, Qingdao 266580, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li, Zhen,Han, Tiankun,Li, Jiawei,et al. Pathway of Oil-Soluble Additives to Reduce Heavy Crude Oil Viscosity Depends on the Molecular Characteristics of Asphaltene[J]. ENERGY & FUELS,2024,38(6):4990-4997. |
| APA | Li, Zhen.,Han, Tiankun.,Li, Jiawei.,Zhu, Bojin.,Yan, Youguo.,...&Wang, Xiao.(2024).Pathway of Oil-Soluble Additives to Reduce Heavy Crude Oil Viscosity Depends on the Molecular Characteristics of Asphaltene.ENERGY & FUELS,38(6),4990-4997. |
| MLA | Li, Zhen,et al."Pathway of Oil-Soluble Additives to Reduce Heavy Crude Oil Viscosity Depends on the Molecular Characteristics of Asphaltene".ENERGY & FUELS 38.6(2024):4990-4997. |
入库方式： OAI收割
来源：海洋研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。