Pathway of Oil-Soluble Additives to Reduce Heavy Crude Oil Viscosity Depends on the Molecular Characteristics of Asphaltene

doi:10.1021/acs.energyfuels.3c04531

	Pathway of Oil-Soluble Additives to Reduce Heavy Crude Oil Viscosity Depends on the Molecular Characteristics of Asphaltene
	Li, Zhen 1; Han, Tiankun 1; Li, Jiawei 2; Zhu, Bojin 1; Yan, Youguo 1; Zhang, Jun 1; Wang, Xiao 1
	2024-03-12
发表期刊	ENERGY & FUELS
ISSN	0887-0624
卷号	38 期号:6 页码:4990-4997
通讯作者	Zhang, Jun(zhangjun.upc@gmail.com) ; Wang, Xiao(xiaoxiaoupc@outlook.com)
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.
DOI	10.1021/acs.energyfuels.3c04531
收录类别	SCI
语种	英语
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
WOS类目	Energy & Fuels ; Engineering, Chemical
WOS记录号	WOS:001183909400001
出版者	AMER CHEMICAL SOC
WOS关键词	PARTICLE MESH EWALD ; DYNAMICS ; BEHAVIOR ; RESIN ; SIMULATION ; SURFACTANT ; RHEOLOGY ; INSIGHTS ; AGENT
引用统计
文献类型	期刊论文
条目标识符	http://ir.qdio.ac.cn/handle/337002/185035
专题	海洋环境腐蚀与生物污损重点实验室
通讯作者	Zhang, Jun; Wang, Xiao
作者单位	1.China Univ Petr East China, Sch Mat Sci & Engn, Qingdao 266580, Peoples R China 2.Chinese Acad Sci, Inst Oceanol, Key Lab Marine Environm Corros & Biofouling, Qingdao 266071, 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.