Designing polyurethane-based microcapsules with tailored swelling behaviours for enhanced oil recovery

doi:10.1039/d3me00137g

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	Designing polyurethane-based microcapsules with tailored swelling behaviours for enhanced oil recovery
	Wang, Tongyi 3; Liu, Yongsheng 1; Li, Jiawei 2; Zhang, Jun 3; Hou, Jian 1; Yan, Youguo 3; Wang, Xiao 3
刊名	MOLECULAR SYSTEMS DESIGN & ENGINEERING
	2023-11-02
页码	10
ISSN号	2058-9689
DOI	10.1039/d3me00137g
通讯作者	Li, Jiawei(xiicarson@gmail.com) ; Yan, Youguo(yyg@upc.edu.cn)
英文摘要	Polyurethane (PU) materials have been widely used for developing microcapsules due to their excellent polymerization, encapsulation, and controlled release properties. These unique properties endow PU-based microcapsules with desired functions for enhanced oil recovery (EOR). However, there are some special requirements for PU-based microcapsules in their application of the EOR process, such as they are expected to exhibit good stability at room temperature but thermo-responsive swelling-release properties in the oil reservoir. To enhance the functionality of PU-based microcapsules for EOR, after validating the swelling-release behaviors of PU-based microcapsules, we employed all-atom molecular dynamics (MD) simulations to study the effects of molecular structure of PU-based polymers on thermo-responsivity of microcapsules. The simulation results demonstrate that the diisocyanate segments have significant influence on swelling behaviors of PUs. The different diisocyanate segments, including isophorone diisocyanate (IPDI), toluene diisocyanate (TDI), 4,4 '-diphenylmethane diisocyanate (MDI), and hexamethylene diisocyanate (HDI), have different impacts on the flexibility of the polymer, which further influence the network structure of the polymer matrix. The different swelling behaviors of PU-based polymers were further analyzed from energetic and kinetic perspectives, and it is demonstrated that TDI-PU can combine stability and thermo-responsivity together. In addition, the introduction of anionic functional groups can further facilitate the swelling process. The findings in this study serve as a foundation for future studies toward the development of polymer flooding technology and provide valuable molecular insights into the swelling mechanism of PU-based polymers. Polyurethane-based polymers are designed with tailored thermo-responsive swelling-release behaviours, and the roles of different segments in the swelling process are clarified.
资助项目	This work is financially supported by the National Natural Science Foundation of China (Grant No. U21B2070, 52104059), Shandong Provincial Natural Science Foundation, China (ZR2021QE003), and Fundamental Research Funds for the Central Universities (21CX060[U21B2070] ; This work is financially supported by the National Natural Science Foundation of China (Grant No. U21B2070, 52104059), Shandong Provincial Natural Science Foundation, China (ZR2021QE003), and Fundamental Research Funds for the Central Universities (21CX060[52104059] ; National Natural Science Foundation of China[ZR2021QE003] ; Shandong Provincial Natural Science Foundation, China[21CX06010A] ; Fundamental Research Funds for the Central Universities
WOS关键词	MECHANISMS ; POLYMERS ; DYNAMICS
WOS研究方向	Chemistry ; Engineering ; Science & Technology - Other Topics ; Materials Science
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:001101646600001
内容类型	期刊论文
源URL	[http://ir.qdio.ac.cn/handle/337002/184040]
专题	海洋研究所_海洋腐蚀与防护研究发展中心
通讯作者	Li, Jiawei; Yan, Youguo
作者单位	1.China Univ Petr East China, Sch Petr Engn, Qingdao 266580, Peoples R China 2.Chinese Acad Sci, Inst Oceanol, Key Lab Marine Environm Corros & Biofouling, Qingdao 266071, Peoples R China 3.China Univ Petr East China, Sch Mat Sci & Engn, Qingdao 266580, Peoples R China
推荐引用方式 GB/T 7714	Wang, Tongyi,Liu, Yongsheng,Li, Jiawei,et al. Designing polyurethane-based microcapsules with tailored swelling behaviours for enhanced oil recovery[J]. MOLECULAR SYSTEMS DESIGN & ENGINEERING,2023:10.
APA	Wang, Tongyi.,Liu, Yongsheng.,Li, Jiawei.,Zhang, Jun.,Hou, Jian.,...&Wang, Xiao.(2023).Designing polyurethane-based microcapsules with tailored swelling behaviours for enhanced oil recovery.MOLECULAR SYSTEMS DESIGN & ENGINEERING,10.
MLA	Wang, Tongyi,et al."Designing polyurethane-based microcapsules with tailored swelling behaviours for enhanced oil recovery".MOLECULAR SYSTEMS DESIGN & ENGINEERING (2023):10.