Nanoparticle Mobility within Permanently Cross-Linked Polymer Networks

doi:10.1021/acs.macromol.0c00334

CORC > 宁波材料技术与工程研究所 > 中国科学院宁波材料技术与工程研究所 > 2020专题

	Nanoparticle Mobility within Permanently Cross-Linked Polymer Networks
	Chen, Yulong ; Ma, Rui ; Qian, Xin ; Zhang, Ruoyu ; Huang, Xifu ; Xu, Haohao ; Zhou, Mi ; Liu, Jun
刊名	MACROMOLECULES
	2020
卷号	53 期号:11 页码:4172-4184
关键词	MOLECULAR-DYNAMICS SIMULATIONS STOKES-EINSTEIN RELATION MODEL NETWORKS POLYACRYLAMIDE HYDROGELS PARTICLE DYNAMICS NANOROD DIFFUSION NANOCOMPOSITES MELTS SIZE RELAXATION
DOI	10.1021/acs.macromol.0c00334
英文摘要	Coarse-grained molecular dynamics simulations were performed to investigate the mobility of nanoparticles (NPs) embedded in end-linked polymer networks, considering both the entangled and unentangled cases. For the entangled case, where the network strand length N-x is longer than the entanglement length N-e, the strand dynamics exhibits a heavily entangled subdiffusive feature before being restricted within the fluctuation distance d(fluct) by the permanent cross-links. The dynamics of NPs with size d(NP) smaller than the entanglement tube length d(T) in such network follows the same behavior as that in entangled linear polymers, while for NPs with size comparable to d(T), their motion is suppressed by the entanglements. The constraint release of the entanglements would allow the particles to pass through but is slightly restricted by the permanent network junctions. For the unentangled case, where N-x/N-e < 1, the network strands can move only locally with suppressed subdiffusive behavior due to the restrictions imposed by the adjacent network junctions. Consequently, the coupled NP dynamics is also reduced. In addition, when d(NP) is larger than the strand fluctuation distance d(fluct), the NPs are trapped by the network cages and can diffuse at long times through hopping, which is partially masked by the NP thermal fluctuations, as reflected from the NP trajectories. Such hopping fashion of NP motion becomes more apparent with increasing the network confinement ratio before being permanently localized within the network. Increasing the NP-polymer attraction would further hamper the NP mobility. In general, this work provides some insights into understanding how the permanent cross-links affect the network dynamics and thereby the coupled NP mobility.
学科主题	Polymer Science
内容类型	期刊论文
源URL	[http://ir.nimte.ac.cn/handle/174433/20741]
专题	2020专题
作者单位	1.Qian, X (corresponding author), Zhejiang Univ Technol, Coll Mat Sci & Engn, Hangzhou 310014, Peoples R China. 2.Liu, J (corresponding author), Beijing Univ Chem Technol, Key Lab Beijing City Preparat & Proc Novel Polyme, Beijing 100029, Peoples R China.
推荐引用方式 GB/T 7714	Chen, Yulong,Ma, Rui,Qian, Xin,et al. Nanoparticle Mobility within Permanently Cross-Linked Polymer Networks[J]. MACROMOLECULES,2020,53(11):4172-4184.
APA	Chen, Yulong.,Ma, Rui.,Qian, Xin.,Zhang, Ruoyu.,Huang, Xifu.,...&Liu, Jun.(2020).Nanoparticle Mobility within Permanently Cross-Linked Polymer Networks.MACROMOLECULES,53(11),4172-4184.
MLA	Chen, Yulong,et al."Nanoparticle Mobility within Permanently Cross-Linked Polymer Networks".MACROMOLECULES 53.11(2020):4172-4184.