Hydrodynamic Properties of Polymers Screening the Electrokinetic Flow: Insights from a Computational Study | |
Wu P; Sun T; Jiang XK(蒋玺恺); Kondrat S | |
发表期刊 | POLYMERS |
2019-06-01 | |
卷号 | 11期号:6页码:13 |
ISSN | 2073-4360 |
摘要 | Understanding the hydrodynamic properties of polymeric coatings is crucial for the rational design of molecular transport involving polymeric surfaces and is relevant to drug delivery, sieving, molecular separations, etc. It has been found that the hydrodynamic radius of a polymer segment is an order of magnitude smaller than its physical size, but the origin of this effect does not seem to be well understood. Herein, we study the hydrodynamic properties of polymeric coatings by using molecular dynamics simulations, navigated by the continuous Navier-Stokes-Brinkman model. We confirm that the averaged hydrodynamic radius of a polymer bead is about one order of magnitude smaller than its physical radius, and, in addition, we show that it exhibits a strong dependence on the degree of polymerization. We relate this variation of the hydrodynamic radius to the structural properties and hydrodynamic shielding by surrounding polymer beads. This is done by separating the effects originating from near and far beads. For the near beads, shielding is mainly due to the two nearest beads (of the same polymer) and leads to about a 5-fold reduction in the hydrodynamic radius. Assuming the additivity of the hydrodynamic shielding by far beads, we suggest a simple model, which captures correctly the qualitative behaviour of the hydrodynamic radius with the degree of polymerization. The revealed shielding effects provide important insights relevant to the advanced modelling of hydrodynamic properties of polymeric coatings. |
关键词 | polymeric coatings Stokes radius hydrodynamic shielding molecular dynamics simulations Navier-Stokes-Brinkman model |
DOI | 10.3390/polym11061038 |
收录类别 | SCI |
语种 | 英语 |
WOS记录号 | WOS:000473819100110 |
关键词[WOS] | ELECTROPHORETIC MOBILITY ; ELECTROOSMOTIC FLOW ; DYNAMICS ; BRUSHES ; SIMULATION ; DIFFUSION ; VISCOSITY ; TRANSPORT ; PRESSURE |
WOS研究方向 | Polymer Science |
WOS类目 | Polymer Science |
资助项目 | Natural Science Foundation of Hubei Province of China[0216120087] ; Institute of Mechanics, Chinese Academy of Sciences (CAS) ; CAS Key Research Program of Frontier Sciences[QYZDB-SSW-JSC036] ; CAS Strategic Priority Research Program[XDB22040403] |
项目资助者 | Natural Science Foundation of Hubei Province of China ; Institute of Mechanics, Chinese Academy of Sciences (CAS) ; CAS Key Research Program of Frontier Sciences ; CAS Strategic Priority Research Program |
论文分区 | 二类/Q1 |
力学所作者排名 | 3 |
RpAuthor | Wu, Peng |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://dspace.imech.ac.cn/handle/311007/79434 |
专题 | 非线性力学国家重点实验室 |
推荐引用方式 GB/T 7714 | Wu P,Sun T,Jiang XK,et al. Hydrodynamic Properties of Polymers Screening the Electrokinetic Flow: Insights from a Computational Study[J]. POLYMERS,2019,11,6,:13. |
APA | Wu P,Sun T,Jiang XK,&Kondrat S.(2019).Hydrodynamic Properties of Polymers Screening the Electrokinetic Flow: Insights from a Computational Study.POLYMERS,11(6),13. |
MLA | Wu P,et al."Hydrodynamic Properties of Polymers Screening the Electrokinetic Flow: Insights from a Computational Study".POLYMERS 11.6(2019):13. |
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