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Hydrodynamic Properties of Polymers Screening the Electrokinetic Flow: Insights from a Computational Study
Wu P; Sun T; Jiang XK(蒋玺恺); Kondrat S
Corresponding AuthorWu, Peng(pengwu@hust.edu.cn)
Source PublicationPOLYMERS
2019-06-01
Volume11Issue:6Pages:13
AbstractUnderstanding 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.
Keywordpolymeric coatings Stokes radius hydrodynamic shielding molecular dynamics simulations Navier-Stokes-Brinkman model
DOI10.3390/polym11061038
Indexed BySCI
Language英语
WOS IDWOS:000473819100110
WOS KeywordELECTROPHORETIC MOBILITY ; ELECTROOSMOTIC FLOW ; DYNAMICS ; BRUSHES ; SIMULATION ; DIFFUSION ; VISCOSITY ; TRANSPORT ; PRESSURE
WOS Research AreaPolymer Science
WOS SubjectPolymer Science
Funding ProjectNatural 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]
Funding OrganizationNatural 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
Classification二类/Q1
Ranking3
Citation statistics
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/79435
Collection非线性力学国家重点实验室
Recommended Citation
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,蒋玺恺,&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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