Structure of linear polymeric chains confined between impenetrable spherical walls

作者: R. C. Picu , M. S. Ozmusul

DOI: 10.1063/1.1576216

关键词: Bond lengthChemical physicsPolymerCurvatureClassical mechanicsVolume fractionGyrationMaterials scienceScalingRadiusHydrogen bondPhysical and Theoretical ChemistryGeneral Physics and Astronomy

摘要: The bond-scale and chain-scale structure of linear polymers located close to spherical impenetrable surfaces is studied in dense systems by means lattice Monte Carlo simulations. role the various types interactions (entropic, cohesive bulk polymer, attraction filler surface) that chain length, polymer density, wall curvature defining analyzed. size effect fillers investigated scaling radius at constant volume fraction. On bond scale, ends segregate all systems, with being essentially independent curvature. bonds are preferentially oriented direction tangential wall. distance from over which these effects observed about one length athermal case two gyration radii energetic case. ellipsoidal chains undergo a “docking” transition fillers. ellipsoids do not deform, rather rotate their large semiaxis as centers mass approach This configurational entropy-controlled situation remains valid when considered even hydrogen strong When wall-to-wall between decreases below radii, its semiaxis, an details system.

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