Polymer nanofiber molecular simulation
WebThe role of temperature and kinetically accessible molecular configurations in predicting interface-dominated interactions at polymer fiber surfaces are highlighted, and prompt … Web2 simulations of amorphous, glassy polymer nanofibers with diameter ranging from 3.7 to 17.7 nm. We find that, for a given temperature, the Young’s elastic modulus E decreases with fiber radius and can be as much as 52% lower than that of the corresponding bulk
Polymer nanofiber molecular simulation
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WebMolecular dynamics simulation were employed to investigate the effect of changing the potential energies describing primary and secondary bonds on the Young’s modulus of a polymer. The energies were changed by arbitrarily modifying the parameters of the potential energy model function. The parameters influence the structure of the polymer and its … WebLeading-edge, multi-disciplinary research in science and technology for Central Research and Development at DuPont. Expertise in chemical physics and engineering, polymer physics, materials ...
WebDr. Yuan joined Oak Ridge National Laboratory in November 2024 as an Alvin M. Weinberg Distinguished Staff Fellow in the Macromolecular Nanomaterials Group at the Center for Nanophase Materials ... WebDec 14, 2007 · Understanding molecular interactions between functionalized carbon nanofibers and polymer resins is a crucial step towards their potential use in nanocomposites. In this work, the effects of surface functional groups on the molecular interactions between carbon nanofibers and polymer resins have been studied by using …
WebSep 28, 2024 · Cellulose nanofiber (CNF) is a crystalline fiber composed of a bundle of cellulose molecular chains and is expected to be used as a new biomass-derived … WebWith the aim of expanding the absorption range of these conjugated polymers for their use in bulk heterojunction (BHJ) polymer:fullerene solar cells, appropriate phthalocyanine (Pc) molecules have been covalently bound through a post-polymerization "click chemistry" reaction between the alkyne functionalities in the side chains of the copolymers and a Pc …
WebApr 1, 2010 · We employ both molecular dynamics (MD) simulations at a temperature below the glass transition temperature T(g) of the polymer bulk, and molecular statics (MS), or …
WebApr 25, 2024 · The condensed-phase optimized molecular potentials for atomistic simulation studies (COMPASS) 47 all-atom potential is used to model the PE and a timestep of 0.5 fs is employed. hill kelly pensacola flWebWith molecular dynamics simulations, nanocomposites were characterized that are comprised of a polyimide (PI) polymer and carbon nanotubes (CNTs) with the same outer diameter but with one, two, or three walls. The simulations indicate that the PI/CNT interaction is strong, regardless of the number of CNT walls, and that there is some … smart benefits projectWebApr 12, 2024 · Electrospinning can be used to create nanofibers with diameters of typically a few tens to a few hundred nanometers. While pure polymers are often electrospun, it is … hill kimmel contractingWebThe extent to which the intrinsic mechanical properties of polymer fibers depend on physical size has been a matter of dispute that is relevant to most nanofiber applications. Here, we … smart benefits login hewittWebApr 11, 2024 · In this study, polymer-dispersed liquid crystal (PDLC) membranes were prepared by combining prepolymer, liquid crystal, and nanofiber mesh membranes under … hill kineticsWebpolymer-wrapped enzymes. Focuses on the nanoarmoring of enzymes Covers the rational design of polymer-wrapped enzymes Includes contributions from leading authorities working in enzymology Informs and updates on all the latest developments in the field of enzymology Liberalisation and Globalisation of Indian Economy - Jul 05 2024 smart benefits the aaWebDec 14, 2007 · Understanding molecular interactions between functionalized carbon nanofibers and polymer resins is a crucial step towards their potential use in … smart benefits phone number