Studying polymer diffusiophoresis with non-equilibrium molecular dynamics
نویسندگان
چکیده
منابع مشابه
Non-equilibrium Molecular Dynamics
Statistical mechanics provides a well-established link between microscopic equilibrium states and thermodynamics. If one considers systems out of equilibrium, the link between microscopic dynamical properties and nonequilibrium macroscopic states is more difficult to establish [1,2]. For systems lying near equilibrium, linear response theory provides a route to derive linear macroscopic laws an...
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Introduction. The dynamics of polymer chains are now generally very well understood in the pioneering frameworks of the Rouse model for short chains, and the reptation model for longer chains.1-5 While these theories yield well-known expressions for the variation of the diffusivity D and viscosity η with the chain length N, an open question is the chain length at which one crosses over from Rou...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2020
ISSN: 0021-9606,1089-7690
DOI: 10.1063/5.0007235