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Your search keyword '"Müller-Plathe, Florian"' showing total 39 results
Start Over Author "Müller-Plathe, Florian" Journal macromolecules
39 results on '"Müller-Plathe, Florian"'

1. Compatibilization Efficiency of Graft Copolymers in Incompatible Polymer Blends: Dissipative Particle Dynamics Simulations Combined with Machine Learning

Author

Zhou, Tianhang, primary, Qiu, Dejian, additional, Wu, Zhenghao, additional, Alberti, Simon A. N., additional, Bag, Saientan, additional, Schneider, Jurek, additional, Meyer, Jan, additional, Gámez, José A., additional, Gieler, Mandy, additional, Reithmeier, Marina, additional, Seidel, Andreas, additional, and Müller-Plathe, Florian, additional

Published
2022
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37. Do Transport Properties of Entangled Linear PolymersScale with Excess Entropy?

Author

Voyiatzis, Evangelos, Müller-Plathe, Florian, and Böhm, Michael C.

Subjects
*LINEAR polymers, *ENTROPY, *VISCOSITY, *DIFFUSION coefficients, *THERMODYNAMICS, *MACROMOLECULES
Abstract

We analyze the range of validityof the empirical excess entropyscalings proposed independently by Rosenfeld and Dzugutov for theviscosity and the diffusion coefficient of monodisperse Lennard-Joneschains. They are long enough to be considered as entangled. Thus,the influence of entanglements on entropy scalings can be quantified.We make use of thermodynamic integration to determine the exact excessentropy. Different ways of approximating the excess entropy eitherbased on conformational information or by employing the self-associatingfluid theory (SAFT) are explored. The correlations between the variousexcess entropy estimates are investigated in detail. The conformationalroute appears to be the most suitable way for the studied Lennard-Jonessystems. Its prediction is in qualitative agreement with those obtainedby thermodynamic integration, which is computationally more demanding.The SAFT results are not always consistent with the simulation data.The main qualitative feature of both the Rosenfeld and Dzugutov scalingis the coexistence of two linear regimes in the correlation of differententropy expressions. The sharpness of the transition regime dependson the way the excess entropy is approximated. The Dzugutov scalingfor the viscosity seems to have certain advantages in comparison tothe Rosenfeld one. The influence of the chain length on the parametersappearing in the excess entropy scaling relationships is examined.Despite the pronounced chain length dependence of the scaling parameters,a master curve relating the diffusion coefficient to the excess entropyis derived when performing a suitable renormalization. The relationbetween the scaling parameters of the viscosity and the diffusioncoefficient arewith one exceptionin line with thepredictions of the Stokes–Einstein law. [ABSTRACT FROM AUTHOR]

Published
2013
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