Thermodynamic–Dynamic Interrelations in Glass-Forming Polymer Fluids

نویسندگان

چکیده

There is a long history of trying to understand the dynamics glass-forming and other condensed materials exhibiting highly anharmonic interparticle interactions based on their thermodynamic properties. This has led numerous correlations between (e.g., density, compressibility, enthalpy, entropy, vapor pressure) dynamic viscosity, diffusion coefficients, relaxation times) properties, steady stream theoretical models been introduced rationalize these in absence any generally accepted theory non-crystalline materials. We view independent success various semi-empirical liquids as possibly pointing greater unity arising from strong interrelation which matter interest beyond an understanding liquids. Accordingly, we utilize lattice cluster (LCT) polymer fluids show that configurational internal energy are all closely interrelated, suggested by recent measurements Caruthers Medvedev, so generalized entropy (GET) glass formation, combination LCT Adam–Gibbs model, can be recast terms properties convenience. Thermodynamic scaling, form density–temperature scaling exhibited some used assess most naturally linked dynamics, explore origin this both direct calculations GET molecular simulations coarse-grained model. Through our comprehensive modeling using predictive model for how fluid thermodynamics relate its along with simulation results confirming frameworks, obtain insights into aspects collective motion slow ?-relaxation processes

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ژورنال

عنوان ژورنال: Macromolecules

سال: 2022

ISSN: ['0024-9297', '1520-5835']

DOI: https://doi.org/10.1021/acs.macromol.2c01511