Coarse-grained Description of Polymer Blends as Interacting Soft-Colloidal Particles
G. Yatsenko, E. J. Sambriski, M. G. Guenza
TL;DR
This paper introduces a theoretical method that models polymer blends as mixtures of soft-colloidal particles, accurately reproducing simulation data and analytical structure factors without fitting parameters.
Contribution
The study develops a mesoscale theoretical framework mapping polymer blends onto soft-colloidal particles, matching simulation results and analytical expressions.
Findings
Accurately reproduces molecular dynamics data
Provides analytical expressions for structure factors
No fitting parameters needed
Abstract
We present a theoretical approach which maps polymer blends onto mixtures of soft-colloidal particles. The analytical mesoscale pair distribution functions reproduce well data from united atom molecular dynamics simulations of polyolefin mixtures without fitting parameters. The theory exactly recovers the analytical expressions for density and concentration fluctuation structure factors of soft colloidal mixtures (liquid alloys).
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