Mean-Square Displacements of Polymers in Simulated Blend Melts

We apply numerical analysis to interpret reported simulations of polymer blend melts, in particular simulational determinations of mean-square displacements g(t) of polymer beads and polymer centers of mass. Our interest is a quantitative comparison of g(t) with theoretical models that predict g(t). Many models predict that g(t) can be described as a sequence of power-law regimes g(t)∼tα. In each regime, α has a model-predicted value. We find that these models are not consistent with simulations of blend melts. Instead, g(t) generally has a single power-law regime and (when those times are reached) a long-time diffusive (α≈1) regime. Outside these two regions, if one writes g(t)∼tα, then α is a smoothly-changing function of time.

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Publication Details

Journal
Polymers
Published
2025-11-26
DOI
https://doi.org/10.3390/polym17233140
Primary Topic
Rheology and Fluid Dynamics Studies
Type
article
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article

Mean-Square Displacements of Polymers in Simulated Blend Melts

George D. J. Phillies
Polymers
Rheology and Fluid Dynamics Studies
article

Mean-Square Displacements of Polymers in Simulated Blend Melts

George D. J. Phillies
article en

Abstract

We apply numerical analysis to interpret reported simulations of polymer blend melts, in particular simulational determinations of mean-square displacements g(t) of polymer beads and polymer centers of mass. Our interest is a quantitative comparison of g(t) with theoretical models that predict g(t). Many models predict that g(t) can be described as a sequence of power-law regimes g(t)∼tα. In each regime, α has a model-predicted value. We find that these models are not consistent with simulations of blend melts. Instead, g(t) generally has a single power-law regime and (when those times are reached) a long-time diffusive (α≈1) regime. Outside these two regions, if one writes g(t)∼tα, then α is a smoothly-changing function of time.

PolymersVol. 17(23)
Worcester Polytechnic Institute (US)
Openalex Percentile: Top 66%
Rheology and Fluid Dynamics Studies
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