Mathematical foundations of an ultra coarse-grained slip link model

摘要

The master equation underlying ecoSLM, an ultra-coarse-grained slip link model, is presented. In the absence of constraint release, the equilibrium and dynamic properties of the discrete master equation for large chains are found to be virtually identical to the continuous Fokker-Planck equation for Brownian particles diffusing in a potential. A single-chain microscopic model with repulsion between adjacent slip links is described. It is approximately consistent with the quadratic fluctuation potential used in ecoSLM. Mapping ecoSLM with fine-grained slip link models or experiments requires specification of an effective friction as a function of molecular weight. Methods to accomplish this are discussed. Collectively, the mathematical framework described provides an interface for fine-grained slip link models to potentially use ecoSLM for extreme coarse-graining.