Related Experiment Video
Updated: Aug 15, 2026

Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level
Published on: September 26, 2016
Speed up of dynamic observables in coarse-grained molecular-dynamics simulations of unentangled polymers
Praveen K Depa1, Janna K Maranas
1Department of Chemical Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, USA.
Abstract:
Coarse-grained models that preserve atomistic detail display faster dynamics than atomistic systems alone. We show that this " indirect speed up" is robust: coarse-grained dynamic observables computed with time scaled by a constant factor are in excellent agreement with their underlying atomistic counterparts. Borrowing from accelerated dynamics methods used in the field of rare events, we predict the scaling factor within 7%, based on reduced intermolecular attraction yielding faster neighbor cage escapes.
Related Concept Videos
Distribution of Molecular Speeds
Step-Growth Polymerization: Overview
Many natural and synthetic polymers are produced by...
Ziegler–Natta Chain-Growth Polymerization: Overview
Molecular Weight of Step-Growth Polymers
As the step-growth polymerization involves step-wise condensation of monomers, the molecular weight also builds up eventually. Consequently, high molecular weight polymers are obtained at the late stages of the polymerization, where 99% of monomers have been consumed.
The extent of the...
Polymers: Molecular Weight Distribution
Radical Chain-Growth Polymerization: Mechanism

