Mode-coupling theory for structural and conformational dynamics of polymer melts

Abstract

A mode-coupling theory for dense polymeric systems is developed which unifyingly incorporates the segmental cage effect relevant for structural slowing down and polymer chain conformational degrees of freedom. An ideal glass transition of polymer melts is predicted which becomes molecular-weight independent for large molecules. The theory provides a microscopic justification for the use of the Rouse theory in polymer melts, and the results for Rouse-mode correlators and mean-squared displacements are in good agreement with computer simulation results.

4 pages, 3 figures, Phys. Rev. Lett. in press

References in corpus (5)

• Molecular Dynamics Simulations of the Thermal Glass Transition in Polymer Melts: Alpha-Relaxation Behaviour
• Asymptotic laws for tagged-particle motion in glassy systems
• Molecular-Dynamics Simulation of a Glassy Polymer Melt: Rouse Model and Cage Effect
• Idealized glass transitions for a system of dumbbell molecules
• Reorientational relaxation of a linear probe molecule in a simple glassy liquid

Cited by in corpus (21)

• Molecular dynamics simulations of glassy polymers
• Confirmation of Anomalous Dynamical Arrest in attractive colloids: a molecular dynamics study
• Subdiffusion and lateral diffusion coefficient of lipid atoms and molecules in phospholipid bilayers
• Understanding, predicting, and tuning the fragility of vitrimeric polymers
• Is there a higher-order Mode Coupling transition in polymer blends?
• Brownian motion: a paradigm of soft matter and biological physics
• Logarithmic decay in single-particle relaxations of hydrated lysozyme powder
• Structural and conformational dynamics of supercooled polymer melts: Insights from first-principles theory and simulations
• Dynamics in a supercooled liquid of symmetric dumbbells: Reorientational hopping for small molecular elongations
• Cooperative intramolecular dynamics control the chain-length-dependent glass transition in polymers
• Static Properties of a Simulated Supercooled Polymer Melt: Structure Factors, Monomer Distributions Relative to the Center of Mass, and Triple Correlation Functions
• The Role of Intramolecular Barriers on the Glass Transition of Polymers: Computer Simulations vs. Mode Coupling Theory
• From caging to Rouse dynamics in polymer melts with intramolecular barriers: a critical test of the Mode Coupling Theory
• Atomic motions in the $\alpha \beta$-region of glass-forming polymers: Molecular versus Mode Coupling Theory approach
• Unveiling the anatomy of mode-coupling theory
• Monte Carlo SImulation of Polymers: Coarse-Grained Models
• Violation of Stokes-Einstein and Stokes-Einstein-Debye relations in polymers at the gas-supercooled liquid coexistence
• Validity of the Molecular-Dynamics-Lattice-Gas Global Equilibrium Distribution Function
• Multiple character of non-monotonic size-dependence for relaxation dynamics in polymer-particle and binary mixtures
• A numerical study of longtime dynamics and ergodic-nonergodic transitions in dense simple fluids
• Multiscale Modeling and Coarse Graining of Polymer Dynamics: Simulations Guided by Statistical Beyond-Equilibrium Thermodynamics