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8 papers · 2 filters
Structural and conformational dynamics of supercooled polymer melts: Insights from first-principles theory and simulations
Song-Ho Chong, Martin Aichele, Hendrik Meyer +2
We report on quantitative comparisons between simulation results of a bead-spring model and mode-coupling theory calculations for the structural and conformational dynamics of a su…
Static Rouse Modes and Related Quantities: Corrections to Chain Ideality in Polymer Melts
H. Meyer, J. P. Wittmer, T. Kreer +4
Following the Flory ideality hypothesis intrachain and interchain excluded volume interactions are supposed to compensate each other in dense polymer systems. Multi-chain effects s…
Chemical analysis and aqueous solution properties of Charged Amphiphilic Block Copolymers PBA-b-PAA synthesized by MADIX
M. Jacquin, P. Muller, R. Talingting-Pabalan +4
We have linked the structural and dynamic properties in aqueous solution of amphiphilic charged diblock copolymers poly(butyl acrylate)-b-poly(acrylic acid), PBA-b-PAA, synthesized…
Intramolecular long-range correlations in polymer melts: The segmental size distribution and its moments
J. P. Wittmer, P. Beckrich, H. Meyer +3
Presenting theoretical arguments and numerical results we demonstrate long-range intrachain correlations in concentrated solutions and melts of long flexible polymers which cause a…
Bond formation and slow heterogeneous dynamics in adhesive spheres with long--ranged repulsion: Quantitative test of Mode Coupling Theory
O. Henrich, A. M. Puertas, M. Sperl +2
A colloidal system of spheres interacting with both a deep and narrow attractive potential and a shallow long-ranged barrier exhibits a prepeak in the static structure factor. This…
Comparison of Dissipative Particle Dynamics and Langevin thermostats for out-of-equilibrium simulations of polymeric systems
C. Pastorino, T. Kreer, M. Mueller +1
In this work we compare and characterize the behavior of Langevin and Dissipative Particle Dynamics (DPD) thermostats in a broad range of non-equilibrium simulations of polymeric s…