Dynamics of Polymer Chains in Disperse Melts: Insights from Coarse-Grained Molecular Dynamics Simulations.

Synthetic polymers have a distribution of chain lengths which can be characterized by dispersity, . Their macroscopic properties are influenced by chain mobility in the melt, and controlling can significantly impact these properties. In this work, we present a detailed study of the static and dynamic behavior of fully flexible polymer chains that follow the Schulz-Zimm molecular weight distribution up to = 2.

Structure and dynamics of ethane confined in silica nanopores in the presence of CO.

Fundamental understanding of the subcritical/supercritical behavior of key hydrocarbon species inside nano-porous matrices at elevated pressure and temperature is less developed compared to bulk fluids, but this knowledge is of great importance for chemical and energy engineering industries. This study explores in detail the structure and dynamics of ethane (CH) fluid confined in silica nanopores, with a focus on the effects of pressure and different ratios of CH and CO at non-ambient temperature. Quasi-elastic neutron scattering (QENS) experiments were carried out for the pure CH, CH:CO = 3:1, and 1:3 mixed fluids confined in 4-nm cylindrical silica pores at three different pressures (30 bars, 65 bars, and 100 bars) at 323 K.