Elastomers are made of chain-like molecules to form networks that can sustain large
deformation. Rubbers are thermosetting elastomers that are obtained from irreversible …

Nanofiltration (NF) and reverse osmosis (RO) processes are physical separation
technologies used to remove contaminants from liquid streams by employing dense polymer …

The structure and dynamics of polymers in the presence of nanoparticles (NPs) determine
the macroscopic properties of polymer–nanoparticle composites (PNCs). Through molecular …

Polymer nanocomposites (PNCs) demonstrate excellent mechanical properties through the
addition of fillers to the polymer, making them versatile for various applications. However …

We investigate the temperature-and density-dependence of effective pair potentials for 1-site
coarse-grained (CG) models of two industrial solvents, 1, 4-dioxane and tetrahydrofuran. We …

Abstracts Due to the complexities of microstructure of molecular chains and their
interactions, it has been a great challenge to quantify the correlation between …

The coarse-grained (CG) model serves as a powerful tool for the simulation of polymer
systems; its reliability depends on the accurate representation of both structural and …

A variable-entanglement density constitutive model is developed for the description of the
rheological properties of entangled polymer melts and concentrated polymer solutions using …

The rise of fully automated chemical synthesis represents a groundbreaking shift in
laboratory research driven by rapid technological advancements. Instead of relying on …

Structural and dynamical properties of cis-1, 4-polyisoprene-graphite system were
compared by four coarse-grained models. Coarse-graining of graphene layers replaced four …