Solvent effects on polymer dynamics and structure are investigated using a mesoscopic solvent model that accounts for hydrodynamic interactions among the polymer beads. The simulation method combines molecular dynamics of the polymer chain, interacting with the solvent molecules through intermolecular forces, with mesoscopic multiparticle collision dynamics for the solvent molecules. Changes in...

most reservoir fluids contain heavy paraffinic compounds that may precipitate as a solid or solid like material called wax if the fluid is cooled down. wax precipitation is a phenomenon of considerable importance in oil industry. an increase in aggregation results in enhanced oil viscosity. this however causes significant negative effects on production, transportation and processing of crude oi...

Structural and thermodynamic properties of a nonuniform liquid are related to those of a reference fluid with purely repulsive intermolecular forces in an external field. A new equation for that field derived from the Yvon-Born-Green hierarchy permits a self-consistent description of correlations induced by the exact repulsive forces and a mean field treatment of the attractive forces. Predicti...

by considering the fact that the surface tension of a real fluid arises from a combination of both repulsive and attractive forces between molecules, a new expression for the interfacial tension has been derived from scaled particle theory (spt)  based on the work of cavity formation and the interaction energy between molecules. at the critical temperature, the interfacial tension between coexi...

Spontaneous assembly of DNA molecules into compact structures is ubiquitous in biological systems. Experiment has shown that polycations can turn electrostatic self-repulsion of DNA into attraction, yet the physical mechanism of DNA condensation has remained elusive. Here, we report the results of atomistic molecular dynamics simulations that elucidated the microscopic structure of dense DNA as...

Importance of intermolecular forces (interactions of molecular chains) in the characteristic mechanical behavior of elastomers is studied. To focus on the microstructure of sulfur vulcanized rubbers, different network structures of NR/SBR elastomeric blends are investigated. The main difference of these structures comes from the ratio of sulfur to accelerator content in the curing systems. This...