Feasibility of a single-parameter description of equilibrium viscous liquid dynamics.

Single-order-parameter description of glass-forming liquids: a one-frequency test.

Thermoviscoelastic linear-response functions are calculated from the master equation describing viscous liquid inherent dynamics. From the imaginary parts of the frequency-dependent isobaric specific heat, isothermal compressibility, and isobaric thermal expansion coefficient, we define a "linear dynamic Prigogine-Defay ratio" LambdaTp(omega) with the property that if LambdaTp(omega)=1 at one f...

Long Range Corrections to the Vapor-Liquid Equilibrium and Surface Tension of Methane with NVT Molecular Dynamics Simulations

Transport of a Liquid Water-Methanol Mixture in a Single Wall Carbon Nanotube

In this work, a molecular dynamics simulation of the transport of water - methanol mixture through the single wall carbon nanotube (SWCNT) is reported. Methanol and water are selected as fluid molecules since water represents a strongly polar molecule while methanol is as an intermediate between polar and strongly polar molecules. Some physical properties of the methanol-water mixture such as r...

Ten themes of viscous liquid dynamics

The solidity of viscous liquids – their “solid-like-ness” – gives rise to several conjectures, here referred to as themes. We show how these themes point to a general description of equilibrium viscous liquid dynamics at a given temperature. This description is based on standard time-dependent GinzburgLandau equations for the density fields, stress tensor fields, potential energy density field,...

Reaction dynamics during the testing of polymerization catalyst

The olefins polymerization process in a slurry reactor is discussed. The reaction rate dynamics was analyzed and the contributions of feed flow, gas-liquid mass transfer, polymerization reaction, and catalyst deactivation were estimated. The propylene solubility in a solvent mixture “heptane” was calculated using Soave-Redlich-Kwong equation of state. These data were then approximated by Henry-...