40 citations · 86 across the 5 of their papers we have counts for
13 papers · 1 filter
Modeling Solution Drying by Moving a Liquid-Vapor Interface: Method and Applications
Yanfei Tang, John E. McLaughlan, Gary S. Grest +1
A method of simulating the drying process of a soft matter solution with an implicit solvent model by moving the liquid-vapor interface is applied to various solution films and dro…
Chain Conformations and Phase Separation in Polymer Solutions with Varying Solvent Quality
Yisheng Huang, Shengfeng Cheng
Molecular dynamics simulations are used to investigate the conformations of a single polymer chain, represented by the Kremer-Grest bead-spring model, in a solution with a Lennard-…
On the Nature of Freezing/Melting Water in Ionic Polysulfones
Britannia Vondrasek, Chengyuan Wen, Shengfeng Cheng +2
We investigate the behavior of hydrated sulfonated polysulfones over a range of ion contents through differential scanning calorimetry (DSC), Fourier transform infrared spectroscop…
Hydration, Ion Distribution, and Ionic Network Formation in Sulfonated Poly(arylene ether sulfones)
Britannia Vondrasek, Chengyuan Wen, Shengfeng Cheng +2
We use molecular dynamics simulations to probe hydration, ion spacing, and cation-anion interaction in two sulfonated polysulfones with different ion distributions along the polyme…
Polymerization of Branched Polyetherimides: Comparison between Monte Carlo Simulation and Flory-Stockmayer Theory
Chengyuan Wen, Roy Odle, Shengfeng Cheng
A Monte Carlo (MC) simulation method based on the Gillespie algorithm is developed for the polymerization of branched polyetherimides from two back-bone monomers [4,4'-bisphenol A…
Stratification of drying particle suspensions: Comparison of implicit and explicit solvent simulations
Yanfei Tang, Gary S. Grest, Shengfeng Cheng
Large scale molecular dynamics simulations are used to study drying suspensions of a binary mixture of large and small particles in explicit and implicit solvents. The solvent is f…