6533b82efe1ef96bd1293106

RESEARCH PRODUCT

Polymer solutions confined in slit-like pores with attractive walls: An off-lattice Monte Carlo study of static properties and chain dynamics

Andrey MilchevKurt Binder

subject

chemistry.chemical_classificationCondensed matter physicsChemistryDiffusionMonte Carlo methodTheta solventPolymerPolymer adsorptionRandom walkComputer Science ApplicationsCondensed Matter::Soft Condensed MatterComputational Theory and MathematicsExcluded volumeRelaxation (physics)General Materials Science

description

Using a bead spring model of flexible polymer chains, the density profiles and chain configurational properties of polymer solutions confined between parallel plates were studied. A wide range of density ϕ, chain length N, and strength e of a short-range attractive wall potential was investigated. Both a temperature T in the good solvent regime (T > θ, θ being the Theta temperature where a chain in unconfined bulk three-dimensional solution would behave ideally) and a temperature in the bad solvent regime (T θ) show a crossover from two-dimensional excluded volume behavior (Rg ∝ N2ν with ν = 3/4) to ideal random walk behavior (ν = 1/2), the relaxation times show effective exponents Zeff (τ ∝ NZ eff) that clearly deviate from the Rouse prediction in concentrated confined solutions.

yearjournalcountryeditionlanguage
1996-03-01Journal of Computer-Aided Materials Design
https://doi.org/10.1007/bf01198659