6533b7defe1ef96bd1275b77

RESEARCH PRODUCT

Simulation of Dense Polymer Systems in Two and Three Dimensions

Kurt Binder

subject

chemistry.chemical_classificationMaterials sciencePhase (waves)General Physics and AstronomyStatistical and Nonlinear PhysicsPolymerStride lengthComputer Science ApplicationsPower (physics)Lattice constantComputational Theory and MathematicschemistrySimple (abstract algebra)Statistical physicsBond fluctuation modelMathematical Physics

description

Dense polymer systems are modeled by self- and mutually avoiding walks on lattices. Both simple models where the step length is one lattice spacing and more complicated models where the step length is distinctly longer and may fluctuate (“bond fluctuation model”) are discussed, and it is shown that the computer simulation of such models gives useful insight to understand the thermodynamic phase behavior and the relaxational dynamics of dense polymer solutions and polymer melts. The huge demands in computing power needed for a successful simulation of such systems can be covered by parallel computers such as the multitransputer facility of the University of Mainz.

https://doi.org/10.1142/s0129183191000299