Monte Carlo simulations of lattice models for single polymer systems

Monte Carlo simulations of lattice models for single polymer systems.

Single linear polymer chains in dilute solutions under good solvent conditions are studied by Monte Carlo simulations with the pruned-enriched Rosenbluth method up to the chain length N~O(10(4)). Based on the standard simple cubic lattice model (SCLM) with fixed bond length and the bond fluctuation model (BFM) with bond lengths in a range between 2 and √10, we investigate the conformations of p...

Lattice Monte Carlo simulations of polymer melts.

We use Monte Carlo simulations to study polymer melts consisting of fully flexible and moderately stiff chains in the bond fluctuation model at a volume fraction 0.5. In order to reduce the local density fluctuations, we test a pre-packing process for the preparation of the initial configurations of the polymer melts, before the excluded volume interaction is switched on completely. This proces...

Monte Carlo Simulation of Lattice Polymer Models

Polymers are substances whose molecules have high molar masses and are composed of a large number of repeating units. They occur naturally, and are also produced in large quantities. The materials commonly called plastics are all synthetic polymers. Polymers consist of a large number of units called monomers, which are joined sequentially to form a long chain. Perhaps the simplest polymer is po...

Monte Carlo Lattice Models for Adsorbed Polymer Conformation

Parallel Monte Carlo simulations of Lebwohl-Lasher lattice systems