Monte Carlo simulation of dense polymer systems on a lattice

Abstract

At present the collective motion algorithm is the only Monte Carlo technique which allows the simulation of monodisperse polymer melts on a lattice at a volume fraction of unity. Here we describe the algorithm in detail and show that it fulfils the condition of detailed balance. It yields chain dimensions which are slightly smaller than chain dimensions obtained for polydisperse systems or for systems at volume fractions smaller than unity, as expected. The computational expense to obtain an independent sample containing a constant number of chains increases as about the 3.6th power of chain length.