Collapse transition of a Lennard Jones polymer

Abstract

Using the recently introduced parsimonious Metropolis algorithm bead-stick polymers both with infinite-range Lennard-Jones interaction and with truncation are simulated. The focus lays on determining the Boyle temperature for long chains with thousands of repeat units and on testing for theoretically predicted logarithmic corrections. Subsequently the behavior at the infinite-chain transition temperature, i.e., the $\Theta$-temperature is studied for chains with up to $N = 32768$ repeat units by investigation of the scaling of the end-to-end distance, the radius of gyration, the specific heat, and their derivatives with $N$.