POLYMER-CHAIN COLLAPSE NEAR THE LOWER CRITICAL SOLUTION TEMPERATURE

We report for the first time by computer simulations, evidence of poly mer chain collapse near a lower critical solution temperature (LCST). Continuous space, Monte Carlo simulations have been performed on freel y jointed, Lennard-Jones chains in a LJ monomeric solvent with symmetr ic energetics. The LCST phase boundary and associated chain collapse i n the supercritical solvent region has been established for chains of size 20. This Letter focuses on why the chain collapses near a LCST. ( C) 1997 Published by Elsevier Science B.V.