Influence of solvent quality on polymer solutions: a Monte Carlo study of bulk and interfacial properties

J Chem Phys. 2004 Jul 1;121(1):612-20. doi: 10.1063/1.1756571.

Abstract

The effect of solvent quality on dilute and semidilute regimes of polymers in solution is studied by means of Monte Carlo simulations. The equation of state, adsorption near a hard wall, wall-polymer surface tension, and effective depletion potential are all calculated as a function of concentration and solvent quality. We find important differences between polymers in good and theta solvents. In the dilute regime, the physical properties for polymers in a theta solvent closely resemble those of ideal polymers. In the semidilute regime, however, significant differences are found.