Colloids dispersed in polymer solutions. A computer simulation study
J. Chem. Phys. , Volume 100 p. 6873- 6887
We report a computer-simulation study of a simple model for a colloid dispersed in a polymer solution. The simulations were performed using a computational scheme that allows simulation at constant osmotic pressure of the polymers. We present results for the polymer-induced interaction, the equation-of-state, and the phase diagram. The simulations show that when the radius of gyration of the polymers Rg is sufficiently large compared to the diameter of the colloidal particles scol (2Rg/scolŽO.45), addition of polymer induces a colloidal "liquid-vapor" phase separation. For shorter polymers, only the solid-fluid transition is observed. In addition, we find that the nonpairwise additivity of the polymer-induced attraction between the colloidal particles has a pronounced effect on the equation-of-state and the phase behavior of a colloid-polymer mixture. The perturbation theory of Lekkerkerker et aL [Europhys. Lett. 20, 559 (1992)] is found to perform well, except at low densities.
|J. Chem. Phys.|
Meijer, E. J, & Frenkel, D. (1994). Colloids dispersed in polymer solutions. A computer simulation study. J. Chem. Phys., 100, 6873–6887.