Depletion profiles for dilute solutions of linear chains, stars and H-branched molecules by self-consistent field calculations and Monte Carlo simulations
2011
Abstrakt
We have performed self-consistent field (SCF) calculations and Monte Carlo (MC) simulations to analyse the depletion profiles for isolated linear, star-like and H-shaped polymers in good solvent using lattice approximations in both methods. In the SCF approach the intra-molecular excluded-volume effects are accounted for using an approach that resembles Flory's method that leads to the Flory size of the chains.
This gives a major improvement over the classical tanh profile, and becomes much closer to the MC results, provided that a Kuhn length of 1.5 is implemented.