From concentration profiles to polymer osmotic equations of state
Abstract
We show that equilibrium monomer and centre-of-mass concentration profiles of lattice polymers in a gravitational field, computed by Monte-Carlo simulations, provide an accurate and efficient road to the osmotic equation-of-state of polymer solutions, via a straightforward application of the hydrostatic equilibrium condition. The method yields the full equation of state over a wide range of concentrations from a single simulation, and does not suffer from significant finite size effects. It has been applied to self-avoiding walk polymer chains with nearest neighbour monomer attractions, from the good solvent to the theta solvent regimes. The consistency of the method has been carefully checked by varying the strength of the gravitational field.
Keywords
Cite
@article{arxiv.cond-mat/0411319,
title = {From concentration profiles to polymer osmotic equations of state},
author = {C. I. Addison and J. P. Hansen and A. A. Louis},
journal= {arXiv preprint arXiv:cond-mat/0411319},
year = {2007}
}
Comments
Submitted to ChemPhysChem. Special issue in honour of Prof. Michele Parrinello