화학공학소재연구정보센터
Journal of Chemical Physics, Vol.109, No.11, 4659-4669, 1998
Integral equation theory of flexible polyelectrolytes. I. Debye-Huckel approach
The polymer reference interaction site model (PRISM) with standard Percus-Yevick (PY) or hypernetted chain (HNC) closure equations is solved numerically for solutions of flexible polyelectrolytes. The monomers interact via a screened Coulomb potential (Debye-Huckel approach). The wormlike form factor characterized by a persistence length is used for the intrachain correlations. The equilibrium and structural results obtained for a large variety of parameters are interpreted in terms of the monomer-monomer interchain pair distribution function and of the structure factor. Issues like the scattered intensity peak position and the osmotic pressure are addressed. The domain within the phase diagram without HNC solutions is also presented.