Relating monomer to centre-of-mass distribution functions in polymer solutions
Department of Chemistry, University of Cambridge
Lensfield Road, Cambridge CB2 1EW, UK
Accepted: 21 January 2002
A relationship between the measurable monomer-monomer structure factor, and the centre-of-mass (CM) structure factor of dilute or semi-dilute polymer solutions is derived from Ornstein-Zernike relations within the “polymer reference interaction site model” (PRISM) formalism, by considering the CM of each polymer as an auxiliary site and neglecting direct correlations between the latter and the CM and monomers of neighbouring polymers. The predictions agree well with Monte Carlo data for self-avoiding walk polymers, and are considerably more accurate than the predictions of simple factorization approximations.
PACS: 61.20.Gy – Theory and models of liquid structure / 61.25.Hq – Macromolecular and polymer solutions; polymer melts; swelling / 61.20.Ja – Computer simulation of liquid structure
© EDP Sciences, 2002