Static properties of polystyrene in semidilute solutions: A comparison of Monte Carlo simulation and small-angle neutron scattering results
Condensed Matter Physics and Chemistry Department, Risø
National Laboratory DK-4000 Roskilde, Denmark
2 Institut für Polymere, ETH Zürich - CH-8092 Zürich, Switzerland
Accepted: 12 January 1999
Monte Carlo simulations have been performed on a meso-scale polymer model for semiflexible chains and effective polymer-polymer interactions. Simulations were made for different chain lengths at dilute and semidilute concentrations. The correlation length and osmotic compressibility have been determined for the simulations as well as experimentally for polystyrene in d-toluene by small-angle neutron scattering (SANS), and excellent agreement is found. Interpolations of the MC scattering functions fit the SANS data in the full measured range of scattering vectors, demonstrating agreement almost down to atomic level.
PACS: 61.25.Hq – Macromolecular and polymer solutions; polymer melts; swelling / 61.20.Ja – Computer simulation of liquid structure / 61.12.-q – Neutron diffraction and scattering
© EDP Sciences, 1999