Rheological behavior of aqueous polyacrylamide solutions determined by dissipative particle dynamics and comparison to experiments
IFP Energies nouvelles - 1 et 4 Avenue de Bois-Préau, 92852 Rueil-Malmaison, France, EU
2 Laboratoire de Chimie Physique, UMR 8000 CNRS, Université Paris-Sud - 91405 Orsay Cedex, France, EU
Accepted: 2 January 2012
Based on molecular-dynamics simulations and experimental data, a new coarse-grained forcefield is proposed for the polyacrylamide (PAM)-water system that allows to study dynamical properties of chains at several concentrations with molecular weight up to 17000 g/mol. Non-equilibrium simulations were used to compute relative viscosities, enabling a direct comparison with experimental values. High-shear-rate measurements for low-molecular-weight PAM (10000 g/mol) were done using a microfluidic rheometer Rheosense to decrease the gap between experimental and simulated shear rates. DPD simulations reproduced qualitatively and quantitatively structural properties as well as rheological properties in the dilute regime and qualitatively in the semi-dilute regime.
PACS: 47.57.Ng – Polymers and polymer solutions
© EPLA, 2012