文摘
We used molecular dynamics simulations and experiments to study the rheology of polymer鈥揷lay nanocomposite hydrogels. The molecular dynamics simulations studied the formation of physical cross-linked networks as a function of the clay concentration. Simulations showed that while the local structure changed from isolated polymer鈥揷lay clusters to a percolating network with increasing clay concentration the networks were only able to sustain stress at concentrations of roughly 1.5 times the percolation transition. Experiments using poly(N-isopropylacrylamide) (PNIPA)鈥揷lay nanocomposites at different clay concentrations were compared with simulation results. Experiments showed a transition from viscous to gel like behavior at a clay concentration of 15.24g/L, in good agreement with simulations. The modulus, G鈥?and G鈥? prior to yield was observed to increase exponentially with clay concentration and G鈥?at yield could be fitted to the modified Mooney鈥檚 equation.