Michael F. Cuddy II1, Gaurav Pranami2, and Monica H. Lamm2. (1) Eastern Illinois University, Charleston, IL, (2) Iowa State University
Molecular dynamics simulations were conducted to construct a protocol for forming nanoparticles from model bead-spring polymer chains and to calculate the interparticle forces between two such nanoparticles. The systematic procedure developed here can readily be applied to any molecular model, atomistic or mesoscopic. Force and potential energy curves have been obtained for nanoparticles with differing relative orientations in an effort to illustrate the effect of surface chemistry/morphology on nanoparticle interactions. Future work in this area aims to model the forces between polystyrene latex nanoparticles and use these results in Brownian dynamics simulations of nanoparticle aggregation.
Back to Polymer Chemistry General Posters
Back to The 41st Midwest Regional Meeting (October 25-27 2006)