Publications

Self-consistent integral equation theory for polyolefins: Comparison to molecular dynamics simulations and X-ray scattering

Pütz, Mathias; Curro, John G.; Grest, Gary S.

The effect of polymer architecture on macroscopic properties were investigated using the self-consistent integral equation theory. Using several types of polyolefin polymers, the results obtained using the self consistent polymer reference interaction site model (PRISM) and molecular dynamics (MD) simulations were compared. The results from the two methods were then compared with experimental X ray scattering data.