Journal of Chemical Physics, Vol.116, No.24, 10959-10966, 2002
Lattice polymers with structured monomers: A Monte Carlo study of thermodynamic properties of melts and solutions
The influence of monomer structure on the thermodynamic properties of polymer melts and solutions is explored in Monte Carlo computations. The internal energy, the specific heat, and the chemical potential are determined for united atom lattice models of polyethylene, polypropylene, polyethylethylene, and polyisobutylene, all with M = 60 united atom groups. Computations are performed for a range of melt volume fractions 0