Simulated phase behavior of reversibly assembled polymers

We perform molecular dynamics simulations to model the self-organization an d phase behavior of reversibly aggregated linear model polymers. In our mod el the monomers interact via a Lennard-Jones-type potential with anisotropi c attraction. In addition to the usual Lennard-Jones parameters the monomer s are characterized by a unit vector assigning an orientation to each monom er. Our model potential allows one to control the monomer coupling and thus the aggregate flexibility. We examine the dependence of the polymer length distribution and the orientational as well as the translational ordering o n monomer density, chain flexibility, and temperature. (C) 2000 American In stitute of Physics. [S0021-9606(00)51515-3].