2:00 PM–2:00 PM, Monday, March 21, 2005
LACC - Exhibit Hall 2:00-5:00pm
Abstract ID: BAPS.2005.MAR.C1.176
Chun-Chung Chen
Elena E. Dormidontova
(Department of Macromolecular Science and Engineering, Case Western Reserve University, Cleveland, Ohio 44106)
Monte Carlo simulations are applied to study polymers formed through reversible associations of end-functionalized oligomers. The associations are either through donor-acceptor-type complementary bonding or through two-to-one ligand-metal complexation. For donor-acceptor-type reversible polymers, we study the effects of oligomer length, bond stiffness and concentration on the degree of association and ring-chain equilibrium. For the metallo-supramolecular polymers, the effects of the energy of complexation, cooperativity of the ligand-metal bonds, and the metal concentration on the degree of association and average molecular weight are considered. Criteria for obtaining high molecular weight polymers in a broad range of metal concentrations are suggested based on the simulation and analytical results.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2005.MAR.C1.176