Journal of Chemical Physics, Vol.110, No.1, 676-681, 1999
Conformational properties of isolated polyelectrolytes in poor solvents
The conformational behavior of isolated polyelectrolytes in poor solvents is investigated using theory and computer simulation. DiMarzio's approach for the collapse transition in neutral polymers is extended to uniformly charged polymers [E. A. diMarzio, Macromolecules 17, 969 (1984)]. The theory predicts a discontinuous collapse transition with decreasing solvent quality in highly charged polymers. A discontinuous collapse transition is also observed when the charge fraction is decreased in very poor solvents. Monte Carlo simulations are reported for the collapse transition in a lattice model of polyelectrolytes. Under some conditions the distribution of polymer size is bimodal, consistent with the theory.
Keywords:ANGLE NEUTRON-SCATTERING;COLLAPSE TRANSITION;POLYMER-SOLUTIONS;MONTE-CARLO;CHAIN;POLYAMPHOLYTES;INSTABILITIES;BEHAVIOR