Phase Behavior of Ionic Block Copolymers Studied by a Minimal Lattice Model with Short-Range Interactions
P. Knychała1 , M. Dzięcielski1 , M. Banaszak1 , N. P. Balsara2
1 Faculty of Physics, Adam Mickiewicz University, Umultowska 85, 61-614, Poznan, Poland
2 Department of Chemical Engineering University of California, Berkeley, California 94720
Macromolecules, 46 (14), pp 5724–5730 (2013)
We present the results of Monte Carlo lattice simulations of a model symmetric diblock copolymer wherein a fraction of segments of one block, p, corresponds to ionic species, and the other block does not contain ions. We use experimentally determined Flory–Huggins interaction parameters, χ, to quantify the interactions between ionic and nonionic monomers. Analysis of the experimental data indicate that χ between poly(styrenesulfonate) and polystyrene is about 5, a value that is orders of magnitude larger than that obtained in mixtures of nonionic polymers. Our model predicts that clustering of ionic monomers in the disordered state results in stabilization of the disordered phase and the product p2χN is well above the mean-field value of 10.5 at the order–disorder transition (N is the total number of monomers per chain). Network morphologies and hexagonally packed cylinders are observed in the ordered state at large p values while more traditional lamellar phases are found at small values of p.