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Computer Simulations of Ionomer Self-Assembly and Dynamics



Moonjoy Goswami, S K. Kumar, Aniket Bhattacharya, Jack F. Douglas


Computer simulations of a model telechelic ionomer, i.e. a melt with a charge at each chain end along with neutralizing counterions, indicate a form of self-assembly that is hybrid between the packing driven interactions in block copolymers and the directional interactions charcteristic of charged systems. As with simple ionic fluids, the thermodynamics of self-assembly is dominated by neutral clusters of charged particles that form multiplets. On the other hand, the mobility of the small molecule counterions are found to be quite sensitive to the dissociated ion species.
May 17, 2007
Communications to the Editor


dipole, glass-formation, ion diffusivity, ionomer, multiplets, self-assembly, thermodynamic transition


Goswami, M. , Kumar, S. , Bhattacharya, A. and Douglas, J. (2007), Computer Simulations of Ionomer Self-Assembly and Dynamics, Macromolecules, [online], (Accessed April 16, 2024)
Created May 16, 2007, Updated October 12, 2021