271e Structure and Elasticity of Polymer-Nanoparticle Gels

Megha Surve1, Victor Pryamitsyn1, and Venkat Ganesan2. (1) Chemical Engineering, University of Texas at Austin, Department of Chemical Engineering, C0400, Austin, TX 78712, (2) Department of Chemical Engineering, The University of Texas at Austin, 1 University Station, Code C0400, Austin, TX 78712

In the present talk, we propose a combination of polymer self consistent field theory and off-lattice Monte Carlo simulations to study gelation in the mixtures of nanoparticles and adsorbing polymer. We quantify the polymer conformational statistics and polymer induced ‘effective' interactions by solving the polymer field theoretic equations numerically. Subsequently, the formation, structure and elastic properties of polymer bridging induced gels of particles are examined by implementing Monte Carlo simulations in combination with graph theory. In the present talk, we present our results on the percolation thresholds, fractal dimensions and elastic moduli and the effect of different physical parameters such as relative sizes of polymer and particles, polymer concentration and adsorption strength on the structure and elasticity of polymer bridged gels of particles. Our results show a good agreement with the experimental results for polymer-particle mixtures and suggest a possible framework for experimentally distinguishing the mechanisms of gelation phenomena in polymer-particle mixtures.