|About this Abstract
||NUMIFORM 2019: The 13th International Conference on Numerical Methods in Industrial Forming Processes
||S-14: Composites Forming
||Study of the Flow-induced Orientation and Dispersion of Microcrystalline Cellulose Filled Polymer Composites: A Molecular Dynamics Simulation Approach
||Varun Venoor, Jay Hoon Park, David Kazmer, Margaret J Sobkowicz, Javier Vera-Sorroche, Jo Ann Ratto, Robina Hogan, Thomas Theyson
|On-Site Speaker (Planned)
Microcrystalline cellulose (MCC) is an organic material used in polymer composites that presents significant issues of hygroscope and agglomeration within the polymer matrix. An understanding of structure-property relationship in polymer composites is of paramount importance to create reinforced composites of particular value. Both simulation and experimental observations can address how polymer architecture and resulting morphology impact the viscoelastic properties of photopolymer/filler composite systems. To make progress in understanding the physics of how MCC affect polymer behavior, we will investigate simplified materials composed of microcrystalline cellulose (with and without surface treatment that affects adsorption). We hypothesize that dispersion and orientation of MCC, and thus dynamic mechanical properties, depend significantly on average polymer-particle interaction strength. The strength of the polymer-nanoparticle pairwise interaction is the most critical parameter needed to describe different chemical systems, and comparisons to experimental homopolymer systems will be used to choose appropriate values. Using coarse-grained nonequilibrium molecular dynamics, we intend to study the dynamics of MCC reinforced composites under elongational and shear flow, which affects the dispersion and orientation of the reinforcements.