Dissipative Particle Dynamics (DPD) Simulations of Polymer-Filler Blends: Investigating the Dispersion and Hierarchical Structure formation in Polymer Nanocomposites

Title

Dissipative Particle Dynamics (DPD) Simulations of Polymer-Filler Blends: Investigating the Dispersion and Hierarchical Structure formation in Polymer Nanocomposites

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Description

Polymeric systems are modified routinely by addition of inorganic nanoparticles for enhanced properties and functionality. Such nanocomposites may contain fillers of varying miscibility, such as carbon black, silica, metal oxide, pigments, and /or various combinations thereof. However, on main impediment in the development of high-performance polymer nanocomposites (PNCs) are to realize a good dispersion of nanoparticles, owing to the strong interparticle interactions and weak polymer-nanoparticle interfacial interactions. Hence, the state of dispersion of the polymers and fillers is crucial to the behavior of polymer nanocomposites. To address this issue, in this research, we perform Dissipative Particle Dynamics (DPD) simulation of these blends, varying polymer-polymer, filler-filler and polymer-filler interaction energy, to understand the hierarchical structure and dispersion over multiple length and time-scales. In addition, the simulation results are also validated experimentally through small angle x-ray scattering data to provide insight and understanding of how these complex structures develops in these multicomponent systems.

Publication Date

4-24-2019

Project Designation

Graduate Research

Primary Advisor

Vikram Krishna Kuppa

Primary Advisor's Department

Materialography and Analytics

Keywords

Stander Symposium poster

Comments

Presenter: Ashish Gogia

Dissipative Particle Dynamics (DPD) Simulations of Polymer-Filler Blends: Investigating the Dispersion and Hierarchical Structure formation in Polymer Nanocomposites

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