Date of Award
2020
Document Type
Masters Thesis
Degree Name
M. S.
Organizational Unit
Daniel Felix Ritchie School of Engineering and Computer Science, Mechanical and Materials Engineering
First Advisor
Maciej Kumosa
Second Advisor
Sandra S. Eaton
Third Advisor
Joe Hoffman
Fourth Advisor
Paul Predecki
Keywords
Graphene composites, Molecular dynamics, Polymer composites
Abstract
Due to its unique physical properties, graphene has shown great promise as an additive to Polymer Matrix Composites (PMCs) for material property enhancement. Achieving homogeneous dispersion of the graphene platelets within a polymeric network is critical to realizing these enhancements. Research has shown that achieving homogeneous dispersion of graphene platelets within PMCs is challenging as graphene is immiscible with most polymeric networks. This work used Molecular Dynamics (MD) simulations to demonstrate dispersion of graphene platelets within PMCs is inhibited by molecular surface charge potentials. Further simulations were conducted to demonstrate functionalized forms of graphene, specifically graphene oxide, have altered surface charge potentials which render them miscible within PMCs. To quantify the effect of platelet dispersion, a method of estimating Young’s modulus by micro-mechanical approximations was examined. Functionalized forms of graphene are preferable for use as reinforcement in PMCs, both in terms of generating a consistent homogenous material and in the feasibility of large-scale manufacturing of the material.
Publication Statement
Copyright is held by the author. User is responsible for all copyright compliance.
Rights Holder
Matthew Alan Reil
Provenance
Received from ProQuest
File Format
application/pdf
Language
en
File Size
86 p.
Recommended Citation
Reil, Matthew Alan, "Graphene/Oxide Interactions with Polymer Networks Modeled Using Molecular Dynamics" (2020). Electronic Theses and Dissertations. 1830.
https://digitalcommons.du.edu/etd/1830
Copyright date
2020
Discipline
Materials Science, Nanotechnology