Date of Award
Spring 2020
Degree Type
Dissertation
Degree Name
Doctor of Philosophy (PhD)
School
Polymer Science and Engineering
Committee Chair
Dr. Sergei Nazarenko
Committee Chair School
Polymer Science and Engineering
Committee Member 2
Dr. Gopinath Subramanian
Committee Member 3
Dr. Manoj Shukla
Committee Member 4
Dr. Derek Patton
Committee Member 4 School
Polymer Science and Engineering
Committee Member 5
Dr. Jeffrey Wiggins
Committee Member 5 School
Polymer Science and Engineering
Committee Member 6
Dr. Ras Pandey
Committee Member 6 School
Mathematics and Natural Sciences
Abstract
Polymers have potential for a wide range of applications. The effectiveness of polymers can be further enhanced through the addition of nanofillers that improve thermal, mechanical, and electrical properties of the polymer. Carbon based nanofillers such as carbon nanotube (CNT), graphene, and carbon nanofibre (CNF) are of particular interest due to their high properties and high aspect ratios. However, limited understanding of the governing interactions of these nanofillers with polymers limits the effectiveness of the final nanocomposite.
The first facet of this dissertation focuses on determining the dominating interactions between pristine CNT and graphene with nylon 6 monomer and the roles defects play in that interaction. Chapter III focuses on the effects of functionalization of CNT and graphene on their material properties and the dominating interactions. Chapter IV analyzes the relationship between the strength of interaction with nylon 6 and the nanofillers with the resulting effect on the nanocomposite’s Young’s modulus.
Chapter II effectively shows that van der Waals interactions dominate the complex formation of graphene with CNT and with nylon 6. CNT is found to interact more strongly with graphene than with itself, indicating the potential for graphene as a CNT dispersant. It is also shown that the presence of a defect in CNT reduces possible interactions with graphene and nylon 6 but the presence of a defect on graphene has no effect on interactions. Chapter III reveals that functionalization of CNT and graphene improves interaction strength of the CNT-graphene complex and highlights the reduction in Young’s modulus as a result of the functionalization. Chapter IV shows that stronger interactions with nylon 6 results in better improvement of Young’s modulus of nylon 6 nanocomposite where the CNT-graphene complex had the best improvement of the original polymer.
Copyright
Roth, 2020
Recommended Citation
Roth, Michael, "An Atomistic Study of the Effects on Mechanical Properties and Bonding Interactions of Carbon Nanofillers in Nylon 6 Nanocomposites" (2020). Dissertations. 1743.
https://aquila.usm.edu/dissertations/1743