Date of Award
5-2025
Degree Type
Dissertation
Degree Name
Doctor of Philosophy (PhD)
School
Polymer Science and Engineering
Committee Chair
Sergei Nazarenko
Committee Chair School
Polymer Science and Engineering
Committee Member 2
Xiaodan Gu
Committee Member 2 School
Polymer Science and Engineering
Committee Member 3
James Rawlins
Committee Member 3 School
Polymer Science and Engineering
Committee Member 4
Jeffrey Wiggins
Committee Member 4 School
Polymer Science and Engineering
Committee Member 5
Brian Olson
Committee Member 5 School
Polymer Science and Engineering
Committee Member 6
Boran Ma
Committee Member 6 School
Polymer Science and Engineering
Abstract
While extensive research has been conducted on dendritic polymers, our understanding remains limited when it comes to networks based on 2,2-bis(hydroxymethyl) propionic acid (bis-MPA), particularly in relation to their unique hydrogen bonding organization. This work aims to provide key insights into the fundamental behaviors of these materials, shedding light on their bulk structure-property relationships, dielectric properties, and the effects of generational growth.
CHAPTER I provides background on dendritic polymers, with a particular focus on those based on bis-MPA, the formation of hydrogen bonding and H-bonded clusters, and a brief introduction to dielectric spectroscopy. CHAPTER II presents an overview of molecular dynamics simulations, detailing the fundamental methodologies, including theoretical frameworks, computational techniques, and key parameters relevant to modeling polymers and their interactions.
CHAPTER III compares the bulk structure-property relationships of second-generation bis-MPA-based dendrimers with those of a chemically similar but hyperbranched polymer. CHAPTER IV investigates the dielectric properties of second-generation bis-MPA-based dendrimers, along with preliminary studies on the effects of humidity on these systems and collaborative research on zwitterions as supramolecular binding motifs for dielectric applications. CHAPTER V explores the impact of increasing generation numbers in bis-MPA-based dendrimers using both experimental and computational approaches. CHAPTER VI expands the focus of this study into an investigation of the Us-Up shock Hugoniots of two distinct polyisobutylene (PIB) systems: an unoriented (isotropic) PIB and an oriented (anisotropic) PIB, where polymer chains are aligned in the direction of shockwave propagation Finally, CHAPTER VII offers a brief summary of the work herein, and identifies a few key areas for future research.
ORCID ID
https://orcid.org/0000-0002-2294-8615
Copyright
Samantha Daymon, 2025
Recommended Citation
Daymon, Samantha, "A Dual Experimental and Computational Approach to Designing Polymer for Performance Enhancement: Exploring Structure-Property Relationships and Shockwave Dynamics" (2025). Dissertations. 2357.
https://aquila.usm.edu/dissertations/2357