| Publication Type |
dissertation |
| School or College |
College of Engineering |
| Department |
Chemical Engineering |
| Author |
Knox, Craig K |
| Title |
Comparing selected morphological models of hydrated nafion using large scale molecular dynamics simulations |
| Date |
2010-12 |
| Description |
Experimental elucidation of the nanoscale structure of hydrated Nafion, the most popular polymer electrolyte or proton exchange membrane (PEM) to date, and its influence on macroscopic proton conductance is particularly challenging. While it is generally agreed that hydrated Nafion is organized into distinct hydrophilic domains or clusters within a hydrophobic matrix, the geometry and length scale of these domains continues to be debated. For example, at least half a dozen different domain shapes, ranging from spheres to cylinders, have been proposed based on experimental SAXS and SANS studies. Since the characteristic length scale of these domains is believed to be ~2 to 5 nm, very large molecular dynamics (MD) simulations are needed to accurately probe the structure and morphology of these domains, especially their connectivity and percolation phenomena at varying water content. |
| Type |
Text |
| Publisher |
University of Utah |
| Subject |
Morphology; Nafion; Polymer; Polymer electrolyte; Proton transport |
| Subject LCSH |
Polyelectrolytes - Structure; Molecular dynamics |
| Dissertation Institution |
University of Utah |
| Dissertation Name |
PhD |
| Language |
eng |
| Rights Management |
© Craig K. Knox |
| Format Medium |
application/pdf |
| Format Extent |
6,677,316 bytes |
| Source |
Original in Marriott Library Special Collections, QD3.5 2010 .K66 |
| ARK |
ark:/87278/s60p1djx |
| Setname |
ir_etd |
| ID |
192734 |
| Reference URL |
https://collections.lib.utah.edu/ark:/87278/s60p1djx |
