Theoretical and computational tools for predicting colloidal gelation and arrest phenomena
Abstract/Contents
- Abstract
- The purpose of this thesis work is to develop a new set of theoretical and computational tools that will accurately predict lines of gelation in a colloidal phase diagram for suspensions of hard spheres of arbitrary size polydispersity, as a general model for gelation behavior in more complex colloidal materials. Although our algorithmic approach, results, and toolkit is generally valid for a wide range of colloidal systems, framework was constructed, tested, and validated for a specific laboratory material developed by the Helgeson Laboratory at the University of California - Santa Barbara. We demonstrated a powerful coupling between theory, simulation and experiment that can be utilized to construct a computational model that faithfully represents the particle-scale interactions and resulting macroscopic phase behavior of a real laboratory material. This thesis is divided into three parts. First, we present a novel computational technique for extracting the detailed interactive potential between individual colloids from experimental data (Chapter 3). The result of this effort is construction of an analytical potential that accurately responds to temperature to produce gelation that matches the experimental system. Next, in Chapter 4, we use our method to expand the phase diagram, identifying lines of percolation and vitrification for a range of system potentials. Finally, we demonstrate a new algorithm to reverse-engineer a gel into a computational model (Chapter 5). The algorithm uses microscopy data from experiments to construct a detailed map of the gel, with the crucial step of representing interconnected void networks. This model is the first to accurately obtain the interconnected void structure key to modeling porous structure such as in additively manufactured or biological materials. Overall, these results establish a theoretical and computational toolset for predicting colloidal gelation that matches laboratory experiments. We envision use of these tools to exploit repeated quenching and annealing to achieve exotic new microstructures that improve performance of colloidal solids and discover novel materials.
Description
| Type of resource | text |
|---|---|
| Form | electronic resource; remote; computer; online resource |
| Extent | 1 online resource. |
| Place | California |
| Place | [Stanford, California] |
| Publisher | [Stanford University] |
| Copyright date | 2022; ©2022 |
| Publication date | 2022; 2022 |
| Issuance | monographic |
| Language | English |
Creators/Contributors
| Author | Ryu, Brian Kang |
|---|---|
| Degree supervisor | Zia, Roseanna |
| Thesis advisor | Zia, Roseanna |
| Thesis advisor | DeSimone, Joseph M |
| Thesis advisor | Shaqfeh, Eric S. G. (Eric Stefan Garrido) |
| Degree committee member | DeSimone, Joseph M |
| Degree committee member | Shaqfeh, Eric S. G. (Eric Stefan Garrido) |
| Associated with | Stanford University, Department of Chemical Engineering |
Subjects
| Genre | Theses |
|---|---|
| Genre | Text |
Bibliographic information
| Statement of responsibility | Brian Kang Ryu. |
|---|---|
| Note | Submitted to the Department of Chemical Engineering. |
| Thesis | Thesis Ph.D. Stanford University 2022. |
| Location | https://purl.stanford.edu/ny053dx9535 |
Access conditions
- Copyright
- © 2022 by Brian Kang Ryu
- License
- This work is licensed under a Creative Commons Attribution Non Commercial 3.0 Unported license (CC BY-NC).
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