Synthesis, structure and properties of hierarchical nanostructured porous materials studied by molecular dynamics simulations

Authors
Chae, Kisung
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Other Contributors
Huang, Liping
Shi, Yunfeng
Meunier, Vincent
Garde, Shekhar
Issue Date
2015-05
Keywords
Materials engineering
Degree
PhD
Terms of Use
This electronic version is a licensed copy owned by Rensselaer Polytechnic Institute, Troy, NY. Copyright of original work retained by author.
Full Citation
Abstract
We first developed a unique computational nanocasting approach in MD to mimic the synthesis of HNPCs with both mesopores from the templating and micropores from the direct quench of carbon source in MD. Mesoporous structure such as the pore size and the pore wall roughness as well as the microporous structure such as the density and the graphitic pore walls can be independently controlled by synthesis parameters, such as the size of the template, the interaction strength between the template and carbon source, the initial carbon density and the quench rate, respectively.
Description
May 2015
School of Engineering
Department
Dept. of Materials Science and Engineering
Publisher
Rensselaer Polytechnic Institute, Troy, NY
Relationships
Rensselaer Theses and Dissertations Online Collection
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