Synthesis, structure and properties of hierarchical nanostructured porous materials studied by molecular dynamics simulations
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Authors
Chae, Kisung
Issue Date
2015-05
Type
Electronic thesis
Thesis
Thesis
Language
ENG
Keywords
Materials engineering
Alternative Title
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
School of Engineering
Full Citation
Publisher
Rensselaer Polytechnic Institute, Troy, NY