Molecular simulation of transport through ordered porous channels

In this project, we have simulated the diffusion of a hard sphere fluid inside carbon nanotubes (CNT) of armchair and zig-zag configurations to investigate the transport properties in CNTs. Simulations were carried out using java-based modules that run on deterministic Molecular Dynamics (MD) to det...

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書目詳細資料
主要作者: Chye, Joseph Chee Siong.
其他作者: Kwak Sang Kyu
格式: Final Year Project
語言:English
出版: 2010
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在線閱讀:http://hdl.handle.net/10356/39410
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