Molecular Simulation of Adsorption of Gases on Nanotubes
作者： Erich A. Müller
DOI: 10.1007/978-90-481-2481-7_3
关键词:
摘要: Molecular simulation poses a unique advantage as technique to understand the physical phenomena at nanoscale, it provides an utmost level of control over relevant variables. The available molecular methods for modelling adsorption gases in single-walled carbon nanotubes are reviewed. Special emphasis is given low weight within classical (non-quantum) scenarios and overview commonly employed intermolecular potentials, methodologies recent results provided. While characteristics fluids on have some parallels with other adsorbents, their one-dimensional morphology contributes properties described here. Additionally, effect interstitial exohedral discussed.
springer.com
sci-hub.st 参考文章(158)
Sandeep Agnihotri, Pyoungchung Kim, Yijing Zheng, José P. B. Mota, Liangcheng Yang, Regioselective competitive adsorption of water and organic vapor mixtures on pristine single-walled carbon nanotube bundles. Langmuir. ,vol. 24, pp. 5746- 5754 ,(2008) , 10.1021/LA7036197
Itsuo Hanasaki, Akihiro Nakatani, Hydrogen bond dynamics and microscopic structure of confined water inside carbon nanotubes. Journal of Chemical Physics. ,vol. 124, pp. 174714- 174714 ,(2006) , 10.1063/1.2194540
C Liu, YY Fan, M Liu, HT Cong, HM Cheng, Ms S Dresselhaus, Hydrogen Storage in Single-Walled Carbon Nanotubes at Room Temperature Science. ,vol. 286, pp. 1127- 1129 ,(1999) , 10.1126/SCIENCE.286.5442.1127
Giancarlo Cicero, Jeffrey C. Grossman, Eric Schwegler, Francois Gygi, Giulia Galli, Water Confined in Nanotubes and between Graphene Sheets: A First Principle Study Journal of the American Chemical Society. ,vol. 130, pp. 1871- 1878 ,(2008) , 10.1021/JA074418+
Jianwen Jiang, Stanley I. Sandler, Nitrogen and oxygen mixture adsorption on carbon nanotube bundles from molecular simulation. Langmuir. ,vol. 20, pp. 10910- 10918 ,(2004) , 10.1021/LA0492254
MC Gordillo, J Marti, Water on the outside of carbon nanotube bundles Physical Review B. ,vol. 67, pp. 205425- ,(2003) , 10.1103/PHYSREVB.67.205425
TINA DÜREN, FRERICH J. KEIL, NIGEL A. SEATON, Molecular simulation of adsorption and transport diffusion of model fluids in carbon nanotubes Molecular Physics. ,vol. 100, pp. 3741- 3751 ,(2002) , 10.1080/0026897021000028429
Yi Lin, Shelby Taylor, Huaping Li, K. A. Shiral Fernando, Liangwei Qu, Wei Wang, Lingrong Gu, Bing Zhou, Ya-Ping Sun, Advances toward bioapplications of carbon nanotubes Journal of Materials Chemistry. ,vol. 14, pp. 527- 541 ,(2004) , 10.1039/B314481J
Alessio Alexiadis, Stavros Kassinos, The density of water in carbon nanotubes Chemical Engineering Science. ,vol. 63, pp. 2047- 2056 ,(2008) , 10.1016/J.CES.2007.12.035
Tamsyn A. Hilder, James M. Hill, Carbon nanotubes as drug delivery nanocapsules Current Applied Physics. ,vol. 8, pp. 258- 261 ,(2008) , 10.1016/J.CAP.2007.10.011