Modeling Fluid Behavior in Well-Characterized Porous Materials
Journal Article
·
· Accounts of Chemical Research
This is an invited review paper describing recent advances in molecular simulation and theory of fluids confined within well-characterized porous materials. Methods and intermolecular potential models are described. This is followed by showing results for several examples, including supercritical methane adsorption in carbons, adsorption and diffusion of argon in VPI-5, adsorption of argon in silicalite-1, nitrogen adsorption in MCM-41, and adsorption of argon and nitrogen in carbon nanotubes.
- Research Organization:
- Cornell University, Ithaca, NY (US)
- Sponsoring Organization:
- USDOE Office of Energy Research (ER) (US)
- DOE Contract Number:
- FG02-88ER13974
- OSTI ID:
- 834675
- Journal Information:
- Accounts of Chemical Research, Vol. 28, Issue 281; Other Information: PBD: 1 Jan 1995; ISSN 0001-4842
- Country of Publication:
- United States
- Language:
- English
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