Can molecular simulations Be used to predict adsorption on activated carbons?

Langmuir

Volumn 13, Issue 10, 1997, Pages 2822-2824

  Gusev, Vladimir Yu ^a   O'Brien, James A ^a,b  

^a Yale University   (United States)

^b PTT Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000583785     PISSN: 07437463     EISSN: None     Source Type: Journal    
DOI: 10.1021/la960456n     Document Type: Article

References (10)

1. Gusev, V. Yu., O'Brien, J. A.; Seaton, N. A. A Self-Consistent Method for Characterization of Activated Carbons Using Supercritical Adsorption and Grand Canonical Monte-Carlo Simulations. Langmuir 1997, 13, 2815.
2. Lastoskie, C.; Gubbins, K. E.; Quirke, N. Pore Size Distribution Analysis of Microporous Carbons: A Density Functional Theory Approach. J. Phys. Chem. 1993, 97, 4786.
3. Seaton, N. A.; Walton, J. P. R. B.; Quirke, N. A New Analysis Method for the Determination of the Pore Size Distribution of Porous Carbons From Nitrogen Adsorption Measurements. Carbon 1989, 27, 853.
4. Mamleev, V. Sh.; Bekturov, E. A. Improved method for Analysis of Energetic Heterogeneity of Surfaces from Adsorption Isotherms. Langmuir 1996, 12, 441-449.
5. Quirke, N.; Tennison, S. R. The Interpretation of Pore Size Distributions of Microporous Carbons. Carbon 1996, 34, 1281.
6. Fischer, J.; Lustig, R.; Breitenfelder-Manske, H.; Lemming, W. Influence of Intermolecular Potential Parameters on Orthobaric Properties of Fluids Consisting of Spherical and Linear Molecules. Mol. Phys. 1984, 52, 485-497.
7. Steele, W. A. The Interactions of Gases with Solid Surfaces; Pergamon: Oxford, 1974.
8. Lal, M.; Spenser, D. Interactions of Alkanes with Graphite. J. Chem. Soc., Faraday Trans. 2, 1973, 70, 910.
9. Cracknell, R. F.; Nicholson, D.; Quirke, N. A Grand Canonical Monte-Carlo Study of Lennard Jones Mixtures in Slit Pores; 2: Mixtures of Two Center Ethane with Methane. Mol. Simul. 1994, 13, 161-175.
10. Sychev, V. V.; Vasserman, A. A.; Kozlov, A. D.; Zagoruchenko, V. A.; Spiridonov, G. A.; Tsymarny, V. A. Thermodynamic Properties of Ethane; National Standard Reference Data Service of the USSR: 1987.