Influence of quantum effects on the mechanism of adsorption and phase diagram of rare gases in carbon nanotubes

Adsorption

Volumn 14, Issue 4-5, 2008, Pages 719-726

  Firlej, L ^a   Kuchta, B ^b  

^a UNIVERSITÉ MONTPELLIER 2   (France)

^b AIX MARSEILLE UNIVERSITY   (France)

Author keywords

Adsorption mechanism; Molecular modeling; Phase diagram; Quantum effects; Surface heterogeneity

Indexed keywords

ADSORPTION; ATOMIC PHYSICS; ATOMS; CARBON; DIFFRACTIVE OPTICAL ELEMENTS; FLOW INTERACTIONS; GAS ADSORPTION; HELIUM; INERT GASES; KRYPTON; MELTING POINT; MONTE CARLO METHODS; MOSFET DEVICES; NANOCOMPOSITES; NANOPORES; NANOSTRUCTURED MATERIALS; NANOSTRUCTURES; NANOTECHNOLOGY; NANOTUBES; NEON; NONMETALS; PHASE DIAGRAMS; QUANTUM ELECTRONICS; QUANTUM THEORY; SEMICONDUCTOR QUANTUM WIRES; STEREOCHEMISTRY; TUBES (COMPONENTS); XENON;

ADSORPTION MECHANISM; ATOMIC ROUGHNESS; ATOMIC STRUCTURES; GRAND CANONICAL MONTE CARLO SIMULATIONS; INTERACTION MODELING; MELTING TEMPERATURE; MOLECULAR MODELING; OUTER SURFACE; PHASE DIAGRAM; QUANTUM EFFECTS; SURFACE HETEROGENEITY;

CARBON NANOTUBES;

EID: 51849152049     PISSN: 09295607     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10450-008-9109-x     Document Type: Article

References (24)

1. Bojan, M.J., Steele, W.A.: Computer simulation of physisorption on a heterogeneous surface. Surf. Sc. Lett. 199, L395-L402 (1988)
2. Coasne, B., Galarneau, A., Di Renzo, F., Pellenq, R.J.M.: Gas adsorption in mesoporous templated silicas: MCM-41, MCM-48 and SBA-15. Langmuir 22, 11097-11105 (2006)
3. Feymann, R.P.: Statistical Mechanics. Benjamin, New York (1972)
4. Feymann, R.P., Hibbs, A.: Quantum Mechanics and Path Integrals. McGraw-Hill, New York (1965)
5. Firlej, L., Kuchta, B.: Low temperature phases of rare gases adsorbed on single wall carbon nanotubes. J. Low Temp. Phys. 139, 599 (2005)
6. He, Y.F., Seaton, N.A.: Experimental and computer simulation studies of the adsorption of ethane, carbon dioxide, and their binary mixtures in MCM-41. Langmuir 19, 10132-10138 (2003)
7. Kowalczyk, P., Tanaka, H., Holyst, R., Kaneko, K., Ohmori, T., Miyamoto, J.: Storage of hydrogen at 303 K in graphite slitlike pores from grand canonical Monte Carlo simulation. J. Phys. Chem. B 109, 17174 (2005)
8. Kuchta, B., Llewellyn, P., Denoyel, R., Firlej, L.: Modeling of pore wall amorphous structures: influence of wall heterogeneity on the mechanism of adsorption. Krypton and argon adsorption in MCM-41 pore model. Colloids Surf. A: Physicochem. Eng. Asp. 241, 137-142 (2004)
9. Kuchta, B., Firlej, L., Boulet, P., Marzec, M.: Adsorption in cylindrical pores: mixed lattice-site/off-site Monte Carlo simulations in pores with heterogeneous wall structure. Appl. Surf. Sci. (2007, in press)
10. Lasjaunias, J.C., Biljakovic, K., Benes, Z., Fischer, J.E., Monceau, P.: Low temperature specific heat of single-wall carbon nanotube. Phys. Rev. B 65, 113409-113412 (2002)
11. Lasjaunias, J.C., Biljakovic, K., Sauvajol, J.L., Monceau, P.: Evidence of 1D behavior of He4 confined within carbon nanotube bundles? Phys. Rev. Lett. 91, 25901-25904 (2003)
12. Maddox, M.W., Olivier, J.P., Gubbins, K.E.: Characterization of MCM-41 using molecular simulation: heterogeneity effect. Langmuir 13, 1737-1745 (1997)
13. Ravikovitch, P.I., Neimark, A.V.: Density functional theory model of adsorption on amorphous and microporous silica materials. Langmuir 22, 11171-11176 (2006)
14. Ravikovitch, P.I., Vishnyakov, A., Neimark, A.V., Ribero Carrott, M.M.L., Russo, P.A., Carrot, P.J.: Characterization of micro-porous materials from nitrogen and toluene adsorption: experiment and modeling. Langmuir 22, 513-516 (2006)
15. Sese, L.M.: Study of the Feymann-Hibbs effective potential against the path integral formalism for Monte Carlo simulations of quantum many-body Lennard-Jonnes systems. Mol. Phys. 81, 1297-1312 (1994)
16. Sese, L.M.: Feymann-Hibbs potentials and path integrals formalism for quantum Lennard-Jonnes systems: theory and Monte Carlo simulations. Mol. Phys. 85, 931-947 (1995)
17. Shi, W., Johnson, J.K.: Gas adsorption on heterogeneous single-walled carbon nanotube bundles. Phys. Rev. Lett. 91, 015504 (2003)
18. Steele, W.A.: Interaction of rare-gas atoms with graphitized carbon-black. J. Phys. Chem. 82, 817-821 (1978)
19. Tanaka, H., Kanoh, H., Yudasaka, M., Iijima, S., Kaneko, K.: Quantum effects on hydrogen isotope adsorption on single-wall carbon nanohorns. J. Am. Chem. Soc. 127, 7511 (2005)
20. Teizer, W., Hallock, R.B., Dujardin, E., Ebbesen, T.W.: He-4 desorption from single wall carbon nanotube bundles: a one-dimensional adsorbate. Phys. Rev. Lett. 82, 5305-5308 (1999)
21. Teizer, W., Hallock, R.B., Dujardin, E., Ebbesen, T.W.: Erratum: 4He desorption from single wall carbon nanotube bundles: a one-dimensional adsorbate [Phys. Rev. Lett. 82, 5305 (1999)]. Phys. Rev. Lett. 84, 1844-1845 (2000)
22. Vuong, T.Y.F., Monson, P.A.: Surface roughness effects in molecular models of adsorption in heterogeneous porous solids. Langmuir 14, 4880-4886 (1998)
23. Wang, Q., Johnson, J.K.: Phase equilibrium of quantum fluids from simulation: hydrogen and neon. Fluid Phase Equilib. 132, 93-116 (1997)
24. Wang, Q., Johnson, J.K.: Molecular simulation of hydrogen adsorption in single-walled carbon nanotubes and idealized carbon slit pores. J. Chem. Phys. 110, 577-586 (1999)