Molecular simulation of excess isotherm and excess enthalpy change in gas-phase adsorption

Journal of Physical Chemistry B

Volumn 113, Issue 4, 2009, Pages 1030-1040

  Do, D D ^a   Do, H D ^a   Nicholson, D ^a,b  

^a UNIVERSITY OF QUEENSLAND   (Australia)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ARGON; CARBON DIOXIDE; ENTHALPY; GAS ADSORPTION; GAS DYNAMICS; GASES; GRAPHITE; HELIUM; ISOTHERMS; MOLECULAR STRUCTURE; SUPERCRITICAL FLUID EXTRACTION; SYSTEMS ENGINEERING;

A DENSITIES; ACCESSIBLE VOLUMES; ADSORBED PHASIS; CENTER OF MASS; COMPLEX MOLECULES; CONFINED SPACES; DIFFERENTIAL ENTHALPY OF ADSORPTIONS; ENTHALPY CHANGES; ENTHALPY OF ADSORPTIONS; EXCESS ENTHALPIES; EXCESS ISOTHERMS; EXPERIMENTAL DATUM; GAS DENSITIES; GAS-PHASE; GASEOUS PHASE; GRAPHITE LAYERS; IDEAL GAS; MOLAR ENERGIES; MOLAR VOLUMES; MOLECULAR SIMULATIONS; MONTE CARLO; NEW APPROACHES; OPERATING CONDITIONS; PARTIAL MOLAR ENTHALPIES; POROUS GLASS; SIMULATION BOXES; SOLID STRUCTURES; SUPER-CRITICAL; SUPERCRITICAL CONDITIONS; VOID VOLUMES;

DENSITY OF GASES;

EID: 61949379750     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp8046467     Document Type: Article

References (23)

1. Kaneko, K.; Ishii, C.; Kanoh, H.; Hanzawa, Y.; Setoyama, N.; Suuki, T. Adv. Coll. Int. Surf. Sci 1998, 76, 295.
2. Do, D. D., Adsorption Analysis; Imperial College Press: New Jersey, 1998.
3. (a) Rouquerol, J.; Rouquerol, F.; Sing, K. Adsorption in Porous Solids; Academic Press: New York, 1999.
4. Do, D. D.; Do, H. D.; Nicholson, D. Adsorpt. Sci. Tech. 2007, 25, 347.
5. Arnell, J. C.; Henneberry, G. Can. J. Res. 1948, 26A, 29.
6. Nicholson, D.; Parsonage, N. G., Computer Simulation and the Statistical Mechanics of Adsorption; Academic Press: London, 1982.
7. Hill, T. J. Chem. Phys. 1949, 17, 520.
8. Karavias, F.; Myers, A. Langmuir 1991, 7, 3118.
9. Myers, A.; Calles, J.; Calleja, G. Adsorption 1997, 3, 107.
10. Mittal, J.; Errington, J. R.; Truskett, T. M. Phys. Rev. E 2006, 74, 040102.
11. Allen, M. and Tildesley, D. Computer Simulation of Liquids; Clarendon Press: Oxford, 1987.
12. Harismiadis, V. I.: Vorholz, J.; Panagiotopoulos, A. Z. J. Chem. Phys. 1996, 105, 8469.
13. Lu, N.; Singh, J, K.; Kofke, D. A. J. Chem. Phys. 2003, 118, 2977.
14. Lu, N.; Kofke, D. A.; Woolf, T. J. Comput. Chem. 2003, 25, 28.
15. Kofke, D. Fluid Phase Equilib. 2005, 228, 41.
16. Potoff, J.; Siepmann, J. AIChE J. 2001, 47, 1676-1682.
17. Tjatjopoulos, G. J.; Feke, D. L.; Mann, J. A. J. Phys. Chem. 1988, 92, 4006.
18. Malbrunot, P.; Vidal, D.; Vermesse, J.; Chahine, R.; Bose, T. Langmuir 1992, 8, 577-580.
19. Malbrunot, P.; Vidal, D.; Vermesse, J.; Chahine, R.; Bose, T. Langmuir 1997, 13, 539-544.
20. Gumma, S.; Talu, O Adsorption 2003, 9, 17-28.
21. Do, D. D.: Nicholson, D.; Do, H. D. J. Colloid Interface Sci. 2008, 324, 15.
22. Aoshima, M.; Suzuki, T.; Kaneko, K. Chem. Phys. Lett. 1999, 310, 1.
23. Aoshima, M.; Fukasawa, K.; Kaneko, K. J. Colloid Interface Sci. 2000, 222, 179.