A Monte Carlo integration method to determine accessible volume, accessible surface area and its fractal dimension

Journal of Colloid and Interface Science

Volumn 348, Issue 2, 2010, Pages 529-536

  Herrera, L ^a   Do, D D ^a   Nicholson, D ^a  

^a UNIVERSITY OF QUEENSLAND   (Australia)

Author keywords

Accessible area; Accessible volume; Adsorption; Fractal dimensions; Monte Carlo integration

Indexed keywords

ACCESSIBLE AREA; ACCESSIBLE SURFACE AREAS; ACCESSIBLE VOLUME; CHANNEL PORE; COMPLEX SOLIDS; CONCAVE SURFACE; FLUID BOUNDARY; GEOMETRICAL FACTORS; INTERFACIAL AREAS; METAL ORGANIC FRAMEWORK; MONTE CARLO INTEGRATION; MONTE CARLO INTEGRATION METHOD; POROUS SOLIDS; SPHERICAL PARTICLE; SURFACE CURVATURES;

ADSORPTION; CARBON NANOTUBES; INITIATORS (CHEMICAL); MONTE CARLO METHODS; ORGANOMETALLICS;

FRACTAL DIMENSION;

CARBON NANOTUBE; METAL ORGANIC FRAMEWORK;

ARTICLE; ATOM; CONTROLLED STUDY; ENERGY; LIQUID; MONTE CARLO METHOD; PHYSICAL PARAMETERS; POTENTIAL ENERGY; PRIORITY JOURNAL; SOLID; SURFACE AREA; SURFACE PROPERTY; VOLUME;

EID: 77953917042     PISSN: 00219797     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jcis.2010.05.001     Document Type: Article

References (26)

1. Gregg S.J., Sing K.S.W. Adsorption Surface Area and Porosity 1982, Academic Press.
2. Rouquerol F., Rouquerol J., Sing K. Adsorption by Powders and Porous Solids Principles, Methodology and Applications 1999, Academic Press, New York.
3. Do D.D. Adsorption Analysis: Equilibria and Kinetics 1998, Imperial College Press, London.
4. Kaneko K., Ohba T., Hattori Y., Sunaga M., Tanaka H., Kanoh H.F., Rodriguez-Reinoso B.M.J.R., Unger K. Role of gas adsorption in nanopore characterization. Studies in Surface Science and Catalysis 2002, 11-18. Elsevier.
5. Brunauer S., Emmett P.H., Edward T. J. Am. Chem. Soc. 1938, 60:309-319.
6. Kaneko K., Ishii C. Colloids Surf. 1992, 67:203-212.
7. Sing K.S.W., Everett D.H., Haul R.A.W., Moscou L., Pierotti R.A., Rouquerol J., Siemieniewska T. Pure Appl. Chem. 1985, 57(4):603-619.
8. Rouquerol J., Avnir D., Fairbridge C.W., Everett D.H., Haynes J.H., Pernicone N., Ramsay J.D.F., Sing K.S.W., Unger K.K. Pure Appl. Chem. 1994, 66(8):1739-1758.
9. Kaneko K. J. Membr. Sci. 1994, 96(1-2):59-89.
10. Kaneko K., Ishii C., Kanoh H., Hanzawa Y., Setoyama N., Suzuki T. Adv. Colloid Interf. Sci. 1998, 76-77:295-320.
11. Thommes M., Koehn R., Froeba M. Pore condensation and hysteresis phenomena in mesoporous molecular sieves. Studies in Surface Science and Catalysis 2002, 1702-1965. Elsevier Science B.V.
12. Thommes M. Physical adsorption characterization of ordered and amorphous mesoporous materials. Nanoporous Materials, Science & Engineering 2004, 317-364. Imperial College Press. G. Lu, X.S. Zhao (Eds.).
13. D.D. Do, E.A. Ustinov, H.D. Do, Porous texture characterization from gas-solid adsorption, in: E.J. Bottani, J.M.D. Tascon (Eds.), Adsorption by Carbons, Elservier, 2008, pp. 239-271.
14. Do D.D., Do H.D. Carbon 2005, 43(10):2112-2121.
15. Do D.D., Do H.D. J. Colloid Interf. Sci. 2005, 287(2):452-460.
16. Do D.D., Do H.D. J. Colloid Interf. Sci. 2007, 316(2):317-330.
17. Gelb L.D., Gubbins K.E. Langmuir 1998, 14:2097-2111.
18. Thomson K.T., Gubbins K. Langmuir 2000, 16(13):5761-5773.
19. Connolly M.L. J. Appl. Crystallogr. 1983, 16:548-558.
20. Paulus M., Gutt C., Tolan M. Phys. Rev. E 2005, 72(6):1-7.
21. Pfeifer P., Johnston G.P., Deshpande R., Smith D.M., Hurd A.J. Langmuir 1991, 7:2833-2843.
22. Avnir D., Farin D., Pfeifer P. J. Chem. Phys. 1983, 79(7):3566-3571.
23. J.J. Fripiat, Porosity and adsorption isotherms, in: D. Avnir (Ed.), The Fractal Approach to Heterogeneous Chemistry Surfaces, Colloids, Polymers, John Wiley & Sons, 1989, p. 441.
24. Do D.D., Do H.D. J. Phys. Chem. B 2006, 110(35):17531-17538.
25. Civalleri B., Napoli F., Noel Y., Roetti C., Dovesi R. CrystEngComm 2006, 8:364-371.
26. Walton K.S., Snurr R.Q. J. Am. Chem. Soc. 2007, 129:8552-8556.