Adsorption in micropores (nanopores): A computer appraisal of the Dubinin equations

Molecular Simulation

Volumn 35, Issue 1-2, 2009, Pages 122-137

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

^a UNIVERSITY OF QUEENSLAND   (Australia)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

Adsorption; Dubinin equations; Isosteric heat; Micropores

Indexed keywords

ACTIVATED CARBON; ADSORPTION ISOTHERMS; ALGEBRA; ATMOSPHERIC TEMPERATURE; LOADING; MICROPOROSITY; NANOPORES; PORE SIZE;

ADSORPTION HEATS; ADSORPTION POTENTIALS; CHARACTERISTIC CURVES; CHARACTERISTIC ENERGIES; COMPLEX PATTERNS; DEGREE OF FILLINGS; DUBININ EQUATIONS; HETEROGENEOUS SURFACES; ISOSTERIC HEAT; MICROPORES; MONTE CARLO; PORE FILLINGS; PORE MODELS; PORE SIZE DISTRIBUTIONS; POTENTIAL FIELDS; SHARP INCREASE; SINGLE CURVES; STRAIGHT LINES; UNIFORM SIZES;

ADSORPTION;

EID: 61549100865     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020802331349     Document Type: Article

References (30)

1. S.J. Gregg and K.S.W. Sing, Adsorption, Surface Area and Porosity, Academic Press, New York, 1982.
2. D.D. Do, Adsorption Analysis: Equilibria and Kinetics, Imperial College Press, London, 1998.
3. B.P. Bering, V.V. Serpinsky, and M.M. Dubinin, Thermodynamicsof adsorption in micropores, J. Colloid Interface Sci. 38 (1972), pp. 185-194.
4. H.F. Stoeckli, On the theoretical foundation of the Dubinin-Astakhov equation. Carbon 19 (1981), pp. 325-326.
5. M. Jaroniec and R. Madey, Physical Adsorption on HeterogeneousSolids, Elsevier, Amsterdam, 1988.
6. W. Rudzinski and D. Everett, Adsorption of Gases on Heterogeneous Surfaces, Academic Press, New York, 1992.
7. M.G. Kaganer, New method for determining the specific surface ofadsorbents and other finely divided substances, J. Russ. Phys. Chem. 33 (1959), pp. 352-360.
8. J. Cortes and P. Araya, The Dubinin-Radushkevich-Kaganerequation, J. Chem. Soc. Farad. Trans. I 82 (1986), pp. 2473-2479.
9. S. Ozawa, S. Kusumi, and Y. Ogino, Physical adsorption of gases athigh-pressure 4. Improvement of Dubinin-Astakhov adsorptionequation, J. Colloid Interface Sci. 56 (1976), pp. 83-91.
10. K.A.G. Amankwah and J.A. Schwartz, A modified approach forestimating pseudo-vapor pressures in the application of theDubinin-Astakhov equation. Carbon 33 (1995), pp. 1313-1319.
11. M. Aoshima, K. Fukasawa, and K. Kaneko, Micropore filling ofsupercritical Xe in micropores of activated carbon fibers, J. Colloid Interface Sci. 222 (2000), pp. 179-183.
12. K. Kaneko and K. Murata, An analytical method of micropore fillingof a supercritical gas, Adsorption 3 (1997), pp. 197-208.
13. X. Lu, M. Jaroniec, and R. Madey, Use of adsorption-isotherms oflight normal alkanes for cliaracterizing microporous activatedcarbons, Langmuir 7 (1991), pp. 173-177.
14. M.M. Dubinin, Fundamentals of the theory of adsorption inmicropores of carbon adsorbents - characteristics of theiradsorption properties and microporous structures, Carbon 27 (1989), pp. 457-467.
15. M.M. Dubinin and H.F. Stoeckl, Homogeneous and heterogeneousmicropore structures in carbonaceous adsorbents, J. Colloid Interface Sci. 75 (1980), pp. 34-42.
16. M.M. Dubinin, Adsorption properties and microporous structures ofcarbonaceous adsorbents, Carbon 25 (1987), pp. 593-598.
17. M. Jaroniec and R. Madey, Physical interpretation of the energyparameter in the Dubinin-Radushkevich equation, Carbon 26 (1988), pp. 107-108.
18. M. Jaroniec and R. Madey, Entìmlpv of immersion of a porous solid, J. Phys. Chem. 92 (1988), pp. 3986-3988.
19. D.D. Do and H.D. Do, Modelling of adsorption on nongraphί tized carbon surface: GCMC simulation studies and comparison with experimental data, J. Phys. Chem. B 110 (2006), pp. 17531-17538.
20. T. Ohba and K. Kaneko, GCMC study on relationship between DR plot and micropore width distribution of carbon, Langmuir 17 (2001), pp. 3666-3670.
21. T. Ohba, T. Suzuki, and K. Kaneko, Relationship between DR-plot and micropore width distribution from GCMC simulation, Carbon 38 (2000), pp. 1892-1896.
22. A. Michels, H. Wijker, and H.K. Wijker, Isotherms of argon between 0°C and 150°C and pressures up to 2900 atmospheres, Physica 15 (1949), pp. 627-633.
23. H. Marsh, Introduction to Carbon Science, Butterworth, London, 1989.
24. T.J. Bandosz, MJ. Biggs, K.E. Gubbins, Y. Hattori, T. liyama, K. Kaneko, J. Pikunic, and K.T. Thomson, Molecular models of porous carbons, Chem. Phys. Carbon (2003), pp. 41-228.
25. T.X. Nguyen, S.K. Bhatia, and D. Nicholson, Close packed transitions in slit shaped pores: Density functional theory study of methane adsorption capacity in carbon, J. Chem. Phys. 117 (2002), pp. 10827-10836.
26. 2 in carbon slit pores: Theory and simulation, Langmuir 20 (2004), pp. 9612-9620.
27. G.R. Birkett and D.D. Do, Correct procedures for the calculation of heats of adsorption for heterogeneous adsorbents from molecular simulation, Langmuir 22 (2006), pp. 9976-9981.
28. D.D. Do, D. Nicholson, and H.D. Do. Heat of adsorption and density distribution in slit pores with defective walls: GCMC simulation studies and comparison with experimental data, Appl. Surf. Sci. 253 (2007), pp. 5580-5586.
29. D.D. Do and H.D. Do, Isotherm and heat of adsorption in porous solids with defective pores-adsorption of argon and nitrogen at 77 K in Saran activated carbon, Mol. Sim. 33 (2007), pp. 821-837.
30. D. Nicholson and N. Parsonage, Computer Simulation and The Statistical Mechanics of Adsorption, Academic Press, London, 1982.