Isotherm and heat of adsorption in porous solids with defective pores - Adsorption of argon and nitrogen at 77 K in Saran activated carbon

Molecular Simulation

Volumn 33, Issue 9-10, 2007, Pages 821-837

  Do, D D ^a   Do, H D ^a  

^a UNIVERSITY OF QUEENSLAND   (Australia)

Author keywords

Activated carbon; Activated charcoal; Isosteric heat; Isotherm

Indexed keywords

ACTIVATED CARBON; COMPUTER SIMULATION; ISOTHERMS; MONTE CARLO METHODS; THERMAL EFFECTS;

ACTIVATED CHARCOALS; DEFECTED WALLS; HEAT CURVES; ISOSTERIC HEAT;

POROUS MATERIALS;

EID: 34548361575     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020701275043     Document Type: Conference Paper

References (94)

1. R.A. Beebe, J. Biscoe, W.R. Smith, C.B. Wendell. Heats of adsorption on carbon black. I. J. Am. Chem. Soc., 69, 95 (1947).
2. R.A. Beebe, M.H. Polley, W.R. Smith, C.B. Wendell. Heats of adsorption on carbon black. I1. J. Am. Chem. Soc., 69, 2294 (1947).
3. W.R. Smith, R.A. Beebe. Heats of adsorption and relative adsorbahility of some gaseous hydrocarbons. Ind. Eng. Chem., 41, 1431 (1949).
4. R.A. Beebe, G.L. Kington, M.H. Polley, W.R. Smith. Heats of adsorption and molecular configuration. The pentanes on carbon black. Z. Am. Chem. Soc., 72, 40 (1950).
5. R.A. Beebe, B. Millard, J. Cynarski. Heats of adsorption of nitrogen and argon on porous and on non-porous adsorbents at - 195. J. Am. Chem. Soc., 75, 839 (1953).
6. C.H. Amberg, W.B. Spencer, R.A. Beebe. Heats of adsorption of krypton on highly graphitized thermal carbon black. Can. J. Chem., 71, 305 (1954).
7. R.A. Beebe, D.M. Young. Heats of adsorption of argon on a series of carbon blacks graphitized at successively higher temperatures. Z Phys. Chem., 58, 93 (1954).
8. B. Millard, R.A. Beebe, J. Cynarski. The heat of adsorption of methanol on carbon adsorbents at 0°. J. Phys. Chem., 58, 468 (1954).
9. R.A. Beebe, R.M. Dell. Heats of adsorption of polar molecules on carbon surfaces. I. Sulfur dioxide. J. Phys. Chem., 59, 746 (1955).
10. R.M. Dell, R.A. Beebe. Heats of adsorption of polar molecules on carbon surfaces. II. Ammonia and methylamine. J. Phys. Chem., 59, 754 (1955).
11. W.B. Spencer, C.H. Amberg, R.A. Beebe. A further studies of adsorption on graphitized carbon black. J. Phys. Chem., 62, 719 (1958).
12. R.A. Beebe, R.L. Gale, T.C. Kleinsteuber. Calorimetric heats of adsorption of nitrogen, carbon monoxide, and argon on graphon at - 70. J. Phys. Chem., 70, 4010 (1966).
13. N.N. Avgul, G.I. Berezin, A.V. Kiselev, A. Korolev. The effect of the porosity of graphite adsorbents on the adsorption and heat of adsorption of hexane vapors. Coll. J., 20, 283 (1958).
14. A.G. Bezus, V.P. Dreving, A.V. Kiselev. Isotherms and heats of adsorption of propane and propylene on graphitized carbon black. The energy of the adsorption process. Coll. J., 23, 389 (1961).
15. A. Isirikyan, A.V. Kiselev. The absolute adsorption isotherms of vapors of nitrogen, benzene and n-hexane and the heats of adsorption of benzene and n-hexane on graphitized carbon blacks. I. Graphitized thermal blacks. J. Phys. Chem., 65, 601 (1961);
16. 66 205 (1962).
17. N.N. Avgul, A.V. Kiselev, I. Lygina. Isotherms and heats of adsorption of sphere-like molecules on graphitized carbon black. Potential energies and chances in thermodynamic functions upon adsorption on graphite. Trans. Trans. Farad. Soc., 59, 2113 (1963).
18. A.V. Kiselev, M.V. Serdobov. Some characteristic correlations between the differential heats of adsorption of benzene, carbon tetrachloride, methyl cyclohexane and perfluoromethyleyclohexane and the coverage of a graphitized carbon black surface. Russ. J. Phys. Chem., 37, 1402 (1963).
19. A.G. Bezus, V.P. Dreving, A.V. Kiselev. Energy of adsorption of ethane and ethylene on surfaces of varying nature - Isotherms and heat of adsorption of ethane on graphitized carbon black. Russ. J. Phys. Chem., 38, 30 (1964).
20. R.A. Beebe, A.V. Kiselev, N. Kovaleva, R. Tyson, J. Holmes. Adsorption and satte of CO2, SF6 and NH3 on a graphitized carbon surface. I. Adsorption isotherms. Russ. J. Phys. Chem., 38, 372 (1964).
21. A. Bezus, V. Dreving, A.V. Kiselev. Adsorption energy of ethane and ethylene on surfaces of varying nature. Russ. J. Phys. Chem., 38, 511 (1964).
22. A.V. Kiselev. Short range molecular interaction. Russ. J. Phys. Chem., 38, 1501 (1964).
23. A.G. Bezus, V. Dreving, A.V. Kiselev. The isotherms and heats of adsorption of methane on graphitized carbon black. Russ. J. Chem. Eng., 38, 1589 (1964).
24. A.G. Bezus, V. Dreving, A.V. Kiselev. Variation with pressure and temperature of adsorption of methane and ethylene on graphitized carbon black. Russ. J. Phys. Chem., 41, 1568 (1967).
25. L. Beljakova, A.V. Kiselev, N. Kovaleva. Determination by gas chromatography of adsorption isotherms and heats of adsorption for steam, and benzene on graphitized carbon black. Bull. Soc. Chim. Fr., 1, 285 (1967).
26. G. Berezin, A.V. Kiselev, R. Sagatelyan, M. Serdobov. Two calorimeter system for measuring adsorption and heat of adsorption. Russ. J. Phys. Chem., 43, 118a (1969).
27. G. Berezin, A.V. Kiselev, R. Sagatelyan, M. Serdobov. Heat of adsorption of carbon tetrachloride on a graphitized carbon black above and below 2-dimensional critical temperature. Russ. J. Phys. Chem., 43, 118b (1969).
28. G. Berezin, A.V. Kiselev, I. Kleshnina, V. Sinitsyn. Heat capacities of ethyl and tertiary butyl alcohols in adsorption layers on graphitized carbon black. Russ. J. Phys. Chem., 43, 894 (1969).
29. G.I. Berezin, A.V. Kiselev, V. Sinitsyn. Adsorption of benzene and normal-hexane on graphitized carbon black. Russ, J. Phys. Chem., 44, 408 (1970).
30. N. Avgul, A.V. Kiselev. Physical adsorption of gases and vapors on graphitized carbon blacks. Chem. Phys. Carbon, 6, 1 (1970).
31. G. Berezin, A.V. Kiselev, R. Sagatelyan, O. Chistozvonova. Adsorption of ethyl-alcohol on surface of graphitized carbon black at various temperatures. Russ. J. Phys. Chem., 46, 432 (1972).
32. N. Avgul, A. Bezus, E. Dobrova, A.V. Kiselev. The similarity of gas adsorption by nonporous and microporous crystalline adsorbents. J. Coll. Int. Sci., 42, 486(1973).
33. R. Bekkerova, G. Berezin, A.V. Kiselev. Phase transitions of adsorbed hexane. Russ. J. Phys. Chem., 52, 141 (1978).
34. A. Derkaui, A.V. Kiselev, B. Kuznetsov. Calorimetric measurement of heats of vapour adsorption on graphitized thermal carbon black. J. Chem. Soc. Farad. Trans. I., 81, 1685 (1985).
35. J. Regnier, J. Rouquerol, A. Thomy. Calorimetric measurements of heat of adsorption of krypton and xenon on graphite at 77 and 87.5 K by means of a continuous introduction of adsorbate. J. Chim. Phys., 72, 327 (1975).
36. Y. Grillet, F. Rouquerol, J. Rouquerol. Study of physical adsorption of gases by a continuous procedure. 2. Experimental evidence of phase change of nitrogen adsorbed at 77 K on differently graphitized carbons. J. Chim. Phys., 74, 778 (1977).
37. J. Rouquerol, S. Partyka, F. Rouquerol. Calorimetric evidence for a Bi-dimensional phase change in the monolayer of nitrogen or argon adsorbed on graphite at 77 K. J. Chem. Soc. Farad. Trans. I., 73, 306 (1977).
38. Y. Grillet, F. Rouquerol, J. Rouquerol. Two-Dimensional freezing of nitrogen or argon on differently graphitized carbons. J. Coll. Int. Sci., 70, 239 (1979).
39. J. Rouquerol, F. Rouquerol, Y. Grillet. Energetical, aspects of N2 and Ar adsorption: Specific adsorption, two-dimensional phase changes and adsorption in micropores. Pure Appl. Chem., 61, 1933 (1989).
40. J. Pikunic, P. Llewellyn, R. Pellenq, K. Gubbins. Argon and nitrogen adsorption in disordered nanoporous carbons: Simulation and experiment. Langmuir, 21, 4431 (2005).
41. G. Kington, J. Aston. The heat of adsorption of nitrogen on titanium dioxide (Rutile) at 77.3. J. Am. Chem. Soc., 73, 1929 (1951).
42. J. Greyson, J. Aston. The heats of adsorption of helium, and neon on graphitized carbon black. J. Phys. Chem., 61, 610 (1957).
43. J. Aston, J. Wood, T. Zolki. The thermodynamic properties and configuration of unsymmetrical dimethylhydrazine. J. Am. Chem. Soc., 75, 6202 (1953).
44. J. Aston, G. Szaz. The Thermodynamics of Butadiene-1,2 from calorimetric and spectroscopic data. Z. Am. Chem. Soc., 69, 3108 (1947).
45. J. Aston, J. Greyson. Theory of heats of adsorption on a uniform surface. Effect of lateral interaction and grain boundaries. J. Phys. Chem., 61, 613 (1957).
46. J. Aston, J. Eidinoff. The low temperature precision adiabatic calorimeter adapted to condensed gases from 10'K. to room. temperature. Z. Am, Chem. Soc., 61, 1533 (1939).
47. J.A. Morrison, J. Szaz. The heat capacity of nitrogen adsorbed on titanium dioxide between 20K and 80K. J. Chem. Phys., 16, 280 (1948).
48. J.A. Morrison, J. Los, L. Drain. The heat capacity, integral heat of adsorption and entropy of argon adsorbed on titanium, dioxide. Trans. Farad, Soc., 47, 1023 (1951).
49. J. Piper, J.A. Morrison, C. Peters, Y. Ozaki. Heats and entropies of adsorption of nitrogen on grafoil at 79.3K. J. Chem. Soc. Farad. Trans. I., 79, 2863 (1983).
50. J. Morrison. Calorimetry in the study of physical adsorption. Pure Appl. Chem., 59, 7 (1987).
51. C. Peters, J. Morrison, M. Klein. The adsorption of acetylene on a graphite surface:, Surf. Sci., 165, 355 (1986).
52. A. Inaba, J. Morrison. Ethylene on graphite: Heats of adsorption and phase diagram. Phys. Rev. B, 34, 3238 (1986).
53. J. Piper, J. Morrison. Heats of adsorption and vibrational frequencies for xenon adsorbed on graphite. Chem. Phys. Lett., 103, 323 (1984).
54. J. Piper, J. Morrison, C. Peters. The adsorption of carbon monoxide on graphite. Mol., Phys., 53, 1463 (1984).
55. J. Piper, J. Morrison. Heats of adsorption of methane multilayers on graphite. Phys. Rev. B, 30, 3480 (1984).
56. L. Drain, J. Morrison. Thermodynamic properties of nitrogen and oxygen adsorbed on rutile. Trans. Farad. Soc., 49, 654 (1953).
57. J. Morrison, L. Drain, J. Dugdale. Phase transitions in multimolecular layers of adsorbed nitrogen. Can. J. Chem., 30, 890 (1952).
58. L. Drain, J. Morrison. Interpretation of the thermodynamic properties of adsorbed argon at low surface coverages. Trans. Farad, Soc., 48, 316 (1952).
59. L. Drain, J. Morrison. Thermodynamic properties of argon adsorbed on rutile. Trans. Farad. Soc., 48, 840 (1952).
60. J. Morrison, L. Drain. The heat capacity of multimolecular layers of adsorbed argon. J. Chem. Phys., 19, 1063 (1951).
61. J. Morrison, J. Los. The measurement of the thermal, properties of gases and vapours adsorbed on solid surfaces. Dis. Farad. Soc., 8, 321 (1950).
62. E. Pace, A. Siebert. Heats of adsorption and adsorption isotherms for low boiling gases adsorbed on graphon. J. Phys. Chem., 64, 961 (1960).
63. E. Pace, I. Pierce, K. Dennis. Adiabatic calorimeter for use with condensable gases and gas-solid systems between 10 and 150K. Rev. Sci. Instr., 26, 20 (1955).
64. E. Pace, E. Heric, K. Dennis. Some thermodynamic properties of methane adsorbed on rutile between 80 and 140K. J. Chem. Phys., 21, 1225 (1953).
65. E. Pace, A. Siebert. Heat of adsorption of parahydrogen and orthodeuterium on graphon. J. Phys. Chem., 63, 1398 (1959).
66. R. Bobka, R. Dininny, A. Siebert, E. Pace. Heat capacity and heat of adsorption of argon adsorbed on graphon. J. Phys. Chem., 61, 1646 (1957).
67. E. Pace. Argon adsorbed on a graphitic surface. The heat of adsorption from lattice liquid theory. J. Chem. Phys., 27, 1341 (1957).
68. E. Pace, W. Berg, A. Siebert. Entropy of krypton adsorbed on titanium dioxide (Anatase). J. Am. Chem. Soc., 78, 1531 (1956).
69. E. Pace, K. Dennis, W. Berg. Thermodynamic properties of krypton adsorbed on titanium dioxide (anatase). J. Chem. Phys., 23, 2166 (1955).
70. E. Pace, S. Greene. Heat of adsorption of argon adsorbed on titanium dioxide between 60 and 90°K. J. Am. Chem. Soc., 76, 3286 (1954).
71. E. Pace, D. Sasmor, E. Heric. Heat capacity of methane adsorbed on titanium dioxide between 55 and 90'K. J. Am. Chem. Soc., 74, 4413 (1952).
72. D. Nicholson, N. Parsonage. Computer simulation and the statistical mechanics of adsorption, Academic Press, London (1982).
73. D. Nicholson. A simulation study of energetic and structural heterogeneity in slit-shaped pores. Langmuir, 15, 2508 (1999).
74. Y. He, N. Seaton. Monte Carlo simulation and pore-size distribution analysis of the Isosteric heat of adsorption of methane in activated carbon. Langmuir, 21, 8297 (2005).
75. G. Birkett, D.D. Do. Correct procedures for the calculation of heats of adsorption for heterogeneous adsorbents from molecular simulation. Langmuir, 22 (2006) In press.
76. D.D. Do, H.D. Do. Effects of potential models in the vapor-liquid equilibria and adsorption of simple gases on graphitized thermal. carbon black. Fluid Phase Equil., 236, 169 (2005).
77. D.D. Do, H.D. Do, K. Kaneko. Effect of surface-perturbed intermolecular interaction on adsorption of simple gases on a graphitized carbon surface. Langmuir, 20, 7623 (2004).
78. D.D. Do, H.D. Do. Adsorption of ethylene on graphitized thermal carbon black and in slit pores: A computer simulation study. Langmuir, 20, 7103 (2004).
79. L. Gardner, M. Kruk, M. Jaroniec. Reference data for argon adsorption on graphitized and nongraphitized carbon blacks. J. Phys. Chem. B, 105, 125, 16 (2001);
80. M. Kruk, Z. Li, M. Jaroniec, Nitrogen adsorption study of surface properties of graphitized carbon blacks. Langmuir, 15 (1999) 1435.
81. A. Michels, H. Wijker, H. Wijker. Isotherms of argon between 0 degrees and 150 degrees C and pressure up to 2900 atmospheres. Physica (The Hague), 15, 627 (1949).
82. P. Ravikovitch, A. Vishnyakov, A. Neimark. Density functional theories and molecular simulations of adsorption and phase transitions in nanopores. Phys. Rev E, 64, 011602 (2001).
83. W.A. Steele. The physical interaction of gases with crystalline solids. I. Gas-solid energies and properties of isolated adsorbed atoms. Surf. Sci., 36, 317 (1973).
84. M.P. Allen, D.J. Tildesley. Computer Simulation of Liquids, Clarendon Press, Oxford (1987).
85. D. Frenkel, B. Smit. Understanding Molecular Simulations, Academic Press, New York (2002).
86. D.D. Do, H.D. Do. Modeling of adsorption on nongraphitized carbon surface: GCMC simulation studies and comparison with experimental data. J. Phys. Chem. B, 110, 17531 (2006).
87. S.J. Gregg, K.S.W. Sing. Adsorption, Surface Area and Porosity, Academic Press, New York (1982).
88. C. Pierce, J. Wiley, R. Smith. Capillarity and surface area of charcoal. J. Phys. Coll. Chem., 53, 669 (1949).
89. K. Kaneko, Y. Hanzawa, T. Iiyama, T. Kanda, T. Suzuki, Cluster-Mediated water adsorption on carbon nanopores. Adsorption, 5, 7 (1999).
90. Y. Hanzawa, K. Kaneko. Lack of a predominant adsorption of water vapor on carbon mesopores. Langmuir, 13, 5802 (1997).
91. T. Kimura, H. Kanoh, T. Kanda, T. Ohkubo, Y. Hattori, Y. Higaonna, R. Denoyel, K. Kaneko. Cluster-Associated filling of water in hydrophobic carbon micropores. J. Phys. Chem. B., 108, 14043 (2004).
92. T. Ohba, H. Kanoh, K. Kaneko. Cluster-Growth-Induced Water adsorption in hydrophobic carbon nanopores. J. Phys. Chem. B., 108, 14969 (2004).
93. M. Kruk, M. Jaroniec, J. Choma. Comparative analysis of simple and advanced sorption methods for assessment of microporosity in activated carbon. Carbon, 36, 1447 (1998).
94. E. Ustinov, D.D. Do, V.B. Fenelonov. Pore size distribution analysis of activated carbons: Application of density functional theory using nongraphitized carbon black as a reference system. Carbon, 44, 653 (2006).