Water as a potential molecular probe for functional groups on carbon surfaces

Carbon

Volumn 67, Issue , 2014, Pages 72-78

  Nguyen, Van T ^a   Horikawa, Toshihide ^b   Do, D D ^a   Nicholson, D ^a  

^a UNIVERSITY OF QUEENSLAND   (Australia)

^b UNIVERSITY OF TOKUSHIMA   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULES; POROUS MATERIALS; PROBES; TITRATION;

BOEHM TITRATION; BOLTZMANN FACTORS; CARBON ADSORBENTS; HENRY CONSTANTS; MOLECULAR PROBES; SMALL CONCENTRATION; SURFACE OXYGEN GROUPS; VOLUME INTEGRATIONS;

MOLECULAR OXYGEN;

EID: 84892826757     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2013.09.057     Document Type: Article

References (51)

1. Steele WA. The interaction of gases with solid surfaces. Oxford: Pergamon Press; 1974.
2. Nicholson D, Parsonage G. Computer simulation and the statistical mechanics of adsorption. London: Academic Press; 1982.
3. Do DD, Nicholson D, Do HD. On the Henry constant and isosteric heat at zero loading in gas phase adsorption. J Colloid Interface Sci 2008; 324 (1-2): 15-24.
4. Nguyen TX, Bhatia SK. How water adsorbs in hydrophobic nanospaces. J Phys Chem C 2011; 115 (33): 16606-12.
5. Lodewyckx P. The effect of water uptake in ultramicropores on the adsorption of water vapour in activated carbon. Carbon 2010; 48 (9): 2549-53.
6. Hantal G, Picaud S, Hoang PNM, Voloshin VP, Medvedev NN, Jedlovszky P. Water adsorption isotherms on porous onion like carbonaceous particles. Simulations with the grand canonical Monte Carlo method. J Chem Phys 2010; 133 (14).
7. Lodewyckx P, Van Rompaey D, Verhoeven L, Vansant EF. Water isotherms of activated carbons with small amounts of surface oxygen groups: fitting the mesopore region. Carbon 2001; 39 (2): 309-10.
8. Gogelashvili GS, Vartapetyan RS, Ladychuk DV, Khozina EV, Grunin YB. Energy characteristics of adsorbed water in active carbons according to the NMR relaxation data. Russ J Phys Chem A 2010; 84 (2): 272-6.
9. Vartapetyan RS, Voloshchuk AM, Isirikyan AA, Polyakov NS, Tarasevich YI. Chemistry of carbon surface and mechanism of water molecule adsorption. Colloids Surf A 1995; 101 (2- 3): 227-32.
10. Qi N, LeVan MD. Adsorption equilibrium modeling for water on activated carbons. Carbon 2005; 43 (11): 2258-63.
11. Slasli AM, Jorge M, Stoeckli F, Seaton NA. Modelling of water adsorption by activated carbons: effects of microporous structure and oxygen content. Carbon 2004; 42 (10): 1947-52.
12. Brennan JK, Bandosz TJ, Thomson KT, Gubbins KE. Water in porous carbons. Colloids Surf A 2001; 187-188:539-68.
13. Salame II, Bagreev A, Bandosz TJ. Revisiting the effect of surface chemistry on adsorption of water on activated carbons. J Phys Chem B 1999; 103 (19): 3877-84.
14. Salame II, Bandosz TJ. Experimental study of water adsorption on activated carbons. Langmuir 1999; 15 (2): 587-93.
15. McCallum CL, Bandosz TJ, McGrother SC, Müller EA, Gubbins KE. A molecular model for adsorption of water on activated carbon: comparison of simulation and experiment. Langmuir 1999; 15 (2): 533-44.
16. Liu JC, Monson PA, Van Swol F. Studies of a lattice model of water confined in a slit pore. J Phys Chem C 2007; 111 (43): 15976-81.
17. Liu JC, Monson PA. Monte Carlo simulation study of water adsorption in activated carbon. Ind Eng Chem Res 2006; 45 (16): 5649-56.
18. Ohba T, Kaneko K. Initial filling mechanism of predominant water adsorption on hydrophobic slit-shaped carbon nanopores. In: Bellissent-Funel MC, Dore J, editors. Water interfaces in physics chemistry and biology: a multidisciplinary approach, Elsevier, Amsterdam; 2009.
19. Ohba T, Kaneko K. Surface oxygen-dependent water cluster growth in carbon nanospaces with GCMC simulation-aided in situ SAXS. J Phys Chem C 2007; 111 (17): 6207-14.
20. Kaneko K, Hanzawa Y, Iiyama T, Kanda T, Suzuki T. Clustermediated water adsorption on carbon nanopores. Adsorption 1999; 5 (1): 7-13.
21. Jorge M, Seaton NA. Characterisation of the surface chemistry of activated carbon by molecular simulation of water adsorption. In: Rodriguez Reinoso F, McEnaney B, Rouquerol J, Unger K, editors. Characterization of porous solids vi. Amsterdam: Elsevier; 2002. p. 131-8.
22. Jorge M, Schumacher C, Seaton NA. Simulation study of the effect of the chemical heterogeneity of activated carbon on water adsorption. Langmuir 2002; 18 (24): 9296-306.
23. Ohba T, Kanoh H, Kaneko K. Structures and stability of water nanoclusters in hydrophobic nanospaces. Nano Lett 2005; 5 (2): 227-30.
24. Ohba T, Kanoh H, Kaneko K. Water cluster growth in hydrophobic solid nanospaces. Chem Eur J 2005; 11 (17): 4890-4.
25. Ohba T, Kanoh H, Kaneko K. Cluster-growth-induced water adsorption in hydrophobic carbon nanopores. J Phys Chem B 2004; 108 (39): 14964-9.
26. Striolo A, Gubbins KE, Gruszkiewicz MS, Cole DR, Simonson JM, Chialvo AA. Effect of temperature on the adsorption of water in porous carbons. Langmuir 2005; 21 (21): 9457-67.
27. Striolo A, Chialvo AA, Cummings PT, Gubbins KE. Water adsorption in carbon-slit nanopores. Langmuir 2003; 19 (20): 8583-91.
28. Rudzinski W, Everett DH. Adsorption of gases on heterogeneous surfaces. New York: Academic Press; 1992.
29. Birkett G, Do DD. Simulation study of water adsorption on carbon black: the effect of graphite water interaction strength. J Phys Chem 2007; 111 (15): 5735-42.
30. Morimoto T, Miura K. Adsorption sites for water on graphite. 1. Effect of high-temperature treatment of sample. Langmuir 1985; 1 (6): 658-62.
31. Morimoto T, Miura K. Adsorption sites for water on graphite. 2. Effect of autoclave treatment of sample. Langmuir 1986; 2 (1): 43-6.
32. Miura K, Morimoto T. Adsorption sites for water on graphite. 3. Effect of oxidation treatment of sample. Langmuir 1986; 2 (6): 824-8.
33. Miura K, Morimoto T. Adsorption sites for water on graphite. 4. Chemisorption of water on graphite at room temperature. Langmuir 1988; 4 (6): 1283-8.
34. Miura K, Morimoto T. Adsorption sites for water on graphite. 5. Effect of hydrogen-treatment of graphite. Langmuir 1991; 7 (2): 374-9.
35. Müller EA, Rull LF, Vega LF, Gubbins KE. Adsorption of water on activated carbons: a molecular simulation study. J Phys Chem 1996; 100 (4): 1189-96.
36. Muller EA, Gubbins KE. Molecular simulation study of hydrophilic and hydrophobic behavior of activated carbon surfaces. Carbon 1998; 36 (10): 1433-8.
37. Picaud S, Collignon B, Hoang PNM, Rayez JC. Adsorption of water molecules on partially oxidized graphite surfaces: a molecular dynamics study of the competition between OH and COOH sites. Phys Chem Chem Phys 2008; 10 (46): 6998-7009.
38. Brennan JK, Thomson KT, Gubbins KE. Water in porous carbons: a simulation study. In: Cummings PT, Westmoreland PR, editors. Foundations of molecular modeling and simulation. New York: Amer Inst Chemical Engineers; 2001. p. 264-8.
39. Brennan JK, Thomson KT, Gubbins KE. Adsorption of water in activated carbons: effects of pore blocking and connectivity. Langmuir 2002; 18 (14): 5438-47.
40. Boehm HP. Chemical identification of surface groups. In: Eley HPDD, Paul BW, editors. Advances in catalysis. Academic Press; 1966. p. 179-274.
41. Boehm HP. Some aspects of the surface chemistry of carbonblacks and other carbons. Carbon 1994; 32 (5): 759-69.
42. Jia YF, Thomas KM. Adsorption of cadmium ions on oxygen surface sites in activated carbon. Langmuir 1999; 16 (3): 1114-22.
43. Meldrum BJ, Rochester CH. In situ infrared study of the surface oxidation of activated carbon in oxygen and carbon dioxide. J Chem Soc Faraday Trans 1990; 86 (5): 861-5.
44. Kaneko Y, Ohbu K, Uekawa N, Fujie K, Kaneko K. Evaluation of low concentrated hydrophilic sites on microporous carbon surfaces with an X-ray photoelectron-spectroscopy ratio method. Langmuir 1995; 11 (3): 708-10.
45. Horikawa T, Sekida T, Hayashi J, Katoh M, Do DD. A new adsorption-desorption model for water adsorption in porous carbons. Carbon 2011; 49 (2): 416-24.
46. Horikawa T, Sakao N, Do DD. Effects of temperature on water adsorption on controlled microporous and mesoporous carbonaceous solids. Carbon 2013; 56:183-92.
47. Berendsen HJC, Grigera JR, Straatsma TP. The missing term in effective pair potentials. J Phys Chem B 1987; 91 (24): 6269-71.
48. Bojan MJ, Steele WA. Computer simulation of physisorption on a heterogeneous surface. Surf Sci 1988; 199 (3): L395-402.
49. Bojan MJ, Steele WA. Computer simulation of physisorbed krypton on a heterogeneous surface. Langmuir 1989; 5 (3): 625-33.
50. Bojan MJ, Steele WA. Computer simulation of physical adsorption on stepped surfaces. Langmuir 1992; 9 (10): 2569-75.
51. Bojan MJ, SteeleWA. Computer simulations of the adsorption of xenon on stepped surfaces. Mol Phys 1998; 95 (3): 431-7.