On the hysteresis loop and equilibrium transition in slit-shaped ink-bottle pores

Adsorption

Volumn 19, Issue 6, 2013, Pages 1273-1290

  Klomkliang, Nikom ^a,b   Do, D D ^a   Nicholson, D ^a  

^a UNIVERSITY OF QUEENSLAND   (Australia)

^b SURANAREE UNIVERSITY OF TECHNOLOGY   (Thailand)

Author keywords

Adsorption; Cavitation; Equilibrium transition; Hysteresis; Ink bottle pores; Pore blocking

Indexed keywords

ADSORPTION DESORPTION; CONTROLLING MECHANISM; EQUILIBRIUM STATE; EQUILIBRIUM TRANSITIONS; GRAND CANONICAL MONTE CARLO SIMULATION; INK-BOTTLE PORES; MESOPOROUS SOLID; PORE BLOCKING;

ADSORPTION; ARGON; CAVITATION; DESORPTION; EVAPORATION; HYSTERESIS; HYSTERESIS LOOPS; MONTE CARLO METHODS;

BOTTLES;

EID: 84888324256     PISSN: 09295607     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10450-013-9569-5     Document Type: Article

References (60)

1. Allen, M.P.; Tildesley, T.P.: Computer Simulation of Liquids. Clarendon, Oxford (1987)
2. Bojan, M.J.; Steele, W.A.: Computer simulation of physisorption on a heterogeneous surface. Surf. Sci. 199, L395-L402 (1988)
3. Bojan, M.J.; Steele, W.A.: Computer-simulation of physisorbed Kr on a heterogeneous surface. Langmuir 5, 625-633 (1989)
4. Bojan, M.J.; Steele, W.A.: Computer-simulation of physical adsorption on stepped surfaces. Langmuir 9, 2569-2575 (1993)
5. Cohan, L.H.: Hysteresis and the capillary theory of adsorption of vapors. J. Am. Chem. Soc. 66, 98-105 (1944)
6. Do, D.D.; Do, H.D.: Effects of potential models in the vapor-liquid equilibria and adsorption of simple gases on graphitized thermal carbon black. Fluid Phase Equilib. 236, 169-177 (2005)
7. Do, D.D.; Herrera, L.F.; Do, H.D.: A new method to determine pore size and its volume distribution of porous solids having known atomistic configuration. J. Colloid and Interface Sci. 328, 110-119 (2008)
8. Edison, J.R.; Monson, P.A.: Dynamic mean field theory of condensation and evaporation in model pore networks with variations in pore size. Microporous Mesoporous Mater. 154, 7-15 (2012)
9. Fan, C.Y.; Do, D.D.; Nicholson, D.: On the cavitation and pore blocking in slit-shaped ink-bottle pores. Langmuir 27, 3511-3526 (2011a)
10. Fan, C.Y.; Do, D.D.; Nicholson, D.: New Monte Carlo simulation of adsorption of gases on surfaces and in pores: a concept of multibins. J. Phys. Chem. B 115, 10509-10517 (2011b)
11. Fan, C.Y.; Razak, M.A.; Do, D.D.; Nicholson, D.: On the Identification of the sharp spike in the heat curve for argon, nitrogen, and methane adsorption on graphite: reconciliation between computer simulation and experiments. J. Phys. Chem. C 116, 953-962 (2012)
12. Grant, S.M.; Jaroniec, M.: Effect of cosolvent organic molecules on the adsorption and structural properties of soft-templated ordered mesoporous alumina. J. Colloid Interface Sci. 367, 129-134 (2012)
13. Grosman, A.; Ortega, C.: Capillary condensation in porous materials - hysteresis and interaction mechanism without pore blocking/percolation process. Langmuir 24, 3977-3986 (2008)
14. Grosman, A.; Ortega, C.: Cavitation in metastable fluids confined to linear mesopores. Langmuir 27, 2364-2374 (2011)
15. Hauschild, T.; Prausnitz, J.M.: Monte-Carlo calculations for methane and argon over a wide-range of density and temperature, including the two-phase vapor-liquid region. Mol. Simul. 11, 177-185 (1993)
16. Horikawa, T.; Hayashi, J.; Muroyama, K.: Controllability of pore characteristics of resorcinol-formaldehyde carbon aerogel. Carbon 42, 1625-1633 (2004)
17. Horikawa, T.; Do, D.D.; Nicholson, D.: Capillary condensation of adsorbates in porous materials. Adv. Colloid Interface Sci. 169, 40-58 (2011)
18. Jorge, M.; Seaton, N.A.: Molecular simulation of phase coexistence in adsorption in porous solids. Mol. Phys. 100, 3803-3815 (2002)
19. Kierlik, E.; Monson, P.A.; Rosinberg, M.L.; Tarjus, G.: Adsorption hysteresis and capillary condensation in disordered porous solids: a density functional study. J. Phys.-Condens. Mater 14, 9295-9315 (2002)
20. Klomkliang, N.; Do, D.D.; Nicholson, D.: On the hysteresis and equilibrium phase transition of argon and benzene adsorption in finite slit pores: Monte Carlo vs Bin-Monte Carlo. Chem. Eng. Sci. 87, 327-337 (2013)
21. Kruk, M.; Jaroniec, M.: Argon adsorption at 77 K as a useful tool for the elucidation of pore connectivity in ordered materials with large cagelike mesopores. Chem. Mater. 15, 2942-2949 (2003)
22. Libby, B.; Monson, P.A.: Adsorption/desorption hysteresis in inkbottle pores: a density functional theory and Monte Carlo simulation study. Langmuir 20, 4289-4294 (2004)
23. Liu, H.; Zhang, L.; Seaton, N.A.: Sorption hysteresis as a probe of pore structure. Langmuir 9(10), 2576-2582 (1993)
24. Liu, J.; Zhang, L.; Yang, Q.; Li, C.: Structural control of mesoporous silicas with large nanopores in a mild buffer solution. Microporous Mesoporous Mater. 116, 330-338 (2008)
25. Liu, Z.J.; Herrera, L.; Nguyen, V.T.; Do, D.D.; Nicholson, D.: A Monte Carlo scheme based on Mid-Density in a hysteresis loop to determine equilibrium phase transition. Mol. Simul. 37, 932-939 (2011)
26. Liu, Z.J.; Do, D.D.; Nicholson, D.: A thermodynamic study of the Mid-Density scheme to determine the equilibrium phase transition in cylindrical pores. Mol. Simul. 38, 189-199 (2012)
27. Lu, A.H.; Schüth, F.: Nanocasting pathways to create ordered mesoporous solids. C. R. Chim. 8, 609-620 (2005)
28. Lu, A.H.; Schüth, F.: Nanocasting: a versatile strategy for creating nanostructured porous materials. Adv. Mater. 18, 1793-1805 (2006)
29. Mason, G.: A model of adsorption-desorption hysteresis in which hysteresis is primarily developed by the interconnections in a network of pores. Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences, 390: p. 47-72 (1983)
30. Mayagoitia, V.; Rojas, F.; Kornhauser, I.; Pérez-Aguilar, H.: Modeling of porous media and surface structures: their true essence as networks. Langmuir 13, 1327-1331 (1997)
31. McBain, J.W.: An explanation of hysteresis in the hydration and dehydration of gels. J. Am. Chem. Soc. 57, 699-700 (1935)
32. Morishige, K.: Adsorption hysteresis in ordered mesoporous silicas. Adsorpt.-J. Int. Adsorpt. Soc. 14, 157-163 (2008)
33. Morishige, K.; Ito, M.: Capillary condensation of nitrogen in MCM-41 and SBA-15. J. Chem. Phys. 117, 8036-8041 (2002)
34. Morishige, K.; Tateishi, N.: Adsorption hysteresis in ink-bottle pore. J. Chem. Phys. 119, 2301-2306 (2003)
35. Morishige, K.; Yasuki, T.: Large-pore cagelike silica with necks of molecular dimensions. J. Phys. Chem. C 114, 10910-10916 (2010)
36. Morishige, K.; Yoshida, K.: Neck size of ordered cage-type mesoporous silica FDU-12 and origin of gradual desorption. J. Phys. Chem. C 114, 7095-7101 (2010)
37. Morishige, K.; Tateishi, N.; Fukuma, S.: Capillary condensation of nitrogen in MCM-48 and SBA-16. J. Phys. Chem. B 107, 5177-5181 (2003)
38. Morishige, K.; Tateishi, M.; Hirose, F.; Aramaki, K.: Change in desorption mechanism from pore blocking to cavitation with temperature for nitrogen in ordered silica with cagelike pores. Langmuir 22, 9220-9224 (2006)
39. Neimark, A.V.; Vishnyakov, A.: Gauge cell method for simulation studies of phase transitions in confined systems. Phys. Rev. E 62, 4611-4622 (2000)
40. Neimark, A.V.; Ravikovitch, P.I.; Vishnyakov, A.: Bridging scales from molecular simulations to classical thermodynamics: density functional theory of capillary condensation in nanopores. J. Phys.-Condens Matter 15, 347-365 (2003)
41. Nguyen, P.T.M.; Do, D.D.; Nicholson, D.: On the cavitation and pore blocking in cylindrical pores with simple connectivity. J. Phys. Chem. B 115, 12160-12172 (2011)
42. Nguyen, P.; Fan, C.; Do, D.D.; Nicholson, D.: On the cavitation-like pore blocking in ink-bottle pore. J. Phys. Chem. C 117, 5475 (2013)
43. Nicholson, D.: Capillary models for porous media - part 2: sorption desorption hysteresis in three dimensional networks. Trans. Faraday Soc. 64, 3416-3424 (1968)
44. Peterson, B.K.; Gubbins, K.E.: Phase transitions in a cylindrical pore: grand canonical Monte-Carlo, mean field-theory and the Kelvin equation. Mol. Phys. 62, 215-226 (1987)
45. Peterson, B.K.; Gubbins, K.E.; Heffelfinger, G.S.; Marconi, U.M.B.; Vanswol, F.: Lennard-Jones fluids in cylindrical pores: nonlocal theory and computer-simulation. J. Chem. Phys. 88, 6487-6500 (1988)
46. Puibasset, J.: Counting metastable states within the adsorption/ desorption hysteresis loop: a molecular simulation study of confinement in heterogeneous pores. J. Chem. Phys. 133, 104701-104714 (2010)
47. Rasmussen, C.J.; Vishnyakov, A.; Thommes, M.; Smarsly, B.M.; Kleitz, F.; Neimark, A.V.: Cavitation in metastable liquid nitrogen confined to nanoscale pores. Langmuir 26, 10147-10157 (2010)
48. Rasmussen, C.J.; Gor, G.Y.; Neimark, A.V.: Monte Carlo simulation of cavitation in pores with nonwetting defects. Langmuir 28, 4702-4711 (2012)
49. Ravikovitch, P.I.; Neimark, A.V.: Experimental confirmation of different mechanisms of evaporation from ink-bottle type pores: equilibrium, pore blocking, and cavitation. Langmuir 18, 9830-9837 (2002)
50. Reichenbach, C.; Kalies, G.; Enke, D.; Klank, D.: Cavitation and pore blocking in nanoporous glasses. Langmuir 27, 10699-10704 (2011)
51. Rigby, S.P.; Fletcher, R.S.: Experimental evidence for pore blocking as the mechanism for nitrogen sorption hysteresis in a mesoporous material. J. Phys. Chem. B 108, 4690-4695 (2004)
52. Rowley, L.A.; Nicholson, D.; Parsonage, N.G.: Monte-Carlo grand canonical ensemble calculation in a gas-liquid transition region for 12-6 argon. J. Comput. Phys. 17, 401-414 (1975)
53. Sahu, D.R.; Hong, L.Y.; Wang, S.C.; Huang, J.L.: Synthesis, analysis and characterization of ordered mesoporous TiO2/SBA-15 matrix: effect of calcination temperature. Microporous Mesoporous Mater. 117, 640-649 (2009)
54. Sarkisov, L.; Monson, P.A.: Modeling of adsorption and desorption in pores of simple geometry using molecular dynamics. Langmuir 17, 7600-7604 (2001)
55. Sing, K.S.W.; Everett, D.H.; Haul, R.A.W.; Moscou, L.; Pierotti, R.A.; Rouquerol, J.; Siemieniewska, T.: Reporting physisorption data for gas/solid systems with special reference to the determination of surface area and porosity (Recommendations 1984). Pure Appl. Chem. 57, 603-619 (1985)
56. Steele, W.A.: Physical interaction of gases with crystalline solids - 1 Gas-solid energies and properties of isolated adsorbed atoms. Surf. Sci. 36, 317-352 (1973)
57. Thommes, M.; Smarsly, B.; Groenewolt, M.; Ravikovitch, P.I.; Niemark, A.V.: Adsorption hysteresis of nitrogen and argon in pore networks and characterization of novel micro- and mesoporous silicas. Langmuir 22, 756-764 (2006)
58. Vishnyakov, A.; Neimark, A.V.: Studies of liquid-vapor equilibria, criticality, and spinodal transitions in nanopores by the gauge cell Monte Carlo simulation method. J. Phys. Chem. B 105, 7009-7020 (2001)
59. Vishnyakov, A.; Neimark, A.V.: Monte Carlo simulation test of pore blocking effects. Langmuir 19, 3240-3247 (2003a)
60. Vishnyakov, A.; Neimark, A.V.: Nucleation of liquid bridges and bubbles in nanoscale capillaries. J. Chem. Phys. 119, 9755-9764 (2003b)