MENU
  • Scitation Home
SUBMIT YOUR ARTICLE

Thank you

For your interest in the The Journal of Chemical Physics (JCP)

Check for updates on crossmark
Prev Next
Published Online: 09 June 2014
Accepted: May 2014

Adsorption of probe molecules in pillared interlayered clays: Experiment and computer simulation

J. Chem. Phys. 140, 224701 (2014); https://doi.org/10.1063/1.4880962
A. Gallardo1, a), J. M. Guil1, E. Lomba1, N. G. Almarza1, S. J. Khatib1, b), C. Cabrillo2, A. Sanz2, and J. Pires3
more...View Affiliations
  • 1Instituto de Química Física Rocasolano, CSIC, Serrano 119, E-28006 Madrid, Spain
  • 2Instituto de Estructura de la Materia, CSIC, Serrano 123, E-28006 Madrid, Spain
  • 3Centro de Química e Bioquímica da Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa, Portugal

  • a)Electronic mail:

    b)Present address: Chemical Engineering Department, Virginia Tech University, Blacksburg, Virginia 24061, USA.

Abstract
In this paper we investigate the adsorption of various probe molecules in order to characterize the porous structure of a series of pillared interlayered clays (PILC). To that aim, volumetric and microcalorimetric adsorption experiments were performed on various Zr PILC samples using nitrogen, toluene, and mesitylene as probe molecules. For one of the samples, neutron scattering experiments were also performed using toluene as adsorbate. Various structural models are proposed and tested by means of a comprehensive computer simulation study, using both geometric and percolation analysis in combination with Grand Canonical Monte Carlo simulations in order to model the volumetric and microcalorimetric isotherms. On the basis of this analysis, we propose a series of structural models that aim at accounting for the adsorption experimental behavior, and make possible a microscopic interpretation of the role played by the different interactions and steric effects in the adsorption processes in these rather complex disordered microporous systems.

ACKNOWLEDGMENTS

The authors acknowledge the support from the Dirección General de Investigación Científica y Técnica under Grant Nos. FIS2010-15502 and MAT2012-33633 and from the Dirección General de Universidades e Investigación de la Comunidad de Madrid under Grant No. S2009/ESP/1691 and Program MODELICO-CM. We are very grateful for the computer resources provided by IBERCIVIS project. The CSIC is also acknowledged for providing support in the form of Project No. PIE 201080E120. J.P. also acknowledges FCT for PEst-OE/QUI/UI0612/2014. A.G. acknowledges financial support from JAE-Predoc program. Very helpful assistance by Dr. Silvia Imberti from ISIS during the neutron experiments and posterior data reduction is acknowledged.

REFERENCES

  1. 1. A. Corma, Chem. Rev. 97, 2373 (1997). https://doi.org/10.1021/cr960406n , Google ScholarCrossref
  2. 2. C. Mott, Catal. Today 2, 199 (1988). https://doi.org/10.1016/0920-5861(88)85003-X , Google ScholarCrossref
  3. 3. J. Guil, J. Perdigón-Melón, M. B. de Carvalho, A. Carvalho, and J. Pires, Microporous Mesoporous Mater. 51, 145 (2002). https://doi.org/10.1016/S1387-1811(01)00477-2 , Google ScholarCrossref
  4. 4. T. A. Steriotis, K. L. Stefanopoulos, U. Keiderling, A. D. Stefanis, and A. A. G. Tomlinson, Chem. Commun. 2002, 2396–2397. https://doi.org/10.1039/b207392g , Google ScholarCrossref
  5. 5. A. D. Stefanis, A. Tomlinson, T. Steriotis, G. Charalambopoulou, and U. Keiderling, Appl. Surf. Sci. 253, 5633 (2007). https://doi.org/10.1016/j.apsusc.2006.12.095 , Google ScholarCrossref
  6. 6. D. P. Landau and K. Binder, A Guide to Monte Carlo Simulations in Statistical Physics, 2nd ed. (Cambridge University Press, 2005). Google ScholarCrossref
  7. 7. X. Yi, K. S. Shing, and M. Sahimi, AIChE J. 41, 456 (1995). https://doi.org/10.1002/aic.690410304 , Google ScholarCrossref
  8. 8. X. Yi, K. S. Shing, and M. Sahimi, Chem. Eng. Sci. 51, 3409 (1996). https://doi.org/10.1016/0009-2509(95)00415-7 , Google ScholarCrossref
  9. 9. X. Yi, J. Ghassemzadeh, K. S. Shing, and M. Sahimi, J. Chem. Phys. 108, 2178 (1998). https://doi.org/10.1063/1.475598 , Google ScholarScitation
  10. 10. J. Ghassemzadeh, L. Xu, T. T. Tsotsis, and M. Sahimi, J. Phys. Chem. B 104, 3892 (2000). https://doi.org/10.1021/jp993602h , Google ScholarCrossref
  11. 11. D. Cao and W. Wang, Phys. Chem. Chem. Phys. 3, 3150 (2001). https://doi.org/10.1039/b102109p , Google ScholarCrossref
  12. 12. D. Cao, W. Wang, and X. Duan, J. Colloid Interface Sci. 254, 1 (2002). https://doi.org/10.1006/jcis.2002.8543 , Google ScholarCrossref
  13. 13. D. Cao and W. Wang, Phys. Chem. Chem. Phys. 4, 3720 (2002). https://doi.org/10.1039/b110485c , Google ScholarCrossref
  14. 14. D. Efremov, T. Kuznetsova, V. Doronin, and V. Sadykov, J. Phys. Chem. B 109, 7451 (2005). https://doi.org/10.1021/jp045100w , Google ScholarCrossref
  15. 15. W.-Z. Li, Z.-Y. Liu, Y.-L. Che, and D. Zhang, J. Colloid Interface Sci. 312, 179 (2007). https://doi.org/10.1016/j.jcis.2007.04.014 , Google ScholarCrossref
  16. 16. X. Peng, J. Zhao, and D. Cao, J. Colloid Interface Sci. 310, 391 (2007). https://doi.org/10.1016/j.jcis.2007.02.009 , Google ScholarCrossref
  17. 17. J. Ghassemzadeh and M. Sahimi, Mol. Phys. 102, 1447 (2004). https://doi.org/10.1080/00268970410001723037 , Google ScholarCrossref
  18. 18. M. Matusewicz, A. Patrykiejew, S. Sokolowski, and O. Pizio, J. Chem. Phys. 127, 174707 (2007). https://doi.org/10.1063/1.2780890 , Google ScholarScitation
  19. 19. L. Pérez, S. Sokolowski, and O. Pizio, J. Chem. Phys. 109, 1147 (1998). https://doi.org/10.1063/1.476659 , Google ScholarScitation
  20. 20. O. Pizio and S. Sokolowski, Phys. Rev. E 56, R63 (1997). https://doi.org/10.1103/PhysRevE.56.R63 , Google ScholarCrossref
  21. 21. E. Lomba and J.-J. Weis, J. Chem. Phys. 132, 104705 (2010). https://doi.org/10.1063/1.3357351 , Google ScholarScitation
  22. 22. O. Pizio, S. Sokolowski, and Z. Sokolowska, J. Chem. Phys. 134, 214702 (2011). https://doi.org/10.1063/1.3597773 , Google ScholarScitation, ISI
  23. 23. J. P. Olivier and M. L. Occelli, J. Phys. Chem. B 105, 623 (2001). https://doi.org/10.1021/jp001822l , Google ScholarCrossref
  24. 24. P. R. Pereira, J. Pires, and M. Brotas de Carvalho, Langmuir 14, 4584 (1998). https://doi.org/10.1021/la980209e , Google ScholarCrossref
  25. 25. R. Grim, Clay Mineralogy (McGraw-Hill, New York, 1968). Google Scholar
  26. 26. K. Ohtsuka, Y. Hayashi, and M. Suda, Chem. Mater. 5, 1823 (1993). https://doi.org/10.1021/cm00036a022 , Google ScholarCrossref
  27. 27. D. Zyuzin, E. Moroz, T. Kuznetsova, V. Sadykov, and V. Doronin, React. Kinet. Catal. Lett. 81, 137 (2004). https://doi.org/10.1023/B:REAC.0000016527.92435.63 , Google ScholarCrossref
  28. 28. H. Jung, S.-M. Paek, J.-B. Yoon, and J.-H. Choy, J. Porous Mater. 14, 369 (2007). https://doi.org/10.1007/s10934-006-9002-5 , Google ScholarCrossref
  29. 29. N. G. Almarza, A. Gallardo, C. Martín, J. M. Guil, and E. Lomba, J. Chem. Phys. 131, 244701 (2009). https://doi.org/10.1063/1.3273209 , Google ScholarScitation
  30. 30. S. Torquato, Random Heterogeneous Materials. Microstructure and Macroscopic Properties (Springer, 2002). Google ScholarCrossref
  31. 31. C. Martín, M. Lombardero, M. Alvarez, and E. Lomba, J. Chem. Phys. 102, 2092 (1995). https://doi.org/10.1063/1.468730 , Google ScholarScitation
  32. 32. C. Nieto-Draghi, P. Bonnaud, and P. Ungerer, J. Phys. Chem. C 111, 15686 (2007). https://doi.org/10.1021/jp0737146 , Google ScholarCrossref
  33. 33. H. Hamaker, Physica 4, 1058 (1937). https://doi.org/10.1016/S0031-8914(37)80203-7 , Google ScholarCrossref
  34. 34. D. Stauffer and A. Aharony, Introduction to Percolation Theory, 2nd ed. (Taylor and Francis, 2203). Google Scholar
  35. 35. H. A. Lorentz, Ann. Phys. 248, 127 (1881). https://doi.org/10.1002/andp.18812480110 , Google ScholarCrossref
  36. 36. D. Berthelot, C. R. Acad. Sci. 126, 1703 (1898). Google Scholar
  37. 37. T. W. Leland, J. S. Rowlinson, G. A. Sather, and I. D. Watson, Trans. Faraday Soc. 65, 2034 (1969). https://doi.org/10.1039/tf9696502034 , Google ScholarCrossref
  38. 38. P. Bonnaud, C. Nieto-Draghi, and P. Ungerer, J. Phys. Chem. B 111, 3730 (2007). https://doi.org/10.1021/jp067695w , Google ScholarCrossref
  39. 39. W. A. Steele, Surf. Sci. 36, 317 (1973). https://doi.org/10.1016/0039-6028(73)90264-1 , Google ScholarCrossref
  40. 40. D. Moore and R. Reynolds, X-Ray Diffraction and the Identification and Analysis of Clay Minerals (Oxford University Press, 1989). Google Scholar
  41. 41. S. Karanikas, J. Dzubiella, A. Moncho-Jordá, and A. A. Louis, J. Chem. Phys. 128, 204704 (2008). https://doi.org/10.1063/1.2921134 , Google ScholarScitation
  42. 42. D. W. Siderius and L. D. Gelb, J. Chem. Phys. 135, 084703 (2011). https://doi.org/10.1063/1.3626804 , Google ScholarScitation
  43. 43. O. Redlich and J. N. S. Kwong, Chem. Rev. 44, 233 (1949). https://doi.org/10.1021/cr60137a013 , Google ScholarCrossref
  44. 44. M. Benedict, G. B. Webb, and L. C. Rubin, J. Chem. Phys. 8, 334 (1940). https://doi.org/10.1063/1.1750658 , Google ScholarScitation
  45. 45. J. K. Johnson, J. A. Zollweg, and K. E. Gubbins, Mol. Phys. 78, 591 (1993). https://doi.org/10.1080/00268979300100411 , Google ScholarCrossref
  46. 46. M. Moussa, R. Muijlwijk, and H. V. Dijk, Physica 32, 900 (1966). https://doi.org/10.1016/0031-8914(66)90021-8 , Google ScholarCrossref
  47. 47. W. J. Gaw and F. L. Swinton, Trans. Faraday Soc. 64, 2023 (1968). https://doi.org/10.1039/tf9686402023 , Google ScholarCrossref
  48. 48. J. M. Stuckey and J. H. Saylor, J. Am. Chem. Soc. 62, 2922 (1940). https://doi.org/10.1021/ja01868a011 , Google ScholarCrossref
  49. 49. F. Karavias and A. L. Myers, Langmuir 7, 3118 (1991). https://doi.org/10.1021/la00060a035 , Google ScholarCrossref
  50. 50. G. D. Brunton, Clays Clay Miner. 36, 94 (1988). https://doi.org/10.1346/CCMN.1988.0360112 , Google ScholarCrossref
  51. 51. C. G. Pope, J. Phys. Chem. 90, 835 (1986). https://doi.org/10.1021/j100277a025 , Google ScholarCrossref
  52. 52. J. Jänchen, H. Stach, P. Grobet, J. Martens, and P. Jacobs, Zeolites 12, 9 (1992). https://doi.org/10.1016/0144-2449(92)90002-7 , Google ScholarCrossref
  53. 53. W. L. Jorgensen, E. R. Laird, T. B. Nguyen, and J. Tirado-Rives, J. Comput. Chem. 14, 206 (1993). https://doi.org/10.1002/jcc.540140208 , Google ScholarCrossref
  54. 54. E. Lorch, J. Phys. C: Solid State Phys. 2, 229 (1969). https://doi.org/10.1088/0022-3719/2/2/305 , Google ScholarCrossref
  55. 55. For this coarse calculations we have used the Java programs available in the NIST Center for neutron research, http://www.ncnr.nist.gob/resources/sansmodels/. Google Scholar
  56. © 2014 AIP Publishing LLC.

Article Metrics

Views
25
Citations
Crossref 0
Web of Science
ISI 0

Altmetric

Please Note: The number of views represents the full text views from December 2016 to date. Article views prior to December 2016 are not included.