Molecular simulation and adsorption studies of n-hexane in ZSM-11 zeolites

Microporous and Mesoporous Materials

Volumn 142, Issue 1, 2011, Pages 258-267

  Marguta, R ^a   Khatib, S J ^a   Guil, J M ^a   Lomba, E ^a   Noya, E G ^a   Perdigon Melon J A ^a   Valencia, S ^b  

^a INSTITUTO DE QUÍMICA FÍSICA ROCASOLANO   (Spain)

^b INSTITUTO DE TECNOLOGÍA QUÍMICA   (Spain)

Author keywords

Adsorption microcalorimetry in zeolites; Molecular simulation; n Alkane adsorption; Packing effects; ZSM 11

Indexed keywords

ADSORPTION MICROCALORIMETRY IN ZEOLITES; MOLECULAR SIMULATION; N-ALKANES; PACKING EFFECTS; ZSM-11;

ADSORPTION; ANGULAR DISTRIBUTION; BUTANE; DISTRIBUTION FUNCTIONS; HEXANE; MOLECULAR STRUCTURE; MONTE CARLO METHODS; SILICA; SILICATE MINERALS; ZEOLITES;

COMPUTER SIMULATION;

EID: 79952624974     PISSN: 13871811     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.micromeso.2010.12.009     Document Type: Article

References (34)

1. B. Smit, and T.L.M. Maesen Chem. Rev. 108 2008 4125 4184
2. J.F. Stroud, E. Richards, P. Limcharoen, and N.G. Parsonage Chem. Soc. Faraday Trans. 1 72 1976 942 954
3. R.E. Richard, and L.V.C. Rees Langmuir 3 1987 335 340
4. M.S. Sun, O. Talu, and D.B. Shah J. Phys. Chem. 100 1996 17276 17280
5. Y. Yang, and L.V.C. Rees Microporous Mater. 12 1997 223 228
6. Y. Yang, and L.V.C. Rees Microporous Mater. 12 1997 117 122
7. B. Millot, A. Methivier, and J. Jobic J. Phys. Chem. B 102 1998 3210 3215
8. T.J.H. Vlugt, R. Krishna, and B. Smit J. Phys. Chem. B 103 1999 1102 1118
9. Z. Du, G. Manos, T.J.H. Vlugt, and B. Smit Angew. Chem. Int. Ed. 44 1998 1756 1764
10. R.L. June, A.L. Bell, and D.N. Theodorou J. Phys. Chem. 96 1997 1051 1060
11. B. Smit, and T.L.M. Maesen Nature 374 1995 42 44
12. T. Vlugt, Adsorption and Diffusion in Zeolites: A Computational Study, Ph.D. Thesis, University of Amsterdam, 2000.
13. J.M. Guil, R. Guil-López, J.A. Perdigón-Melón, and A. Corma Microporous Mesoporous Mater. 22 1998 269 279
14. W. Makowski, and D. Majda Appl. Surf. Sci. 252 2005 707 715
15. K.M.A. De Meyer, S. Chempath, J.F.M. Denayer, J.A. Martens, R.Q. Snurr, and G.V. Baron J. Phys. Chem. B 107 2003 10760 10766
16. J. Groen, L. Peffer, J. Moulin, and J. Pérez-Ramírez Colloids Surf. A 241 2004 53 58
17. Y. Nakagawa, WO Patent 95 09812, 1995.
18. O. Terasaki, T. Oshuna, H. Sakuma, D. Watanabe, Y. Nakagawa, and R. Medrud Chem. Mater. 8 1996 463 468
19. J.M. Guil, A. Pérez Masiá, A. Ruiz Paniego, and J.M. Trejo Menayo Thermochim. Acta 312 1998 115
20. J.M. Guil, A. Pérez Masiá, A. Ruiz Paniego, and J.M. Trejo Menayo J. Chem. Thermodyn. 26 1994 5
21. T.J.H. Vlugt, B. Smit, The BIGMAC Simulation Code, Available from: .
22. M. Frenkel (Ed.), TRC Thermodynamic Tables. Hydrocarbons TRC/NIST, Boulder, CO, 1985.
23. D. Nicholson, and N. Parsonage Computer Simulation and the Statistical Mechanics of Adsorption 1982 Academic London, UK
24. F. Karavias, and A.L. Myers Langmuir 7 1991 3118 3126
25. T.J.H. Vlugt, E. Garcia-Perez, D. Dubbeldam, S. Ban, and S. Calero J. Chem. Theory Comput. 4 2008 1107
26. D. Dubbeldam, S. Calero, T.J.H. Vlugt, R. Krishna, T.L.M. Maesen, and B. Smit J. Phys. Chem. B 108 2004 12301 12313
27. H. Thamm, H. Stach, and W. Fiebig Zeolites 3 1993 95
28. F. Eder, M. Stockenhuber, and J.A. Lercher J. Phys. Chem. B 101 1997 5414
29. S. Gregg, and K. Sing Adsorption, Surface Area and Porosity 1982 Academic London, UK
30. J. Anta, Ph.D. Thesis, Universidad Complutense de Madrid, 1997.
31. K.S. Walton, and R.Q. Snurr J. Am. Chem. Soc. 129 2007 8552 8556
32. H. Frost, T. Düren, and R.Q. Snurr J. Phys. Chem. B 110 2006 9565 9570
33. S. Calero Modeling transport and accessibility in zeolites J. Cejka, A. Corma, S. Zones, Zeolites and Catalysis vol. 1 2010 Wiley-VCH 335 360 Ch. 12
34. E. Lemmon, M. McLinden, D. Friend, Thermophysical properties of fluid systems, in: NIST Chemistry WebBook, National Institute of Standards and Technology, Gaithersburg, MD, 2009.