Statistical analysis and Partial Least Square regression as new tools for modelling and understanding the adsorption properties of zeolites

Microporous and Mesoporous Materials

Volumn 132, Issue 1-2, 2010, Pages 246-257

  Leflaive, P ^a   Pirngruber, G D ^a   Faraj, A ^a   Martin, P ^b   Baron, G V ^b   Denayer, J F M ^b  

^a IFP ENERGIES NOUVELLES   (France)

^b VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

Author keywords

Beta; Faujasite; Mordenite; ZSM 22; ZSM 5

Indexed keywords

ADSORPTION BEHAVIOUR; ADSORPTION ENTHALPIES; ADSORPTION PROPERTIES; BRANCHED ALKANES; CARBON ATOMS; CLUSTERING ANALYSIS; CONNECTIVITY INDICES; DEGREE OF BRANCHING; DESCRIPTORS; EXPERIMENTAL VALUES; FAUJASITES; LINEAR RELATIONSHIPS; MODEL-BASED; MORDENITES; NEW TOOLS; PARTIAL LEAST SQUARE REGRESSION; PARTIAL LEAST-SQUARES REGRESSION; PORE ZEOLITES; PREDICTIVE MODELS; SHAPE INDICES; STATISTICAL ANALYSIS; STATISTICAL DATA ANALYSIS; TOPOLOGICAL DESCRIPTORS; TRAINING SETS; WIENER INDEX;

ADSORBATES; ADSORPTION; ENTHALPY; MOLECULES; PARAFFINS; PRINCIPAL COMPONENT ANALYSIS; SILICATE MINERALS; SODIUM;

ZEOLITES;

EID: 77950340683     PISSN: 13871811     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.micromeso.2010.03.004     Document Type: Article

References (37)

1. Smit B., and Maesen T.L.M. Nature 451 (2008) 671-678
2. Smit B. Chem. Rev. 108 (2008) 4125-4184
3. Narasimham C.S.L., Thybaut J.W., Marin G.B., Martens J.A., Denayer J.F.M., and Baron G.V. J. Catal. 218 (2003) 135-147
4. Webster C.E., and Drago R.S. Micropor. Mesopor. Mater. 33 (1999) 291-306
5. Mills P.L., and Nicole J.F. Chem. Eng. Sci. 59 (2004) 5345-5354
6. Richte M., Langpape M., Kolf S., Grubert G., Eckelt R., Radnik J., Schneider M., Pohl M.-M., and Fricke R. Appl. Catal. B Environ. 36 (2002) 261-277
7. Morra G., Desmartin-Chomel A., Daniel C., Ravon U., Farrusseng D., Cowan R., Krusche M., and Mirodatos C. Chem. Eng. J. 138 (2008) 379-388
8. Janssen K.P.F., Paul J.S., Sels B.F., and Jacobs P.A. Appl. Surf. Sci. 254 (2007) 699-703
9. Paul J.S., Janssens R., Denayer J.F.M., Baron G.V., and Jacobs P.A. Comb. Chem. 7 (2005) 407-413
10. Pereira S.R.M., Clerc F., Farrusseng D., van der Waal J.C., Maschmeyer T., and Mirodatos C. QSAR Comb. Sci. 24 (2005) 45-57
11. Wu J., Strömqvist M.E., Claesson O., Fängmark I.E., and Hammarström L.-G. Carbon 40 (2002) 2587-2596
12. Nirmalakhandan N., and Speece R.E. Environ. Sci. Technol. 27 (1993) 1512-1516
13. Prakash J., Nirmalakhandan N., and Speece R.E. Environ. Sci. Technol. 28 (1994) 1403-1409
14. Brasquet C., and Le Cloirec P. Water Res. 33 (1999) 3603-3608
15. Brasquet C., Bourges B., and Le Cloirec P. Environ. Sci. Technol. 33 (1999) 4226-4231
16. Giraudet S., Pré P., Tezel H., and Le Cloirec P. Carbon 44 (2006) 1413-2421
17. Meeks O.R., and Rybolt T.R. J. Colloid Interface Sci. 196 (1997) 103-109
18. Maesen T.L.M., Schenk M., Vlugt T.J.H., de Jonge J.P., and Smit B. J. Catal. 188 (1999) 403-412
19. Wender A., Barreau A., Lefebvre C., Di Lella A., Boutin A., Ungerer P., and Fuchs A.H. Adsorption 13 (2007) 439-451
20. Denayer J.F.M., Souverijns W., Jacobs P.A., Martens J.A., and Baron G.V. J. Phys. Chem. B 102 (1998) 4588-4597
21. Livingstone D. Data Analysis for Chemists (2002), Oxford University Press
22. .
23. Eder F., and Lercher J.A. J. Phys. Chem. B 101 (1997) 1273-1278
24. Lu L., Lu X., Chen Y., Huang L., Shao Q., and Wang Q. Fluid Phase Equilib. 259 (2007) 135-145
25. Eder F., Stockenhuber M., and Lercher J.A. J. Phys. Chem. B 101 (1997) 5414-5419
26. Denayer J.F.M., Baron G.V., Martens J.A., and Jacobs P.A. J. Phys. Chem. B 102 (1998) 3077-3081
27. Martens H., and Naes T. Multivariate Calibration (1989), John Willey & Sons
28. Eriksson L., Johansson E., Kettaneh-Wold N., Wikström C., and Wold S. Design of Experiments. Principles and Applications (2000), Umetrics AB
29. Garson G.D. AI Expert 6 (1991) 47-51
30. L.H. Hall, L.B. Kier, The molecular connectivity chi indexes and kappa shape indexes in structure-property modeling, in: K.B. Lipkowitz, D.B. Boyd (Eds.), Reviews in Computational Chemistry II, 1991, pp. 367-422.
31. Balaban A.T. Chem. Phys. Lett. 89 (1982) 399-404
32. Wiener H. J. Am. Chem. Soc. 69 (1947) 17-20
33. Bonchev D. In: Bawden D.D. (Ed). Information Theoretic Indices for Characterization of Chemical Structures. Chemometrics Series vol. 5 (1983), Research Studies Press Ltd., New York
34. Kier L.B., and Hall L.H. In: deStevens G. (Ed). Molecular Connectivity Indices in Chemistry and Drug Research. Medicinal Chemistry vol. 14 (1976), Academic Press, New York
35. Denayer J.F., Ocakoglu A.R., Huybrechts W., Martens J.A., Thybaut J.W., Marin G.B., and Baron G.V. Chem. Commun. (2003) 1880-1881
36. Ocakoglu R.A., Denayer J.F.M., Marin G.B., Martens J.A., and Baron G.V. J. Phys. Chem. B 107 (2003) 398-406
37. Leflaive P., and Frising T. Micropor. Mesopor. Mater. 114 (2008) 27-63