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Application Of Genetic Algorithms To The Development And Optimisation Of Light Paraffin Isomerisation Catalysts

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Principles and Methods for Accelerated Catalyst Design and Testing

Part of the book series: NATO Science Series ((NAII,volume 69))

Abstract

Combinatorial catalysis [16] is a methodology where a large number of new materials are prepared and tested in a parallel fashion. The global search/optimisation strategy is the main difference with the traditional catalyst research and should allow the reduction of the number of experiments needed to find an optimal catalyst composition. Combinatorial catalysis involves the coordination of: high-throughput systems [712] for preparation, characterisation and catalytic test; large information data management; and rapid optimisation techniques. This promising approach requires therefore the development and optimisation of the following items: (i) high-throughput equipment, which allows the reliable preparation and characterisation/testing preferentially under realistic conditions of larger quantities of materials (ii) optimisation techniques, adapting their structure and parameters by implementing the chemical knowledge/experience of the experts. With this, it would be possible to increase the number of variables to study and this would result in a potentially rather more powerful final catalyst and shorter search times. Indeed, if this methodology is properly followed it can be very helpful in the scientific understanding of catalysis.

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References

  1. Senkan, S. (2001), Angewandte Chemie Int. Ed., 40, 312–329.

    Article  CAS  Google Scholar 

  2. Senkan, S. (1998), Nature, 394, 350–353.

    Article  CAS  Google Scholar 

  3. Cong, P. et al. (1999), Angewandte Chemie Int. Ed., 38, 483–488.

    Article  Google Scholar 

  4. Jandeleit, B. et al. (1998), Chemistry&Industry, 795–798.

    Google Scholar 

  5. Derouane, E., Lemos, F., Corma, A. and Ribeiro, F. Ramoa(2000), Proceedings of a NATO ASI Meeting, held 11-24, July 1999, in Vilamoura, Portugal, 512.

    Google Scholar 

  6. Rodemerck, U., Wolf, D., Buyevskaya, O.V., Claus, P., Senkan, S.and Baerns M. (2001),Chem. Eng. J, 82, 3–11.

    Article  CAS  Google Scholar 

  7. Cong, P., Guan, S., McFarland, E.and Weinberg, H. (1999), US Patent 5959297.

    Google Scholar 

  8. Goldwasser, I., Schultz, P.and Xiang X. (1999) Patent 6004617.

    Google Scholar 

  9. Morken, J., Taylor S. J. (2001) World Patent 99/21957.

    Google Scholar 

  10. Haushalter, R., Wang, X., Guan, S., Srinivasan, R., Van Erden, L. and Zhou, X.P. (2000) World Pantent 99/64160.

    Google Scholar 

  11. Senkan, S. (2000) World Patent 00/29844.

    Google Scholar 

  12. Schüth, F. et al. (2001) J. Cat. 198, 348–354.

    Article  Google Scholar 

  13. Holzwarth, A. et al. (1998) Angewandte Chemie. Int. Ed., 37, 2644.

    Article  CAS  Google Scholar 

  14. Reddington, E. et al. (1998) Science, 280, 1735.

    Article  CAS  Google Scholar 

  15. Cong, P. et al.(1999) Angewandte Chemie Int. Ed., 38, 484.

    Article  CAS  Google Scholar 

  16. Hagen J. (1999) “Industrial Catalysis”, Wiley-VCH, Chapter 7.

    Google Scholar 

  17. Spendley, G.R. Hext and F.R. Himsworth (1962), “Sequential Application of Simplex Designs in Optimization and Evolutionary Operation”, Technometrics 4, 441–461.

    Article  Google Scholar 

  18. Neider, J.A._and Mead, R. (1965), “A Simplex Method for Function Minimization”, Computer Journal, 7, 308–313.

    Article  Google Scholar 

  19. Box, G.E.P.(1965) Computer Journal, 8, 42–52.

    Google Scholar 

  20. Esteban, P. (1992), “Mathematical Modelling, Simulation and Optimization of the Kinetics of the n-Pentane Catalytic Oxidation Reaction in a Fixed Bed Tubular Chemical Reactor”, Msc Thesis, Valencia.

    Google Scholar 

  21. Powell, M.J. (1992), Computer Journal, 15, 148–155.

    Article  Google Scholar 

  22. Wolf, D., Buyevskaya, O.V. and Baerns, M. (2000) Appl. Catal. A, 200, 63–77.

    Article  CAS  Google Scholar 

  23. Weber, L. (1998), Drug Discovery Today, 3, 379.

    Article  CAS  Google Scholar 

  24. Goldberg, D.E. (1989), “Genetic Algorithms”, Addison-Wesley.

    Google Scholar 

  25. McLeod, A.S. et al. (2000), Stud. Surf. Sci. Catal., 130B, 1169–1174.

    Article  CAS  Google Scholar 

  26. McLeod, A. S. et al. (1997), J.Catal. 167(1), 279–285.

    Article  CAS  Google Scholar 

  27. Andrews, J., Spencer, A., Tucker II, G. (2001), World Patent 00/15351.

    Google Scholar 

  28. Bulsari, A.B. (1995), “Neural Networks for Chemical Engineers”, Elsevier, Amsterdam.

    Google Scholar 

  29. Hou, Z.-Y. et al. (1997), Appl. Catal. A, 161, 183.

    Article  CAS  Google Scholar 

  30. Kirkpatrick, S., Gerlatt Jr, C.D. and Vechi, M.P. (1983), Science, 220, 671.

    Article  CAS  Google Scholar 

  31. Todorov, N.P. et al. (1998), J. Comput. Aided Mol. Des., 12, 335.

    Article  CAS  Google Scholar 

  32. Pardolos, P. et al. (1990), Supercomputer, 7, 23.

    Google Scholar 

  33. Metropolis, N., Rosenbluth, A., Rosenbluth, M., Teller, A. and Teller, E. (1953), J. Chem.Phys,21, 1087.

    Article  CAS  Google Scholar 

  34. Zheng, W.F. et. al., (1999), J. Chem. Inf. Comput. Scie., 39, 738.

    Article  CAS  Google Scholar 

  35. Cardoso, M.F. et al. (1994), Ind. Eng. Chem. Res., 33, 1908.

    Article  CAS  Google Scholar 

  36. Yip, P.P.C. et al. (1995), IEEE Trans. Neural Networks, 6, 290.

    Article  CAS  Google Scholar 

  37. Hasmann, U.H.E. (1997), Chem. Phys. Lett. 281, 140.

    Article  Google Scholar 

  38. Glover, F. (1986), Comp. Oper. Res., 5, 533.

    Article  Google Scholar 

  39. Hou, T.J. et al. (1999), Protein Eng., 12, 639.

    Article  CAS  Google Scholar 

  40. Holland, J.H. (1975) “Adaptation in natural and artificial system, Ann Arbor, The University of Michigan Press”.

    Google Scholar 

  41. Chambers, L. (1995) “Practical Handbook of genetic algorithms”.

    Google Scholar 

  42. Man, K.F. et al. (1999) “Genetic Algorithms”, Springer, London.

    Book  Google Scholar 

  43. Davis, L. (1991) “Handbook of Genetic Algorithms”, Van Nostrand Reinhold, New York.

    Google Scholar 

  44. Maxwell, I. E., Stork, W. H. J. (1999) In: Van Bekkum H., Flanigen E. E., Jasen J. C. (Eds), Introduction to Zeolite Science and Practice, 2nd edition, Elsevier, Amsterdam.

    Google Scholar 

  45. Fernandez, P. D., Schmidt, R. J., Johnson, B. H. and Rice, L.H. (1988) NPRA, Annual Meeting, San Antonio, TX, March 20-22, paper AM-88-45.

    Google Scholar 

  46. Weisz, P. B. (1962), Adv. Catal, 13, 137.

    Article  CAS  Google Scholar 

  47. Guisnet, M., Alvarez, F., Gianetto, G., Perot, G. (1987) Catal. Today, 1, 415.

    Article  CAS  Google Scholar 

  48. Ribeiro, F., Marcilly, Ch., Guisnet, M. (1982) J. Catal. 78, 275.

    Article  CAS  Google Scholar 

  49. Bloch, H. S., Haensel, V. US Patent 2,999,074.

    Google Scholar 

  50. G. Bour, C. P. Schwoerer, and Asselin, G. F. (1970) Oil&Gas J., 68

    Google Scholar 

  51. Ware, K. J. and Richardson, A. H. (1972) Hydrocarbon Processing, 51, 11.

    Google Scholar 

  52. Corma, A. and Martinez, (1998) A. E. G. Derouane et al (Eds). Catalytic Activation and Functionalisation of Light Alkanes, 35–74, Kluwer Academic Publisher. Printed in Netherlands.

    Google Scholar 

  53. Koradia, P. B., Kiouski, J. R., Asim, M. Y. (1980) J. Catal. 66, 290.

    Article  CAS  Google Scholar 

  54. Guisnet, M., Fouche, V., Bellonm, M., Bournonville, J. P. and Travers, C. (1991) Appl. Catal., 71, 283.

    Article  CAS  Google Scholar 

  55. Barthomeuf, D. (1987) Mater. Chem. Phys., 17, 49.

    Article  CAS  Google Scholar 

  56. Corma, A., Frontela, J. and Lázaro, J. (1991) US Patent 5,057,471.

    Google Scholar 

  57. Chica, A. and Corma, A. (1999) J. Catal. 187, 167–176.

    Article  CAS  Google Scholar 

  58. Fajula, F., Boulet, M., Coq, B., Rajaofanova, V., Figueras, F. and Des Courieres, T. (1992) 10th ICC, Budapest.

    Google Scholar 

  59. Len, L-J, Hon, L-Y, Chang-Kang, B., Li, Ch., Tzywu, S. and Wu, L-Ch (1991) Appl Catal., 69, 49.

    Article  Google Scholar 

  60. Hino, M. and Arata, K. (1979) Chem. Lett., 1259.

    Google Scholar 

  61. Hino, M. and Arata, K. (1979) J. Chem. Soc., Chem. Commun., 1148.

    Google Scholar 

  62. Hino, M. and Arata, K. (1980) J. Chem. Soc., Chem. Commun., 851.

    Google Scholar 

  63. Tanabe, K, Itoh, ML, Morishige, K. and Hattori, H. (1976) Preparation of Catalysts, Delmon B., Jacobs P. A. and Poncelet G., Eds; Eiservier; Amsterdam, p. 65.

    Google Scholar 

  64. Jin, T., Machida, M., Yamaguchi, T., Tanabe, K. (1984) Inorg. Chem., 23, 4396.

    Article  CAS  Google Scholar 

  65. Jin, T., Yamaguchi, T., Tanabe, K. (1986) J. Phys. Chem., 90, 4974.

    Article  Google Scholar 

  66. Yang, T-S, Chang, T-H and Yeh, C-T (1997) J. Mol. Catal. A Chem., 115, 339.

    Article  CAS  Google Scholar 

  67. Bazin, P., Saur, O., Lavalley, J. C., Blanchard, G., Visciglio, V. and Touret, O., Appl. Catal. B Envir., 13, 265 (1997).

    Article  CAS  Google Scholar 

  68. Srinivasan, R., Keogh, R. A,, Ghenciu, A., Farcasiu, D. and Davis, B. H. (1996) J. Catal., 158,502.

    Article  CAS  Google Scholar 

  69. Burnner, E. (1997) Catal. Today 38, 361.

    Article  Google Scholar 

  70. Hollstein, E. J., Wie, J. T. and Hsu, C-Y (1990) US Patent 4,918,041.

    Google Scholar 

  71. Hollstein, E. J., Wie, J. T. and Hsu, C-Y (1990) US Patent 4,956,519.

    Google Scholar 

  72. Lin, C-H and Hsu, C-Y (1992) J. Chem. Soc. Chem. Commun., 1497.

    Google Scholar 

  73. Hsu, C-Y, Heimbuch, C. R., Armes, C. T. and Gates, B. (1992) J. Chem. Soc. Chem. Commun., 1645.

    Google Scholar 

  74. Cheung, T-K, d’ltri, J. L. and Gates, B. (1995) J. Catal, 151, 464.

    Article  CAS  Google Scholar 

  75. Cheung, T-K, Lange, F. C. and Gates, B. (1996) J. Catal., 159, 99.

    Article  CAS  Google Scholar 

  76. Jatia, A., Chang, C., MacLeod, J. D., Okubo, T. and Davis, M. E. (1994) J. Catal., 152,21.

    Google Scholar 

  77. Wan, K. T., Khouw, C. B. and Davis M. E., (1996), J. Catal., 158, 311.

    Article  CAS  Google Scholar 

  78. Sikabwe, E. C. and White, R. L. (1997), Catal. Lett. 4, 177.

    Article  Google Scholar 

  79. Lonyi, F., Valyon, J., Engelhardt, J. and Mizukami, F. (1996), J. Catal., 160, 279.

    Article  CAS  Google Scholar 

  80. Mastikhin, V. M., Mudrakovsky, I. L. and Nosov, A. V. (1991), Prog. Nucl. Magn. Reson. Spectrosc. 23, 259.

    Article  CAS  Google Scholar 

  81. Kazansky, V. B. (1991), Acc. Chem. Res. 24, 379.

    Article  Google Scholar 

  82. Kazansky, V. B. (1994), Stud. Surf. Sci. Catal. 85, 251.

    Article  CAS  Google Scholar 

  83. Jacobs, W. P. J. H., de Haan, J. W., van de Ven, L. J. M. and van Santen, R. A. (1993), J. Phys. Chem., 97, 10394.

    Article  CAS  Google Scholar 

  84. Babou, F., Bigot, B. and Sautet, P. (1993), J. Phys. Chem. 97, 11501.

    Article  CAS  Google Scholar 

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Corma, A., Serra, J., Chica, A. (2002). Application Of Genetic Algorithms To The Development And Optimisation Of Light Paraffin Isomerisation Catalysts. In: Derouane, E.G., Parmon, V., Lemos, F., Ribeiro, F.R. (eds) Principles and Methods for Accelerated Catalyst Design and Testing. NATO Science Series, vol 69. Springer, Dordrecht. https://doi.org/10.1007/978-94-010-0554-8_8

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  • DOI: https://doi.org/10.1007/978-94-010-0554-8_8

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-1-4020-0721-7

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