Investigation of the Use of an Artificial Neural Network Method for the Prediction of Crystal Structures of Zeolites from XRD Data

Melkon Tatlier, H. Kerem Cigizoglu

Abstract

The possibility of using artificial neural network methods for the prediction of zeolite crystal structures, such as pore size and unit cell dimensions, from X-ray diffraction patterns was investigated. The Generalized Regression Neural Network method and X-ray diffraction data obtained from literature were utilized in these investigations. The predictions made by using this neural network method were, in general, more reliable than those performed by regression. The best predictions were achieved for the estimation of the pore size, while the neural network method improved significantly the very poor results obtained by regression for the unit cell dimensions.

References

  1. Weitkamp, J.: Zeolites and Catalysis. Solid State Ionics 131 (2000) 175-188.
  2. Caro, J., Noack, M., Kolsch, P., Schafer, R.: Zeolite Membranes-State of Their Development and Perspective. Microporous Mesoporous Mater. 38 (2000) 3-24.
  3. Ruthven, D.M.: Zeolites as Selective Adsorbents. Chem. Eng. Progr. 84 (1988) 42-50.
  4. Hussain, M.A.: Review of the Applications of Neural Networks in Chemical Process Control- Simulation and Online Implementation. Artif. Int. Eng. 13 (1999) 55-68.
  5. Huang, K., Chen, F., Lu, D.: Artificial Neural Network-Aided Design of a Multicomponent Catalyst for Methane Oxidative Coupling. Appl. Catal. A 219 (2001) 61-68.
  6. Serra, J.M., Corma, A., Chica, A., Argente, E., Botti, V.: Can Artificial Neural Networks Help the Experimentation in Catalysis? Cat. Today. 81 (2003) 393-403.
  7. Chakraborty, M., Bhattacharya, C., Dutta, S.: Studies on the Applicability of Artificial Neural Network (ANN) in Emulsion Liquid Membranes. J. Membrane Sci. 220 (2003) 155- 164.
  8. Sharma, R., Singhal, D., Ghosh, R., Dwivedi, A.: Potential Applications of Artificial Neural Networks to Thermodynamics: Vapor-Liquid Equilibrium Predictions. Comp. Chem. Eng. 23 (1999) 385-390.
  9. Tatlier, M., Cigizoglu, H.K., Erdem-Senatalar, A.: Artificial Neural Network Methods for the Estimation of Zeolite Molar Compositions That Form from Different Reaction Mixtures. Comp. Chem. Eng. 30 (2005) 137-146.
  10. Tatlier, M., Cigizoglu, K.B, Cigizoglu, H.K., Erdem-Senatalar, A.: Low-Silica Zeolite Coatings Prepared by Using Predictions from an Artificial Neural Network Method. J. Porous Mater. 15 (2008) 389-395.
  11. Specht, D.F.: A General Regression Neural Network. IEEE Trans. Neural Networks 2 (1991) 568-576.
  12. Tsoukalas, L. H., Uhrig, R. E.: Fuzzy and Neural Approaches in Engineering. Wiley, New York (1997).
  13. Kim, B., Kim, S., Kim, K.: Modeling of Plasma Etching Using a Generalized Regression Neural Network. Vacuum 71 (2003) 497-503.
  14. Treacy, M.M.J., Higgins, J.B.: Collection of Simulated XRD Powder Patterns for Zeolites. Elsevier, Amsterdam (2001).
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Paper Citation


in Harvard Style

Tatlier M. and Cigizoglu H. (2009). Investigation of the Use of an Artificial Neural Network Method for the Prediction of Crystal Structures of Zeolites from XRD Data . In Proceedings of the 5th International Workshop on Artificial Neural Networks and Intelligent Information Processing - Volume 1: Workshop ANNIIP, (ICINCO 2009) ISBN 978-989-674-002-3, pages 97-105. DOI: 10.5220/0002263700970105


in Bibtex Style

@conference{workshop anniip09,
author={Melkon Tatlier and H. Kerem Cigizoglu},
title={Investigation of the Use of an Artificial Neural Network Method for the Prediction of Crystal Structures of Zeolites from XRD Data},
booktitle={Proceedings of the 5th International Workshop on Artificial Neural Networks and Intelligent Information Processing - Volume 1: Workshop ANNIIP, (ICINCO 2009)},
year={2009},
pages={97-105},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0002263700970105},
isbn={978-989-674-002-3},
}


in EndNote Style

TY - CONF
JO - Proceedings of the 5th International Workshop on Artificial Neural Networks and Intelligent Information Processing - Volume 1: Workshop ANNIIP, (ICINCO 2009)
TI - Investigation of the Use of an Artificial Neural Network Method for the Prediction of Crystal Structures of Zeolites from XRD Data
SN - 978-989-674-002-3
AU - Tatlier M.
AU - Cigizoglu H.
PY - 2009
SP - 97
EP - 105
DO - 10.5220/0002263700970105