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Using Fuzzy Knowledge Base to Evaluate a Classical Potential Barrier of Liquid Phase Reactions of Tert-Butyloxyl Radicals with Hydrocarbons

  • Vladimir E. TumanovEmail author
  • Elena S. Amosova
  • Andrei I. Prokhorov
Conference paper
Part of the Advances in Intelligent Systems and Computing book series (AISC, volume 521)

Abstract

A classical potential barrier of liquid phase reactions of tert-Butyloxyl radical with hydrocarbons has been approximated using fuzzy knowledge base built from the experimental sample. The predicted values of the classical potential barrier have been compared with the experimental values on the testing sample. Experimental and calculated values are in good agreement within the error. Weak dependence of activation energy of such reactions on the solvent type is discovered. A feedforward artificial neural network has been developed to approximate the classical potential barrier of studied reactions and the obtained results have been compared with the results obtained from the fuzzy knowledge base. Using fuzzy knowledge base produces more precise prediction of the classical potential barrier of given reactions.

Keywords

Knowledge discovery Fuzzy knowledge base Feedforward artificial neural network Radical abstraction reaction 

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Copyright information

© Springer International Publishing AG 2017

Authors and Affiliations

  • Vladimir E. Tumanov
    • 1
    Email author
  • Elena S. Amosova
    • 1
  • Andrei I. Prokhorov
    • 1
  1. 1.Department of Computing and Information ResourcesInstitute of Problems of Chemical Physics RASMoscowRussian Federation

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