Software Module of Mathematical Chemistry Web-Laboratory for Studying the Kinetics of Oxidation of 4-tert-Butyl-phenol by Aqueous Solution of H<sub>2</sub>O<sub>2</sub> in the Presence of Titanosilicates

Authors

  • Irek Gubaydullin Russian Academy of Science
  • Leniza Enikeeva Russian Academy of Science
  • Lakavath Rammurthy Naik Indian Institute of Technology Kanpur

DOI:

https://doi.org/10.4186/ej.2016.20.5.263

Keywords:

Java, software engineering for internet projects, numerical algorithms, global optimization, ordinary differential equations.

Abstract

Selective oxidation of phenols is of great interest in terms of practically valuable hydroquinone and pyrocatechin. The purpose of this paper is to investigate the kinetics of the oxidation reaction of 4-tert-butylphenol by an aqueous solution of hydrogen peroxide using titanosilicates and a Macrokinetic model of experimental data was obtained. To minimize the relative error in the population at different temperature we use Genetic Algorithm and simulated Annealing methods to solve the resulting optimization problems. To perform the experimental calculation a separate software module the Web-laboratory of mathematical chemistry was developed. A Sub module "The inverse problem" for the solving the inverse kinetic problem with the use of Java-interface for Octave was designed.

Downloads

Download data is not yet available.

Author Biographies

Irek Gubaydullin
Google Scholar

Institute of Petrochemistry and Catalysis, Russian Academy of Science, Russia

Leniza Enikeeva
Google Scholar

Institute of Petrochemistry and Catalysis, Russian Academy of Science, Russia

Lakavath Rammurthy Naik
Google Scholar

Department of Mathematics and Statistics Indian Institute of Technology Kanpur, Uttar Pradesh, India

Downloads

Published In
Vol 20 No 5, Nov 25, 2016
How to Cite
[1]
I. Gubaydullin, L. Enikeeva, and L. R. Naik, “Software Module of Mathematical Chemistry Web-Laboratory for Studying the Kinetics of Oxidation of 4-tert-Butyl-phenol by Aqueous Solution of H<sub>2</sub>O<sub>2</sub> in the Presence of Titanosilicates”, Eng. J., vol. 20, no. 5, pp. 263-270, Nov. 2016.
Cited By
Find in Google Scholar

Authors who publish with Engineering Journal agree to transfer all copyright rights in and to the above work to the Engineering Journal (EJ)'s Editorial Board so that EJ's Editorial Board shall have the right to publish the work for nonprofit use in any media or form. In return, authors retain: (1) all proprietary rights other than copyright; (2) re-use of all or part of the above paper in their other work; (3) right to reproduce or authorize others to reproduce the above paper for authors' personal use or for company use if the source and EJ's copyright notice is indicated, and if the reproduction is not made for the purpose of sale.