DFT study of free gibbs energy activation of stages of conversion of piperylene to isoprene.

Authors

  • D. S. Mirgaleev Bashkir State University. Zaki Validi St., 32. Ufa, 450076. Russia
  • I. V. Vakulin Bashkir State University. Zaki Validi St., 32. Ufa, 450076. Russia
  • R. F. Talipov Bashkir State University. Zaki Validi St., 32. Ufa, 450076. Russia
  • G. R. Talipova Bashkir State University. Zaki Validi St., 32. Ufa, 450076. Russia
  • A. I. Vakulina Ural State University of Economics, Yekaterinburg, Russia

Abstract

The proposed scheme for the conversion of isoprene to piperylene can improve the efficiency of the process of obtaining isoprene by dehydrogenation of the C5 fraction.

Using DFT methods, we calculated the Gibbs energies of activation of various stages of the scheme under consideration.

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Issue

2018

Section

Organic Chemistry