Modelling the kinetics of a reaction involving a sodium salt of 1,2,4-triazole and a complex substituted aliphatic halide

A1 Journal article (refereed)

Internal Authors/Editors

Publication Details

List of Authors: H. Grénman, T. Salmi, P. Mäki-Arvela, J. Wärnå, K. Eränen, E. Tirronen, A. Pehkonen
Publisher: American Chemical Society
Publication year: 2003
Journal: Organic Process Research and Development
Journal acronym: Org. Process Res. Dev.
Volume number: 7
Issue number: 6
Start page: 942
End page: 950
Number of pages: 9
ISSN: 1083-6160
eISSN: 1520-586X


A spontaneous reaction involving a sparingly soluble solid compound 1,2,4-triazole as sodium salt and a complex substituted aliphatic halide was studied. Kinetic experiments were performed in the temperature interval 120-170 degreesC. A part of the study was focused on the solubility of different compounds and the impact of triazole concentration on the reaction. On the basis of the experimental data, a mathematical model was developed, and the parameters in the model were estimated by nonlinear regression. On the basis of the consistency of the data, rather accurate values for the parameters were calculated from the experimental values and compared to the estimated ones. The model can be used as a helpful tool in developing industrial applications.

Last updated on 2020-11-08 at 06:45