Kinetics of solid acid catalyzed toluene nitration using the incremental identification method

• Published in: Reaction kinetics, mechanisms and catalysis Vol. 114; no. 1; pp. 251 - 263
• Main Authors: Gayatri, D. V., Sreedhar, I.
• Format: Journal Article
• Language: English
• Published: Dordrecht Springer Netherlands 01.02.2015
• Subjects: Catalysis; Chemistry; Chemistry and Materials Science; Error analysis; Estimates; Industrial Chemistry/Chemical Engineering; Mass transfer; Mathematical models; Nitration; Physical Chemistry; Reaction kinetics; Toluene; Zeolites; Incremental identification method; Multiphase kinetics; Nitration; Kinetic model; Zeolite toluene
• ISSN: 1878-5190; 1878-5204
• DOI: 10.1007/s11144-014-0784-1

In the present study, a novel technique of incremental identification has been employed to estimate the kinetic parameters for the title reaction. Initially, its performance has been validated with the reported data on mixed acid toluene nitration conducted in batch mode by comparing the kinetic parameters reported and those estimated by this methodology. After the necessary validation, this incremental method has been employed for the zeolite catalyzed toluene nitration conducted in semi batch mode under reflux conditions to estimate the rate due to the reaction as 0.1056 mol/m 3  s and that due to mass transfer as 3.1827 × 10 −5  mol/m 3  s. These values are found to be in agreement with the reported values. Various kinetic models have also been tested for the best fit of the experimental data and the best model has been found to be Langmuir–Hinshelwood, which has given the lowest error in the regression analysis. The controlling regime of reaction control that was identified by this study has also been further validated using empirical estimates like the Hatta number.