3.6 Verification of the reaction kinetics model
From Equations (11) and (13), the calculated values of the observed rate
constant expressed for can be obtained:
From Equations (7) and (11), the experimental values of can also be
obtained:
A
comparison of the calculated and experimental values of at different
temperatures and different sulfuric acid concentrations is provided in
Table S1. These two values are very close. Furthermore, the
effectiveness of the kinetic model in predicting the nitration of CB was
verified by a series of experiments, as shown in Figure 10 . The
mass fraction of sulfuric acid was changed to 93%, and the conversion
of CB was investigated at different temperatures. Under both the
conditions of a short residence time (low conversion) and a long
residence time (high conversion),
the experimental results of CB
conversion are in good agreement with the values predicted by the model,
indicating that even if the concentration of sulfuric acid changes, the
model can still predict the kinetic parameters for CB nitration.