Новосибирский институт органической химии им. Н.Н. Ворожцова СО РАН
Лаборатория изучения механизмов органических реакций
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Kinetics program
SciLab program for bromination of 1,3,5-tri-tert-butylbenzene kinetics.The built-in functions were used: ode (automatically selecting between nonstiff predictor-corrector Adams method and stiff Backward Differentiation Formula method) for the solution of the kinetic equations, lsqrsolve (Levenberg-Marquardt nonlinear least squares fitting) for quantitative evaluation of the rate constants, and lsq_splin (least squares cubic spline fitting) for interpolation of HBr concentrations.
To adopt the program for other kinetic system we need to modify next lines:
4-11 (experimental data)
13-14 (reagents names and initial concentrations)
18-23 (external reagent, if any)
25-33 (optimized parameters)
43-48 (errors handling)
96-110 (kinetic matrix)
Download program
Download input data example