Using programming support environment FreePascal and FreeBasic, the program providing to calculate values of efficient rate constants for hydrogenation reactions of benz-and dibenzothiophenes in the process of diesel fuel hydrofining, is developed. The basis of the developed algorithm of solving reverse kinetic problem is the method of optimization by scanning the permissible scan area, which let it possible to make calculations with inaccuracy not exceeding 0.007%. By using the developed program, is conducted the calculation of velocity constants and activation energy of transforming individual sulphur compounds on the basis of laboratory stand experimental data, obtained under different conditions. The program can be implemented in oil and gas industry.