No abstract

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.

The experimental data for hydrogenation of sulfur compounds including benzothiophenes (BT) and dibenzothiophenes (DBT) in the diesel fuel with 1.4 mass% of sulfur content is obtained using the laboratory setup with the aluminum-cobalt-molybdenum catalyst GKD-202 at the pressure of 3.5 MPa and different temperatures. The sulfur compound removal factor reaches 98 mass%. Dynamics of DBT and BT concentrations allowed designing a kinetic model represented by the system of differential equations of individual sulfur compound rates. The kinetic model was included in the developed software. The basis of the algorithm for reverse kinetic problem solution is the method of scanning through predefined range of constants. This enables performing the calculation with an error not exceeding 0.007%. The obtained data confirmed that chemical activity increases in the order: DBT, BT, sulfides. The rate of desulfurization decreases with increase in alkyl substituents concentrations. DBT desulfurization is much worse than the one of BT. The calculated data allowed building the graphs representing BT and DBT concentration dynamics

Abstract. Modelling of sulfur compounds kinetics was performed, including kinetics of benzothiophene and dibenzothiophene homologues. Modelling is based on experimental data obtained from monitoring of industrial hydrotreating set. Obtained results include kinetic parameters of reactions.