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Combustion, Explosion and Shock Waves

2018 year, number 2

Numerical Analysis of Hydrogen Sulphide Conversion to Hydrogen During its Pyrolysis and Partial Oxidation

V. A. Savel'eva, A. M. Starik, N. S. Titova, O. N. Favorskii
Baranov Central Institute of Aviation Motors, Moscow, 111116 Russia
Keywords: получение водорода, сероводород, пиролиз, частичное окисление, кинетический механизм, моделирование, hydrogen obtaining, hydrogen sulphide, pyrolysis, partial oxidation, kinetic mechanism, simulation

Abstract

Obtaining of hydrogen during pyrolysis and partial oxidation of hydrogen sulphide is analyzed on the basis of a detailed kinetic model of H2S oxidation. It is shown that the H2 output in the case of H2S pyrolysis in adiabatic flow reactor with a residence time of ≈1 s. Even for the initial temperature of the mixture T0 = 1400 K, the molar fraction of H2 is only 12%, though the equilibrium value is reached within the reactor. At T0 <1200 K, there is no enough time for the chemical equilibrium inside the reactor to be established, and the H2 concentration is lower than the equilibrium value. At T0 <1000 K, there is practically no pyrolysis reaction in the reactor. Addition of a small amount of air to H2S leads to energy release, to an increase in temperature, and, as a consequence, to acceleration of H2S conversion. The normalized output of H2 can be increased by several times. For each value of T0, there exists an optimal value of the fuel-to-air equivalence ratio φ that ensures the maximum H2 output in the H2S-air mixture. The process of partial oxidation at high values of φ > φb and low values of T0 is essentially nonequilibrium; as a result, the H2 concentration at the exit from a finite-length reactor can be higher than its equilibrium value, e.g., by 30-40% at T0 = 800 K and φ = 6-10. The reasons responsible for reaching a “superequilibrium” concentration of H2 at the flow reactor exit are determined.