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• W2073108775 abstract "A detailed chemical mechanism to describe reactions in the H2-S2-H2S system has been constructed.The mechanism comprises 21 reactions among the species H2S, S2, H2, HSSH, HSS, SH, S, and H. The structure of the mechanism resembles closely that of the H2-O2 system. For a few reactions, experimental values for rate constants were taken from the literature, but the kinetics of most of the reactions have been studied theoretically, using a combination of transition state theory for bimolecular reactions, master equation calculations for unimolecular decompositions, and QRRK methods for chemically activated reactions. The mechanism has been validated against a diverse collection of published data for H2S thermolysis in a static cell or in flow reactors, for temperatures ranging from 873 to 1423 K, pressures from 0.04 to 3 bar, and H2S mole fraction from 0.02 to 1. The predictions of the mechanism are sensitive only to the rates of the processes responsible for S-S bond formation,HSS+H⇌2SH(R8)HSSH(+M)⇌2SH(+M)(R9)HSSH+H⇌H2S+SH(R16) Slight adjustment of these rates allows the data to be modeled accurately. Data for the reverse, hydrogen sulfidation reaction (H2+S2) are also modeled very accurately. This comprehensive chemical kinetic mechanism for the H/S system not only describes a wide range of experimental data but also provides the basis for the construction of accurate models for H2S oxidation in combustion and related systems." @default.
• W2073108775 created "2016-06-24" @default.
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• W2073108775 date "2002-01-01" @default.
• W2073108775 modified "2023-09-27" @default.
• W2073108775 title "Chemical kinetic modeling of the H/S system: H2S thermolysis and H2 sulfidation" @default.
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• W2073108775 doi "https://doi.org/10.1016/s1540-7489(02)80297-8" @default.
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