Analysis and Simplification of Kinetic Models for Methane Chlorination and Pyrolysis. Issue 5 (10th March 2022)

• Record Type: Journal Article
• Authors: Keuchel, Florian; Heinlein, Moritz; Hohlmann, Jan; Agar, David W.
• Other Names: Freund Hannsjörg guestEditor.; Sauer Jörg guestEditor.; Wachsen Olaf guestEditor.
• Is Part Of: Chemie Ingenieur Technik. Volume 94:Issue 5(2022)
• Page Start: 712
• Page End: 719
• Publication Date: 2022-03-10
• Subjects: Chlorination -- High temperature -- Kinetic mechanism -- Methane pyrolysis -- Simulation; Chemical engineering -- Patents -- Periodicals; Chemical engineering -- Periodicals; Chemical industry -- Periodicals; Chemistry, Technical -- Periodicals; 660.05
• DOI: 10.1002/cite.202100179
• Languages: English
• ISSNs: 0009-286X

Abstract

Abstract: So far, no complete reaction mechanism has been proposed for high temperature chlorination and pyrolysis of methane. Various mechanisms for the description of this reaction pathway are combined and compared in this paper. This adaptation shows that the gas phase pyrolysis of methane and methyl chloride can be combined with surface reactions via nucleation from the gas phase or on the reactor wall to reproduce the product spectrum. In addition, kinetic parameters for a global simplified one‐step mechanism focused on the formation of carbon are fitted to available experimental data. Abstract : For high temperature methane chlorination and pyrolysis, mechanisms of methane and methyl chloride pyrolysis are combined with carbon nucleation mechanisms to describe the reaction pathway. In addition, for a global one‐step mechanism, the kinetic parameters are fitted to experimental data.