Extension to multiple temperatures of a three-reaction global kinetic model for methane dehydroaromatization

Document Type

Article

Publication Date

2-23-2018

Abstract

An alternative to flaring of surplus natural gas is methane dehydroaromatization (MDA) to benzene (C6H6) over a bifunctional molybdenum/zeolite catalyst. Byproducts include H2, C2H4, and naphthalene (C10H8). While an MDA detailed elementary reaction mechanism is now available, a simpler global kinetic model is more useful for engineering and screening calculations. A literature three-step reaction model exists but with rate constants only at 950 K. In the current work, Arrhenius parameters for the three global reactions have been determined over 948–1023 K based on a regression of major gas species concentration data generated from Chemkin® simulations of a packed bed reactor running the detailed MDA mechanism. In addition, the three-step model is used to illustrate the need to remove H2, perhaps through a membranous reactor wall, in order to overcome strong equilibrium CH4 conversion limitations. Such H2 removal, though, improves C10H8 selectivity at the expense of C6H6.

Identifier

85035072744 (Scopus)

Publication Title

Chemical Engineering Science

External Full Text Location

https://doi.org/10.1016/j.ces.2017.11.001

ISSN

00092509

First Page

132

Last Page

138

Volume

177

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