Non-oxidative methane conversion by Fe single site catalysts: quantifying temperature limitations imposed by gas-phase pyrolysis

Abstract

A combined heterogeneous and homogeneous model of methane conversion reveals the temperature limitations of methane to olefins, aromatics, and hydrogen (MTOAH).

Automatic mechanism generation involving kinetics of surface reactions with bidentate adsorbates

“…Polycyclic aromatic hydrocarbons such as naphthalene (C 10 H 8 ) or acenaphthylene (C 12 H 8 ) are oen reported as gas-phase precursors for coke formation. 58,59 This study serves as a blueprint, outlining the steps necessary to extend RMG towards these larger (cyclic) multidentate species or to add other functionalities. Furthermore, we are currently working on including coverage dependence on energetic parameters and multiple surface sites in the generation procedure to achieve a more realistic description of the multifaceted catalyst under working conditions.…”

Synthesis of Acetylene and Benzene in Controlled Methane-Plasma System

“…Methane dehydroaromatization is also advantageous in effective utilization of natural gas by producing important aromatics such as benzene and toluene [63][64][65][66]. Direct conversion of methane to aromatics in the absence of oxygen was thermodynamically unfavorable at temperatures lower than 500°C and the equilibrium methane conversion was only about 12% at 700°C [67][68][69][70]. Microwaveenhanced plasma can be beneficial in improving selectivity and conversion in methane dehydroaromatization.…”