Fig. 4: Theoretical and experimental evaluation for the effect of acid sites on CH4 + O3 reaction.
From: Designing main-group catalysts for low-temperature methane combustion by ozone
a Employed periodic model of the ß zeolite. b Structure of the adsorption of C5H5N on BAS of ß zeolite. c TS calculations of the CH4 + O3 reaction on BAS of the ß zeolite. ΔE is reported in the kJ/mol unit. Ea is shown in dark red. d Plot of Ea of the CH4 + O3 reaction as a function of the C5H5N-stabilization energy (Epyr) of the acids. e CH4 consumption rate of the samples in 0.1% CH4 + 0.7% O3 at 250 °C (He balance, total flow: 100 ml/min) as a function of Epyr.
