Experimental and Theoretical Methods in Kinetic Studies of Heterogeneously Catalyzed Reactions

Supplementary Data

• Download Supplemental Material (PDF). Includes Supplemental Tables 1-3, and Supplemental Figures 1-2 (also reproduced below).

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  Supplemental Figure 1. Ethanol conversion (X), ethylene (S-C₂H₄) and diethyl ether (S-DEE) selectivity as a function of temperature at space time W_cat/F_EtOH,0 = 6.5 kg smol^-1 and P_EtOH,0 = 24 kPa over H-ZSM-5. Symbols: experimental data are indicated with their 95% confidence interval. Full lines: model simulations obtained using the ab initio calculated rate coefficients (see text)

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  Supplemental Figure 2. Simulated coverage of the most important surface intermediates, M1, D1 and DEE* as a function of temperature at space time W_cat/F_EtOH,0 = 6.5 kg smol^-1 and P_EtOH,0 = 24 kPa over H-ZSM-5. Full lines: model simulations obtained using the ab initio calculated rate coefficients (see text).