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Conversion calculations for ICCU-RWGS using FTIR gas analyser

FTIR was used for gas detection during ICCU-RWGS. The following information is obtained from (https://pubs.acs.org/doi/10.1021/acscatal.1c05339.) regarding the calculation of CO selectivity and CO2 conversion.

“The composition (CO, CH4, and CO2) of effluent gas was quantitatively analyzed using a FTIR spectroscopy (JASCO FT/IR-4600) combined with a gas cell. The background IR spectrum was taken before the CCR reaction N2 flow. The CO2 adsorption capacity (AdCO2), amount of generated CO and CH4 (denoted as qCO, qCH4 herein), selectivity for CO (SelCO), and conversion of the adsorbed CO2 (ConcadCO2) were determined as follows (eqs. S1-S5):”

s1

s2

“where FCO2 in and FCO2 out are the CO2 molar flow rate at the column inlet and outlet, respectively, FCO out and FCH4 out are CO and CH4 molar flow rate at the column outlet, respectively, 𝑚 is the catalyst mass, ta stands for the duration time during the adsorption stage, tH stands for the duration time during H2 reduction process. For determination of CO and CH4 molar flow rate, the peak area value around 2250−2001 cm-1 and 3031−2994 cm-1 were used, respectively, while the different peaks (2395−2235 cm-1 for ≤ 1% CO2 and 3760−3662 cm-1 for > 1% CO2) were used for CO2 depending of its concentration.”

 

 

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