Experimental Reverse Water-Gas Shift (rWGS) Reaction Dataset from a Fixed-Bed Reactor
Description
This file contains processed Reverse Water-Gas shift reactor data, including inlet ratios, GHSV, set temperatures, measured outlet temperatures, calibrated gas compositions (H₂, CH₄, CO, CO₂), associated measurement uncertainties, CO₂ conversion, and CO selectivity for each experimental condition.
Files
Steps to reproduce
The dataset was generated in a laboratory fixed-bed reactor system designed for reverse water–gas shift (rWGS) experiments. A stainless-steel tubular reactor with heating zones was used to achieve stable operating conditions. Gas flow was supplied using calibrated mass flow controllers for CO₂, H₂ and inert gases. The reactor bed outlet temperature was monitored using a Type-K thermocouple positioned at the end of the catalyst bed. Product gas composition is measured exclusively at the reactor outlet and can therefore only be assigned to the outlet temperature. Using the outlet temperature also enables direct comparison with thermodynamic equilibrium under steady-state conditions. Gas-phase product concentrations were measured using a non-dispersive infrared (NDIR) gas analyzer, providing raw signals for H₂, CH₄, CO and CO₂. Prior to the experimental campaign, multipoint calibration was performed with certified reference gas mixtures. All signals were logged using a digital data acquisition system (LabView) at a constant sampling interval. The experimental DoE consisted of setting a defined inlet H₂/CO₂ ratio, gas hourly space velocity (GHSV) and temperature setpoint, followed by stabilization until steady-state conditions were reached (approx 5 min). Raw gas analyzer signals were then corrected using calibration functions, converted to molar fractions and normalized to dry gas. CO₂ conversion and CO selectivity were calculated based on inlet and outlet compositions. Data processing was performed in MATLAB and Python, including time alignment, calibration, uncertainty propagation and export into the structured data.csv file. Measurement uncertainties reflect analyzer drift and manufacturer specifications. The definition of stabilization until steady state conditions, raw analyzer signals, uncertainty calculations, normalization to dry gas and conversion/selevtivity calculations are in detail described in: Komatz, E. Development of automated software for analysis and simulation of the reverse water gas shift reaction (Master’s Thesis), https://doi.org/10.34901/mul.pub.2025.108, 2025. Units corresponding the head of colums are following: H2toCO2: [-] GHSH: [h^-1] pset: [bara] Tout: [°C] Tset: [°C] GA_H2_corrected, GA_CH4_corrected, GA_CO_corrected, GA_CO2_corrected, u_GA_H2, u_GA_CH4, u_GA_CO, u_GA_CO2: [Mole.-%, dry] XCO2, SCO: [%]
Institutions
- Montanuniversitat Leoben