Chemical Engineering Science, Vol.192, 46-60, 2018
Pulse response analysis using the Y-procedure: A data science approach
Pulse response experiments can provide a wealth of data for transient kinetic studies of gas phase heterogeneous reactions, with the ability to paint a detailed picture of intrinsic reaction kinetics pertaining to complex catalytic mechanisms. A novel framework called the Y-Procedure was developed by Yablonsky et al. to extract information from non-steady-state kinetic data (Yablonsky et al., 2007). The Y-Procedure reconstructs the chemical transformation rate and gas composition in the catalytic zone with no a priori assumptions on the kinetic model and is used to relate changes in catalytic reaction rates and kinetic parameters to changes in a catalyst's surface composition. This paper provides a detailed description of the data science work flow implemented in the Y-procedure through an experimental example of oxygen adsorption on platinum. This powerful method, along with a robust list of pre-processing methodology, will enable deeper understanding of kinetic processes and mechanism to be derived from the TAP pulse response technique. (C) 2018 Elsevier Ltd. All rights reserved.