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Pulse response analysis using the Y-procedure : a data science approach

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Abstract
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.
Keywords
TAP-REACTORS THEORY, LOCALLY WEIGHTED REGRESSION, TEMPORAL ANALYSIS, HETEROGENEOUS CATALYSIS, SCATTER-CORRECTION, PRODUCTS TAP, KINETICS, OXIDATION, MECHANISM, SYSTEM, TAP reactor, Y-procedure, Data science, Catalysis, Transient kinetics

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Chicago
Kunz, M. Ross, Tammie Borders, Evgeniy Redekop, Gregory S. Yablonsky, Denis Constales, Lucun Wang, and Rebecca Fushimi. 2018. “Pulse Response Analysis Using the Y-procedure : a Data Science Approach.” Chemical Engineering Science 192: 46–60.
APA
Kunz, M. R., Borders, T., Redekop, E., Yablonsky, G. S., Constales, D., Wang, L., & Fushimi, R. (2018). Pulse response analysis using the Y-procedure : a data science approach. CHEMICAL ENGINEERING SCIENCE, 192, 46–60.
Vancouver
1.
Kunz MR, Borders T, Redekop E, Yablonsky GS, Constales D, Wang L, et al. Pulse response analysis using the Y-procedure : a data science approach. CHEMICAL ENGINEERING SCIENCE. Oxford: Elsevier ; 2018;192:46–60.
MLA
Kunz, M. Ross et al. “Pulse Response Analysis Using the Y-procedure : a Data Science Approach.” CHEMICAL ENGINEERING SCIENCE 192 (2018): 46–60. Print.
@article{8610405,
  abstract     = {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.},
  author       = {Kunz, M. Ross and Borders, Tammie and Redekop, Evgeniy and Yablonsky, Gregory S. and Constales, Denis and Wang, Lucun and Fushimi, Rebecca},
  issn         = {0009-2509},
  journal      = {CHEMICAL ENGINEERING SCIENCE},
  language     = {eng},
  pages        = {46--60},
  publisher    = {Elsevier },
  title        = {Pulse response analysis using the Y-procedure : a data science approach},
  url          = {http://dx.doi.org/10.1016/j.ces.2018.06.078},
  volume       = {192},
  year         = {2018},
}

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