Balanced Fast-SpaciMS capillary configurations provide practically noninvasive channel-average measurements in catalytic monoliths

Hlavatý, Tomáš; Kočí, Petr; Isoz, Martin; Deka, Dhruba; Partridge, Jr., William

doi:10.1016/j.ces.2023.119272

Title: Balanced Fast-SpaciMS capillary configurations provide practically noninvasive channel-average measurements in catalytic monoliths

Journal Article · Fri Sep 15 00:00:00 EDT 2023 · Chemical Engineering Science

DOI:https://doi.org/10.1016/j.ces.2023.119272· OSTI ID:2006933

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University of Chemistry and Technology, Prague (Czech Republic); Institute of Thermomechanics of the Czech Academy of Sciences, Prague (Czech Republic)
University of Chemistry and Technology, Prague (Czech Republic)
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Spatially resolved capillary-inlet mass spectrometry (SpaciMS) provides a detailed picture of the spatiotemporal evolution of reaction network in catalytic monoliths. In the present work, we combine the SpaciMS experiments with a newly developed non-isothermal 3D CFD model for heterogeneously catalyzed reactive flows, including diffusion and permeation through the coated catalyst and channel wall. We explore how the capillary size and sampling rate can be balanced to minimize the impact on probed-channel conversions and provide species concentration measurements representative of the free channel average. In all studied configurations, the balanced sampling-rate fraction is noticeably higher than the corresponding capillary occlusion fraction. For a typical 350-micron capillary that occupies 11% of the channel cross- section, the balanced sampling rate represents 43% of the channel flow. Furthermore, the present work shows that together, a balanced SpaciMS configuration and numerical simulation provide accurate channel-averaged information of a monolithic catalyst under realistic operation conditions.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 2006933

Journal Information:: Chemical Engineering Science, Vol. 282, Issue 9; ISSN 0009-2509

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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