In situ spatiotemporal characterization and analysis of chemical reactions using an ATR-integrated microfluidic reactor

K. Srivastava; N. D. Boyle; G. T. Flaman; B. Ramaswami; A. van den Berg; W. van der Stam; I. J. Burgess; M. Odijk

doi:10.1039/d3lc00521f

In situ spatiotemporal characterization and analysis of chemical reactions using an ATR-integrated microfluidic reactor

K. Srivastava
, N. D. Boyle
, G. T. Flaman
, B. Ramaswami
, A. van den Berg
, W. van der Stam
, I. J. Burgess^*
, M. Odijk^*

^*Corresponding author for this work

Sub Inorganic Chemistry and Catalysis

University of Twente
University of Saskatchewan
Max Planck Insitute, Nijmegen

Research output: Contribution to journal › Article › Academic › peer-review

Abstract

Determining kinetic reaction parameters with great detail has been of utmost importance in the field of chemical reaction engineering. However, commonly used experimental and computational methods however are unable to provide sufficiently resolved spatiotemporal information that can aid in the process of understanding these chemical reactions. With our work, we demonstrate the use of a custom designed single-bounce ATR-integrated microfluidic reactor to obtain spatiotemporal resolution for in situ monitoring of chemical reactions. Having a single-bounce ATR accessory allows us to individually address different sensing areas, thereby providing the ability to obtain spatially and temporally resolved information. To further enhance the spatial resolution, we utilize the benefits of synchrotron IR radiation with the smallest beam spot-size ∼150 μm. An on-flow modular microreactor additionally allows us to monitor the chemical reaction in situ, where the temporal characterization can be controlled with the operational flowrate. With a unique combination of experimental measurements and numerical simulations, we characterize and analyse a model S_N2 reaction. For a chemical reaction between benzyl bromide (BB) and sodium azide (SA) to produce benzyl azide (BA), we successfully show the capability of our device to determine the diffusion coefficients of BB and SA as 0.367 ± 0.115 10⁻⁹ m² s⁻¹ and 1.17 ± 0.723 10⁻⁹ m² s⁻¹, respectively. Finally, with the above characteristics of our device, we also calculate a reaction rate of k = 0.0005 (m³s⁻¹mol⁻¹) for the given chemical reaction.

Original language	English
Pages (from-to)	4690-4700
Number of pages	11
Journal	Lab on a Chip
Volume	23
Issue number	21
DOIs	https://doi.org/10.1039/d3lc00521f
Publication status	Published - 11 Oct 2023

Bibliographical note

Publisher Copyright:
© 2023 The Royal Society of Chemistry.

Funding

K. S. and N. D. B would like to thank the Netherlands Center for Multiscale Catalytic Energy Conversion (MCEC) for funding this project (Grant No. 801359). This work was also funded by Discovery Grants from the Natural Science and Engineering Research Council (NSERC) of Canada. G. T. F. acknowledges a Fellowship from the NSERC CREATE to INSPIRE. N. D. B and G. T. F. acknowledge funding from the NSERC CGS-M program. Research described in this paper was performed at the Canadian Light Source (CLS). The CLS is supported by the Canada Foundation for Innovation, Natural Sciences and Engineering Research Council of Canada, the University of Saskatchewan, the Government of Saskatchewan, the Western Economic Diversification Canada, the National Research Council Canada, and the Canadian Institutes of Health Research. K. S. and N. D. B would like to thank J. G. Bomer for his help in the cleanroom at Mesa Institute of Nanotechnology, University of Twente. + K. S. and N. D. B would like to thank the Netherlands Center for Multiscale Catalytic Energy Conversion (MCEC) for funding this project (Grant No. 801359). This work was also funded by Discovery Grants from the Natural Science and Engineering Research Council (NSERC) of Canada. G. T. F. acknowledges a Fellowship from the NSERC CREATE to INSPIRE. N. D. B and G. T. F. acknowledge funding from the NSERC CGS-M program. Research described in this paper was performed at the Canadian Light Source (CLS). The CLS is supported by the Canada Foundation for Innovation, Natural Sciences and Engineering Research Council of Canada, the University of Saskatchewan, the Government of Saskatchewan, the Western Economic Diversification Canada, the National Research Council Canada, and the Canadian Institutes of Health Research. K. S. and N. D. B would like to thank J. G. Bomer for his help in the cleanroom at Mesa+ Institute of Nanotechnology, University of Twente.

Funders	Funder number
MCEC	801359
Netherlands Center for Multiscale Catalytic Energy Conversion
Canadian Light Source Incorperated
University of Saskatchewan
Government of Saskatchewan
Canadian Institutes of Health Research
Natural Sciences and Engineering Research Council of Canada
Western Economic Diversification Canada
National Research Council of Canada
Canada Foundation for Innovation
University of Twente

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d3lc00521fFinal published version, 1.5 MBLicence: CC BY

Cite this

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title = "In situ spatiotemporal characterization and analysis of chemical reactions using an ATR-integrated microfluidic reactor",

abstract = "Determining kinetic reaction parameters with great detail has been of utmost importance in the field of chemical reaction engineering. However, commonly used experimental and computational methods however are unable to provide sufficiently resolved spatiotemporal information that can aid in the process of understanding these chemical reactions. With our work, we demonstrate the use of a custom designed single-bounce ATR-integrated microfluidic reactor to obtain spatiotemporal resolution for in situ monitoring of chemical reactions. Having a single-bounce ATR accessory allows us to individually address different sensing areas, thereby providing the ability to obtain spatially and temporally resolved information. To further enhance the spatial resolution, we utilize the benefits of synchrotron IR radiation with the smallest beam spot-size ∼150 μm. An on-flow modular microreactor additionally allows us to monitor the chemical reaction in situ, where the temporal characterization can be controlled with the operational flowrate. With a unique combination of experimental measurements and numerical simulations, we characterize and analyse a model SN2 reaction. For a chemical reaction between benzyl bromide (BB) and sodium azide (SA) to produce benzyl azide (BA), we successfully show the capability of our device to determine the diffusion coefficients of BB and SA as 0.367 ± 0.115 10−9 m2 s−1 and 1.17 ± 0.723 10−9 m2 s−1, respectively. Finally, with the above characteristics of our device, we also calculate a reaction rate of k = 0.0005 (m3s−1mol−1) for the given chemical reaction.",

author = "K. Srivastava and Boyle, \{N. D.\} and Flaman, \{G. T.\} and B. Ramaswami and \{van den Berg\}, A. and \{van der Stam\}, W. and Burgess, \{I. J.\} and M. Odijk",

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AU - Ramaswami, B.

AU - van den Berg, A.

AU - van der Stam, W.

AU - Burgess, I. J.

AU - Odijk, M.

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In situ spatiotemporal characterization and analysis of chemical reactions using an ATR-integrated microfluidic reactor

Abstract

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