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<p></p><p>We propose a two-temperature probe-reaction “fingerprint” for supported metal nanoparticles catalysts using 6-chloro-3-nitropyridine as substrate. Its reactivity with hydrogen branches between hydrodechlorination, nitro/ring reduction, and deep hydrogenation. GC-MS readouts are expressed as a 12-label set (unreacted, products); centered log-ratio (CLR) profiles at 25 and 50°C are differenced to give a temperature-response vector (ΔCLR). Applied to eight commercial 5 wt % Pd/C catalysts (BASF and Evonik toolkits; H<sub>2</sub> 30 bar, THF), ΔCLR separates samples by which reaction branch becomes more discriminating upon raising temperature from 25 to 50°C – dechlorination-leaning <i>vs</i> deep hydrogenation-leaning – beyond simple increases in conversion. For quick screening we report conversion, conversion + Cl-free products total, and conversion + selected deep hydrogenation products. Texture/morphology descriptors (<i>S</i><sub>BET</sub>, <i>V</i><sub>mic</sub>, <i>V</i><sub>meso</sub>; Median, CV, TailRatio, area fractions) provide orthogonal quality control, but do not by themselves reproduce ΔCLR groupings. Retention-time labels and inlet-mitigation measures support portability. The workflow enables lot identity checks and early catalyst selection.</p>

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Evaluation of the hydrogenation catalysts performance by analysis of the probe reaction products distribution

  • 期刊论文

  • 发表日期：

    2026年5月13日

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  • Mykyta O. Ivanytsya,
  • Alina O. Gorlova,
  • Oleksiy V. Shvets,
  • Oleksiy V. Khavryuchenko,
  • Serhiy V. Ryabukhin,
  • Dmytro M. Volochnyuk,
  • Sergey V. Kolotilov

摘要

We propose a two-temperature probe-reaction “fingerprint” for supported metal nanoparticles catalysts using 6-chloro-3-nitropyridine as substrate. Its reactivity with hydrogen branches between hydrodechlorination, nitro/ring reduction, and deep hydrogenation. GC-MS readouts are expressed as a 12-label set (unreacted, products); centered log-ratio (CLR) profiles at 25 and 50°C are differenced to give a temperature-response vector (ΔCLR). Applied to eight commercial 5 wt % Pd/C catalysts (BASF and Evonik toolkits; H2 30 bar, THF), ΔCLR separates samples by which reaction branch becomes more discriminating upon raising temperature from 25 to 50°C – dechlorination-leaning vs deep hydrogenation-leaning – beyond simple increases in conversion. For quick screening we report conversion, conversion + Cl-free products total, and conversion + selected deep hydrogenation products. Texture/morphology descriptors (SBET, Vmic, Vmeso; Median, CV, TailRatio, area fractions) provide orthogonal quality control, but do not by themselves reproduce ΔCLR groupings. Retention-time labels and inlet-mitigation measures support portability. The workflow enables lot identity checks and early catalyst selection.