Mastering the Challenges of Catalyst Screening in High‐Throughput Experimentation for Heterogeneously Catalyzed Gas‐Phase Reactions

Schunk, Stephan A.; Demuth, Dirk; Cross, A. D.; Gerlach, Olga; Haas, Alfred; Klein, Jens; Newsam, J. M.; Sundermann, Andreas; Stichert, Wolfram; Strehlau, W.; Vietze, U.; Zech, Torsten

doi:10.1002/3527604103.ch2

Cited by 11 publications

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“…All experiments were carried out at ambient pressure ( P = 1 bar), whereas temperature ( T ), gas hourly space velocity (GHSV), and amount of ethyl chloride (EC) promoter in the gas feed were varied (230–350 °C, 1000–2000 h –1 , 0–4.5 ppm, respectively). Gas product analysis was performed via gas chromatography (GC) and mass spectrometry (MS) in a manner analogous to the procedures published elsewhere. − All values given for conversion and selectivity were based on full carbon balances and augmented by the use of internal nonreactive standards (in this case methane and argon). Qualitative analysis and unambiguous identification of the components was ensured via mass-spectrometric analysis.…”

Section: Methodsmentioning

confidence: 99%

Anisotropic Reactivity of CaAg under Ethylene Epoxidation Conditions

et al. 2018

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The chemical behavior of CaAg as catalyst for ethylene epoxidation was studied using a combination of experimental (X-ray powder diffraction, scanning electron microscopy, thermal analysis and infrared spectroscopy), and quantum chemical techniques as well as real-space chemical bonding analysis. Under oxidative ethylene epoxidation conditions, the CaAg (010) surface possesses an outstanding stability during long-term experiments. It is caused by the formation of an ordered, stable and dense CaO passivation layer with a small amount of embedded Ag atoms. On this way, the (010) surface constitutes a kinetic barrier for further incorporation of oxygen into the subsurface region and thereby prevents further oxidative decomposition of CaAg. The calculated adsorption energies of the reaction species show strong adsorption of the reaction products that may explain the observed low conversion of ethylene toward ethylene oxide using CaAg as catalyst.

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Section: Methodsmentioning

confidence: 99%

Anisotropic Reactivity of CaAg under Ethylene Epoxidation Conditions

et al. 2018

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“…All experiments were performed at ambient pressure, whereas temperature (T), gas hourly space velocity (GHSV) and amount of ethyl chloride (EC) promoter in the gas feed were varied (230-350°C, 1000-2000 h -1 , 0-4.5 ppm, respectively). Gas chromatography (GC) and mass spectrometry (MS) were used for gas product analysis [41].…”

Section: Methodsmentioning

confidence: 99%

Ca–Ag compounds in ethylene epoxidation reaction

Antonyshyn

Sichevych

Ormeci

et al. 2019

Science and Technology of Advanced Materials

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The ethylene epoxidation is a challenging catalytic process, and development of active and selective catalyst requires profound understanding of its chemical behaviour under reaction conditions. The systematic study on intermetallic compounds in the Ca-Ag system under ethylene epoxidation conditions clearly shows that the character of the oxidation processes on the surface originates from the atomic interactions in the pristine compound. The Ag-rich compounds Ca 2 Ag 7 and CaAg 2 undergo oxidation towards fcc Ag and a complex Ca-based support, whereas equiatomic CaAg and the Ca-rich compounds Ca 5 Ag 3 and Ca 3 Ag in bulk remain stable under harsh ethylene epoxidation conditions. For the latter presence of water vapour in the gas stream leads to noticeable corrosion. Combining the experimental results with the chemical bonding analysis and first-principles calculations, the relationships among the chemical nature of the compounds, their reactivity and catalytic performance towards epoxidation of ethylene are investigated.

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“…We select here, somewhat arbitrarily, HTE studies published early in 2014, so immediately prior to this conference. HTE has been applied with some success to the discovery and development of both homogeneous and heterogeneous catalysts [4][5][6][7][8][9][10][11][12][13][14][15][16]. As several recent examples are also discussed elsewhere in this volume, we look here to examples from other fields.…”

Section: Recent Examples In Materials For Energy Applicationsmentioning

confidence: 99%

High Throughput Experimentation (HTE) Directed to the Discovery, Characterization and Evaluation of Materials

Newsam¹

2014

Oil Gas Sci. Technol. – Rev. IFP Energies nouvelles

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Cet article fait partie du dossier thématique ci-dessous publié dans la revue OGST, Vol. 70, n°2, et téléchargeable ici D o s s i e rOil & Gas Science and Technology -Rev. IFP Energies nouvelles, Vol. 70 (2015), No. 3, Copyright © 2015, IFP Energies nouvelles > Editorial -Towards the Laboratory of the Future for the Factory of the FutureÉditorial -Vers le laboratoire du futur pour construire l'usine du futur Abstract -We attempt to take a strategic view of the development and application of HTE techniques across a broad spectrum of chemical, material and earth sciences, looking for unifying assumptions and approaches. We consider why much of the development of HTE technologies and techniques, as well as the majority of their application, have taken place in industry or in institutes or centers working closely with industry. And we look for commonalities and synergies across diverse HTE application areas, taking examples from the energy, catalysis, formulations and biotechnology fields.

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Mastering the Challenges of Catalyst Screening in High‐Throughput Experimentation for Heterogeneously Catalyzed Gas‐Phase Reactions

Abstract: For Abstract see ChemInform Abstract in Full Text.

Cited by 11 publications

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Anisotropic Reactivity of CaAg under Ethylene Epoxidation Conditions

Anisotropic Reactivity of CaAg under Ethylene Epoxidation Conditions

Ca–Ag compounds in ethylene epoxidation reaction

High Throughput Experimentation (HTE) Directed to the Discovery, Characterization and Evaluation of Materials

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