A New Way of Probing Reaction Networks: Analyzing Multidimensional Parameter Space

d’Alnoncourt, Raoul Naumann; Kolen’ko, Yury V.; Schlögl, Robert; Trunschke, Annette

doi:10.2174/138620712798868392

Cited by 15 publications

(14 citation statements)

References 19 publications

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“…Errors can arise especially with combinatorial optimizations in advanced generations265a, 353 because the assumption that the catalytic effect is dependent only on the cation composition of the contact mass is incorrect. This does not diminish the value of high‐throughput procedures for, as an example, the efficient investigation of the kinetic parameter range of a system228a or for material development in a predetermined compositional space 211a. 354…”

Section: How Did Materials Science Arrive At Catalysis?mentioning

confidence: 99%

Heterogeneous Catalysis

2015

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Section: How Did Materials Science Arrive At Catalysis?mentioning

confidence: 99%

Heterogeneous Catalysis

2015

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“…Selective oxidation of propane was investigated by Naumann et al [12,50] leading to acrylic acid. An interesting peculiarity was found, i.e., a maximum in the selectivity of acrylic acid as a function of propane conversion.…”

Section: Mechanismsmentioning

confidence: 99%

“…The kinetic experiments were carried out in one reactor of a 10-fold parallel reactor unit, which has been presented in more detail before [50]. A gas chromatograph (7890A, Agilent, Santa Clara, California, United States) was used to perform online gas analysis.…”

Section: Reactor Set-up and Reaction Conditionsmentioning

confidence: 99%

Constructing A Rational Kinetic Model of the Selective Propane Oxidation Over A Mixed Metal Oxide Catalyst

et al. 2018

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This research presents a kinetic investigation of the selective oxidation of propane to acrylic acid over a MoVTeNb oxide (M1 phase) catalyst. The paper contains both an overview of the related literature, and original results with a focus on kinetic aspects. Two types of kinetic experiments were performed in a plug flow reactor, observing (i) steady-state conditions (partial pressure variations) and (ii) the catalyst evolution as a function of time-on-stream. For this, the catalyst was treated in reducing atmosphere, before re-oxidising it. These observations in long term behaviour were used to distinguish different catalytic routes, namely for the formation of propene, acetic acid, acrylic acid, carbon monoxide and carbon dioxide. A partial carbon balance was introduced, which is a 'kinetic fingerprint', that distinguishes one type of active site from another. Furthermore, an 'active site' was found to consist of one or more 'active centres'. A rational mechanism was developed based on the theory of graphs and includes two time scales belonging to (i) the catalytic cycle and (ii) the catalyst evolution. Several different types of active sites exist, at least as many, as kinetically independent product molecules are formed over a catalyst surface.

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“…The vast majority of data was measured in a 10-fold parallel reactor unit that has been described in detail before. [18] Gas analysis was performed by an online gas chromatograph (7890A, Agilent Propane is the main reactant, therefore conversion is always related to propane, if not stated otherwise. The conversion of propane was generally calculated from the difference of propane concentration in the effluents of the individual reactors and the blank reactor (Eq.…”

Section: Catalytic Experimentsmentioning

confidence: 99%

“…The corresponding reaction mechanism has been addressed in a number of kinetic studies. [3,7,8,11,12,17,18] However, the shortcoming of some of these investigations consist in the ill-defined nature of the studied catalysts, which are often composed of a mixture of various crystalline and amorphous phases characterized by different chemical composition, surface termination, and, consequently, different active sites that may be responsible for additional consecutive and side reactions. [12,19] Occasionally, it has been reported that the catalysts suffer from deactivation phenomena, [11] but, in most of the cases, no statements regarding catalyst stability have been made.…”

Section: Introductionmentioning

confidence: 99%

The reaction network in propane oxidation over phase-pure MoVTeNb M1 oxide catalysts

d’Alnoncourt¹,

Csepei²,

Hävecker³

et al. 2014

Journal of Catalysis

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MoVTeNb oxide catalysts exclusively composed of the M1 phase (ICSD no. 55097) have been studied in the direct oxidation of propane to acrylic acid applying a broad range of reaction conditions with respect to temperature (623-633-643-653-663 Highlights• Phase purity and homogeneity ensure high stability of MoVTeNbO x in C 3 H 8 oxidation• The catalyst bears a self-supported active layer in sub-nanometer dimension• Higher O 2 content in the feed increases the activity without loss of selectivity• Oxygen partial pressure affects surface oxidation state and number of active sites• Auxiliary steam changes performance by modifying the nature of the active sites 5

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A New Way of Probing Reaction Networks: Analyzing Multidimensional Parameter Space

Cited by 15 publications

References 19 publications

Heterogeneous Catalysis

Heterogeneous Catalysis

Constructing A Rational Kinetic Model of the Selective Propane Oxidation Over A Mixed Metal Oxide Catalyst

The reaction network in propane oxidation over phase-pure MoVTeNb M1 oxide catalysts

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