Acrolein and Methacrolein

Arntz, D.; Höpp, Mathias; Jacobi, Sylvia; Sauer, Jörg; Ohara, Takayoshi; Sato, Takuma; Shimizu, Noboru; Prescher, G.; Schwind, Helmut; Weiberg, Otto

doi:10.1002/14356007.a01_149

Cited by 8 publications

(6 citation statements)

References 46 publications

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“…In the second validation step, the applicability of the model for predicting an industrial plant should be examined. For this, we have simulated typical operating conditions of a multitubular fixed bed reactor considering a single tube. The validation includes the analysis of the following process conditions: Reactor length: 3 m Ratio of D / d : 4, 5, 6 (variation of particle diameter by a fixed tube diameter) Coolant temperature: 320 °C (constant along the reactor length) Inlet pressure: 2 bar Residence time: 2.5 s Inlet concentration of propylene: 7.5 mol % Molar ratio of O 2 /PP: 8 Molar ratio of H 2 O/PP: 4.3 …”

Section: Resultsmentioning

confidence: 99%

“…The parameters studied in the non-isothermal fixed bed experiments are listed in the following. The ranges investigated include process conditions typical for industrial practice . The given values are related to the settings of the central point, respectively, and thus describe dimensionless parameters.…”

Section: Experimental Sectionmentioning

confidence: 99%

“…This aspect motivates the continuous development and improvement of the catalyst system and the optimization of the reactor design to increase propylene conversion as well as acrolein selectivity. Since bismuth molybdate catalysts were introduced in 1957 by Sohio (today BP), the catalyst systems were further developed toward multicomponent metal oxide catalysts so that the today’s selectivity to acrolein is at a high level within 83–90% . However, the oxidation of propylene over bismuth molybdate catalysts comprises a variety of parallel and consecutive reactions resulting in a complex reaction network − which cannot be prevented by a further refinement of catalyst composition and structure.…”

Section: Introductionmentioning

confidence: 99%

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Kinetic Modeling of the Partial Oxidation of Propylene to Acrolein: A Systematic Procedure for Parameter Estimation Based on Non-isothermal Data

Ganzer

Freund

2019

Ind. Eng. Chem. Res.

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On the basis of non-isothermal experiments in an integral pilot-scale reactor, the heterogeneously catalyzed gas phase oxidation of propylene to acrolein was investigated at industrial relevant process conditions. From an extensive experimental data set both reaction scheme and reaction rates were derived. Beside the main components propylene, oxygen, acrolein, and water, the proposed reaction network includes a variety of side products. The reaction rates were modeled by a semi-mechanistical approach given by Mars and van Krevelen. On the basis of a two-dimensional, pseudohomogeneous reactor model, the kinetic parameters were estimated successfully by introducing a systematic procedure for a stepwise determination using different regions with different characteristics to estimate the pre-exponential factors and activation energies individually, i.e., separate from each other. The model is able to predict the data included in the parameter estimation and independent data measured at different process conditions as well. Furthermore, it provides reliable results for an industrial plant.

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Section: Resultsmentioning

confidence: 99%

Section: Experimental Sectionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Kinetic Modeling of the Partial Oxidation of Propylene to Acrolein: A Systematic Procedure for Parameter Estimation Based on Non-isothermal Data

Ganzer

Freund

2019

Ind. Eng. Chem. Res.

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“…Total oxidation is thermodynamically favored but undesired, as cheaper fuels with a higher energy density exist for power/heat generation. The technology for partial oxidation of propylene to C3 oxygenates (acrolein, propanal, 1-propanol, isopropanol, and acetone) is known and is performed on an industrial scale with sufficient selectivity. − …”

Section: Introductionmentioning

confidence: 99%

Propylene Epoxidation using Molecular Oxygen over Copper- and Silver-Based Catalysts: A Review

et al. 2020

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Propylene oxide (PO) is a versatile chemical, mainly used in the synthesis of polyurethane plastics. Propylene epoxidation using molecular oxygen could replace the tedious current synthesis protocols, which use expensive H 2 O 2 or organic peroxides as oxidants. This review focuses on the propylene epoxidation reaction using molecular oxygen in the gas phase over copper-and silver-based catalysts. Silver is a proven and industrially used ethylene epoxidation catalyst. However, it initiates allylic hydrogen stripping (AHS) in propylene epoxidation, shifting the selectivity toward unwanted acrolein and total oxidation. Nevertheless, silver has been extensively studied to determine if AHS could be mitigated by targeted active site design and various doping strategies. Copper-based catalysts have been less extensively studied but have been experimentally proved as well as theoretically confirmed that their PO selectivity is on par with that of silver. In this review, different catalyst modification strategies have been analyzed and the achieved improvements discussed. Theoretical approaches aimed at understanding the mechanism and predicting catalytic performance on the basis of electronic states (density functional theory calculations) are also reviewed. We conclude with a future outlook on how the current state of the art knowledge of active site modification and reaction engineering approaches could leverage the PO selectivity toward industrial requirements, thus enabling a breakthrough in gas-phase propylene epoxidation using O 2 .

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“…11,12 Due to the high toxicity, volatility, and the reactivity of intermediates, especially acrolein, the handling of intermediates is difficult, and further isolation is required. 13,14 For the purpose of eliminating these limitations, therefore, the development of integrated process using a bi-functional catalyst for the direct conversion of glycerol to acrylic acid is highly desirable.…”

Section: Introductionmentioning

confidence: 99%

Rational Design of a Bifunctional Catalyst for the Oxydehydration of Glycerol: A Combined Theoretical and Experimental Study

et al. 2014

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Due to its cost effectiveness and eco-friendliness, oxydehydration of glycerol is currently attracting considerable attentions. In an attempt to develop efficient catalyst for the reaction, tungsten incorporated molybdenum vanadium mixed oxide (MoVW) catalysts were designed based on computational calculations and mechanistic insights. By incorporating tungsten into molybdenum vanadium mixed oxide structure, the catalysts are active and selective not only for the dehydration of glycerol but also the subsequent oxidation of acrolein to acrylic acid. Through DFT calculations, we confirmed that tungsten species induced change in electron density of neighboring atoms, which leads to selective production of acrylic acid. Structural characterization demonstrates that the structure of such MoVW catalysts is similar to that of DFT models. The incorporated tungsten species enhanced the acid and redox properties of the catalyst, leading to high selectivity for acrylic acid (30.5%). It not only induced but also stabilized the reduced oxidation states of molybdenum and vanadium atoms, as confirmed by XPS and DFT calculations. Hence, a stable and selective production of acrylic acid was achieved with full glycerol conversion for 110 h. MoVW catalytic system with an additional acid catalyst bed exhibited remarkable selectivity for acrylic acid (47.2%), suggesting its potential for practical applications.

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Acrolein and Methacrolein

Cited by 8 publications

References 46 publications

Kinetic Modeling of the Partial Oxidation of Propylene to Acrolein: A Systematic Procedure for Parameter Estimation Based on Non-isothermal Data

Kinetic Modeling of the Partial Oxidation of Propylene to Acrolein: A Systematic Procedure for Parameter Estimation Based on Non-isothermal Data

Propylene Epoxidation using Molecular Oxygen over Copper- and Silver-Based Catalysts: A Review

Rational Design of a Bifunctional Catalyst for the Oxydehydration of Glycerol: A Combined Theoretical and Experimental Study

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