The kinetic modeling of cumene oxidation taking into account oxygen mass transfer

Харлампиди, Х. Э.; Tereshchenko, K. A.; Nurmurodov, T.Sh.; Shiyan, D. A.; Miroshkin, N.P.; Ziyatdinov, N. N.; Ziganshina, A. S.; Nurullina, N. M.; Хурсан, С. Л.; Ulitin, N. V.

doi:10.1016/j.cej.2019.123811

Cited by 20 publications

(10 citation statements)

References 24 publications

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“…Both Hattori 16 and Ulitin 17 found that there was a weak dependence of ROOH’s accumulation rate on oxygen when the oxygen concentration or the partial pressure of oxygen was higher than some value. To our knowledge, there were no reports to solve the general critical oxygen concentration related to temperature.…”

Section: Resultsmentioning

confidence: 99%

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Effects of Oxygen: Experimental and VTST/DFT Studies on Cumene Autoxidation with Air under Atmospheric Pressure

Zhao

Meng

et al. 2022

ACS Omega

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The mechanism of how oxygen affects cumene autoxidation related to temperature is still bewildering. Kinetic analysis of cumene autoxidation with air at a pressure of 1.0 atm was investigated by experiments and variational transition state theory/DFT. Oxygen was the limiting factor for cumene autoxidation above 100 °C, although it had negligible impacts on cumene autoxidation at 70–100 °C. The kinetic analysis by VTST coupled with DFT calculations proved that { k 6,reverse [ROO • ]}/{ k 7,forward [RH] 0 [ROO • ]} > 10 3 (70–120 °C), suggesting that ROO • tended to decompose back to R • and O 2 rapidly, whereas it was much slower for ROO • abstracting a hydrogen atom from RH to form ROOH. When the concentration of oxygen was higher than the critical value ([O 2 ] critical ), it could not significantly affect the equilibrium concentration of ROO • , which in turn could not affect the autoxidation rate significantly. Besides, the critical oxygen concentration ([O 2 ] critical ) was exponentially related to 1/ T , which was consistent with Hattori’s experimental results.

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Section: Resultsmentioning

confidence: 99%

“… 4 Nevertheless, oxygen was undoubtedly one of the major factors and has attracted a lot of attention. 16 , 17 Hattori et al. 16 found that the oxidation rate constant was not affected by oxygen when the partial pressure of oxygen in the gas phase was higher than a certain value.…”

Section: Introductionmentioning

confidence: 99%

Effects of Oxygen: Experimental and VTST/DFT Studies on Cumene Autoxidation with Air under Atmospheric Pressure

Zhao

Meng

et al. 2022

ACS Omega

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“…13,51 In most cases, the process can be regarded as a predetermined automatic oxidation process for reactions (1)-(5). 52,53 Its catalytic peroxidation process on L-C-M involves the combination of free radical reactions on the surface of and inside of particles.…”

Section: Resultsmentioning

confidence: 99%

A new highly active La₂O₃–CuO–MgO catalyst for the synthesis of cumyl peroxide by catalytic oxidation

et al. 2021

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“…In order to optimize the yield and reduce the side reactions a correct design of reactors is required, also taking into account the important safety aspects that this reaction implies . Different kinetic models have been proposed over the last several decades (see e.g., ref ), but the subject is continuously investigated . Since CHP once formed tends to thermally decompose, the conversion of cumene is limited to around 30%.…”

Section: Oxidation Of Cumene To Cumylhydroperoxide (Chp)mentioning

confidence: 99%

Zeolite-Based Catalysis for Phenol Production

Perego

Angelis

Pollesel

et al. 2021

Ind. Eng. Chem. Res.

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Phenol is an important chemical commodity utilized for several applications (e.g., polycarbonate, epoxy–resins, phenolic resins, nylon). Its conventional production starts from benzene and propylene and is based on a series of reaction steps most of which are catalyzed by acid catalysts. Besides this technology other ones have been considered during the last decades, starting from other reactants and catalysts. Looking at the catalyst types both already in use or under evaluation, it is interesting to note that zeolites, as acidic catalysts or red-ox catalysts, were widely investigated. Therefore, the production of phenol represents a fascinating example of how zeolite catalysis contributes to improving the sustainability of these chemical processes by displacing the previous large use of corrosive and dangerous liquid acids and improving overall selectivity, which reduces the side production of wastes. Aromatic alkylation, transalkylation, and disproportionation, oxidations, rearrangements, oligomerization, and cracking are the reactions occurring in phenol production technologies, but also key unit operations in refineries and the chemical industry. A review of the zeolite catalysts utilized and proposed by major licensors and research groups in these technologies is provided as well as a discussion of key process differences and recent advances.

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The kinetic modeling of cumene oxidation taking into account oxygen mass transfer

Cited by 20 publications

References 24 publications

Effects of Oxygen: Experimental and VTST/DFT Studies on Cumene Autoxidation with Air under Atmospheric Pressure

Effects of Oxygen: Experimental and VTST/DFT Studies on Cumene Autoxidation with Air under Atmospheric Pressure

A new highly active La₂O₃–CuO–MgO catalyst for the synthesis of cumyl peroxide by catalytic oxidation

Zeolite-Based Catalysis for Phenol Production

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The kinetic modeling of cumene oxidation taking into account oxygen mass transfer

Cited by 20 publications

References 24 publications

Effects of Oxygen: Experimental and VTST/DFT Studies on Cumene Autoxidation with Air under Atmospheric Pressure

Effects of Oxygen: Experimental and VTST/DFT Studies on Cumene Autoxidation with Air under Atmospheric Pressure

A new highly active La2O3–CuO–MgO catalyst for the synthesis of cumyl peroxide by catalytic oxidation

Zeolite-Based Catalysis for Phenol Production

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Product

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A new highly active La₂O₃–CuO–MgO catalyst for the synthesis of cumyl peroxide by catalytic oxidation