Modeling the liquid-phase oxidation of hydrocarbons over a range of temperatures and dissolved oxygen concentrations with pseudo-detailed chemical kinetics

Kuprowicz, Nicholas J.; Ervin, Jamie S.; Zabarnick, Steven

doi:10.1016/j.fuel.2004.03.013

Cited by 54 publications

(43 citation statements)

References 16 publications

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“…It is well known that autoxidation processes carried out in batch conditions and without initiators can have kinetic evolutions characterized by the presence of a random induction period . At industrial scale the liquid phase aerobic autoxidation of hydrocarbons is, instead, performed in continuous mode with gas–liquid reactors where fresh hydrocarbon is fed . For this reason, the use of initiators in a process plant should not have the same relevance that it has at laboratory scale.…”

Section: Resultsmentioning

confidence: 99%

Is it possible to implement N‐hydroxyphthalimide homogeneous catalysis for industrial applications? A case study of cumene aerobic oxidation

Melone

Prosperini

Ercole

et al. 2013

J of Chemical Tech & Biotech

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BACKGROUND\ud In spite of its efficiency and versatility, examples of the use of N-hydroxyphthalimide (NHPI) as catalyst for oxidations at industrial scale are scant, mainly due to the lack of methodologies for the recovery and reuse of the catalyst. This paper reports a step by step investigation of the aerobic oxidation of cumene (CU), in order to verify the usability of NHPI catalysis in industrial processes.\ud \ud RESULTS\ud CU is oxidized to the corresponding cumyl hydroperoxide (CHP) at 70°C in the presence of a polar co-solvent and 1% of NHPI with good conversion (>30%) and almost complete selectivity (>90%), without requiring the use of additional initiators. The catalyst is recovered at the end of the oxidation process by removal of polar co-solvent, with consequent precipitation of NHPI. The resulting filtered mixture is treated with non-basic supports, which are capable of adsorbing the residual NHPI by physical interaction. Finally, the adsorbing solids can be regenerated by washing with a polar solvent, allowing the recovery of residual catalyst.\ud \ud CONCLUSION\ud We provide evidence for the feasibility of the use of NHPI catalysis for industrial applications by investigating the case study of CU oxidation. The process can be performed under mild conditions without requiring the use of sacrificial initiators. The effect of temperature and composition in the NHPI precipitation step is investigated. The performances of basic and non-basic adsorbing beds during the recovery of residual NHPI are compared. The results obtained indicate that the recovery and recycling of the unaltered catalyst is possible without affecting, at the same time, the nature of cumyl hydroperoxide

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Section: Resultsmentioning

confidence: 99%

Is it possible to implement N‐hydroxyphthalimide homogeneous catalysis for industrial applications? A case study of cumene aerobic oxidation

Melone

Prosperini

Ercole

et al. 2013

J of Chemical Tech & Biotech

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“…Also, in the oxidation mechanism for a blended fuel such as PRF, cooxidation reactions between the individual fuel components have been found to be important [12,37]. The range of cooxidation reactions depends on the variety of species used in the reduced mechanism.…”

Section: Iso-octane Mechanism Formulationmentioning

confidence: 99%

A reduced chemical kinetic model for IC engine combustion simulations with primary reference fuels

Reitz

2008

Combustion and Flame

413

203

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“…It was assumed that the concentration of dissolved oxygen in the jet fuel to be around 70 ppm, in line with [12,5,6,7,8]. …”

Section: Fuel and Fuel Thermal Historymentioning

confidence: 99%

“…Previous works on the impact of both laminar [5,6] [7,8] and turbulent fluid flow [4,9,10] on jet fuel autoxidative deposition have been published using a simple straight cylindrical tubing of a constant diameter. However, in many current and future fuel injector deigns, the fuel passageways of the burner feed arm and the injector are far from this simple case and include geometric features such as: bends, annular regions, multiple parallel paths, features to introduce swirlers and large expansions and contractions in the flow.…”

Section: Introductionmentioning

confidence: 99%

Investigation of surface deposition in a simulated fuel injector feed arm with sudden expansion/contraction

Alborzi

Blakey

Ghadbeigi

et al. 2016

Fuel

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Article:Alborzi, E., Blakey, S., Ghadbeigi, H. orcid.org/0000-0001-6507-2353 et al. (2 more authors) (2016) Investigation of surface deposition in a simulated fuel injector feed arm with sudden expansion/contraction. Fuel, 186. pp. 534-543. ISSN 0016-2361 https://doi.org/10.1016/j.fuel.2016.08.080Article available under the terms of the CC-BY-NC-ND licence (https://creativecommons.org/licenses/by-nc-nd/4.0/) eprints@whiterose.ac.uk https://eprints.whiterose.ac.uk/ Reuse Unless indicated otherwise, fulltext items are protected by copyright with all rights reserved. The copyright exception in section 29 of the Copyright, Designs and Patents Act 1988 allows the making of a single copy solely for the purpose of non-commercial research or private study within the limits of fair dealing. The publisher or other rights-holder may allow further reproduction and re-use of this version -refer to the White Rose Research Online record for this item. Where records identify the publisher as the copyright holder, users can verify any specific terms of use on the publisher's website. TakedownIf you consider content in White Rose Research Online to be in breach of UK law, please notify us by emailing eprints@whiterose.ac.uk including the URL of the record and the reason for the withdrawal request. Investigation of Surface Deposition in a Simulated AbstractFormation of surface carbonaceous deposits at inner surface of two classes of simulated jet engine burner feed arm including a straight tube as well as two tubes with sudden expansion/contraction was studied using "Aviation Fuel Thermal Stability Test Unit(AFTSTU)". The generated results indicate that phenomena such as stagnant flow formation, flow separation and vena contracta have a substantial impact on surface deposition. Commercial "Computational Fluid Dynamics(CFD)"package, ANSYS Fluent was used to interpret the impact of flow features and heat transfer characteristics on surface deposition. The experimental data obtained in this work were used in a one dimensional heat transfer model for prediction of deposit thickness in simulated burner feed arms. Subsequently, the simulated burner feed arm with contraction/expansion structure were sectioned and prepared for deposit visualisation with "Scanning Electron Microscopy(SEM)". The results of visualised deposits are consistent with one dimensional heat transfer calculation.The novel set of experimental data presented in this work provides a basis for the construction of predictive models for calculation of deposit growth and total deposit mass in fuel injection system. A description of the model will be addressed in the second paper of this work which is currently under preparation. a an empirical correction factor based on previous experimental data h f uel convective heat transfer coefficient of jet fuel(W/m 2 K) KeywordsT 0 wall temperature at time zero(k)T t wall temperature at time t(K)T bulk bulk fuel temperature(k)

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Modeling the liquid-phase oxidation of hydrocarbons over a range of temperatures and dissolved oxygen concentrations with pseudo-detailed chemical kinetics

Cited by 54 publications

References 16 publications

Is it possible to implement N‐hydroxyphthalimide homogeneous catalysis for industrial applications? A case study of cumene aerobic oxidation

Is it possible to implement N‐hydroxyphthalimide homogeneous catalysis for industrial applications? A case study of cumene aerobic oxidation

A reduced chemical kinetic model for IC engine combustion simulations with primary reference fuels

Investigation of surface deposition in a simulated fuel injector feed arm with sudden expansion/contraction

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