Development of kinetic models for the formation and degradation of unsaturated hydrocarbons at high temperature
Literature Information
This paper presents a review of recent work concerning oxidation and combustion reactions related to kinetic models involving unsaturated hydrocarbons, which have been obtained by using EXGAS, the system for the automatic generation of detailed mechanism developed in our laboratory: First, a modelling of the ignition delays of but-1-yne and but-2-yne obtained in a shock tube is described. In the second part, the types of generic reactions, which are used in the primary mechanism of the oxidation of alkenes are presented, together with a validation of the models generated by using the rules that we have defined. For that purpose, a modelling of experimental results of the propene and but-1-ene oxidations in a perfectly stirred reactor is proposed. Finally, a consideration of a study of the oxidation of n-hexadecane in a jet-stirred reactor is made which emphasises the importance of the role of the reactions consuming alkenes in correctly reproducing the oxidation of long linear alkanes.
Recommended Journals
Related Literature
Polypentenamer thermoplastic elastomers via copolymerization of cyclopentene and dicyclopentadiene
Daniel W. Weller, Robert Halbach, Alexander V. Zabula, Sarah J. Mattler, Xiaodan Gu, Carlos R. López-Barrón
DOI: 10.1039/D3LP00076A
Multidisciplinary approaches for enzyme biocatalysis in pharmaceuticals: protein engineering, computational biology, and nanoarchitectonics
Ronald Sluyter, Konstantin Konstantinov, Jung Ho Kim
DOI: 10.1039/D3EY00239J
Cobalt-free layered perovskites RBaCuFeO5+δ (R = 4f lanthanide) as electrocatalysts for the oxygen evolution reaction
Jike Lyu, Maxime Leménager, N. Sena Yüzbasi, Dino Aegerter, Jinzhen Huang, Niéli D. Daffé, Adam H. Clark, Denis Sheptyakov, Thomas Graule, Maarten Nachtegaal, Ekaterina Pomjakushina, Matthias Krack, Emiliana Fabbri, Marisa Medarde
DOI: 10.1039/D3EY00142C
Physicochemical and microbiological effects of geological biomethane storage in deep aquifers: introduction of O2 as a cocontaminant
P. G. Haddad, M. Guignard, J. Mura, P. Sénéchal, M. Larregieu, M.-P. Isaure, P. Moonen, G. Hoareau, A. Petit
DOI: 10.1039/D3VA00086A
Highly selective Ag foam gas diffusion electrodes for CO2 electroreduction by pulsed hydrogen bubble templation
Hendrik Hoffmann, Maximilian Kutter, Jens Osiewacz, Melanie-Cornelia Paulisch-Rinke, Steffen Lechner, Barbara Ellendorff, Annika Hilgert, Ingo Manke, Thomas Turek, Christina Roth
DOI: 10.1039/D3EY00220A
Intersections between materials science and marine plastics to address environmental degradation drivers: a machine learning approach
Henrique de Medeiros Back, Daphiny Pottmaier, Camilla Kneubl Andreusi, Orestes Estevam Alarcon
DOI: 10.1039/D3VA00106G
Optimizing the electronic configuration of h-BN for boosting the photocatalytic transformation of acid gases under visible light
Libin Zeng, Jiali Wang, Can Yang
DOI: 10.1039/D3VA00239J
Management strategies for single-use plastics: lessons to learn from Indian approach of minimizing microplastic waste
Surya Singh, Mrinal Kanti Biswas
DOI: 10.1039/D3VA00222E
Modified Cu–Zn–Al mixed oxide dual function materials enable reactive carbon capture to methanol
Chae Jeong-Potter, Martha A. Arellano-Treviño, W. Wilson McNeary, Alexander J. Hill, Daniel A. Ruddy, Anh T. To
DOI: 10.1039/D3EY00254C
You might also like
How should waste containing (6-Bromo-2-naphthyl)oxy](dimethyl)(2-methyl-2-propanyl)silane be handled?
Waste containing (6-Bromo-2-naphthyl)oxy](dimethyl)(2-methyl-2-propanyl)silane (...
How is 7-Fluoro-4-isoquinolinecarboxylic acid (CAS: 1841081-40-0) typically synthesized?
7-Fluoro-4-isoquinolinecarboxylic acid can be synthesized via a multi-step proce...
What are the physical and chemical properties of 2,3,5,6-Tetrabromothieno[3,2-b]thiophene (CAS: 124638-53-5)?
2,3,5,6-Tetrabromothieno[3,2-b]thiophene is a crystalline compound with a high m...
Is 1-[4-(Benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide (CAS: 1542705-92-9) safe?
1-[4-(Benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indol...
What is the market or research trend for imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxylic acid, 3,4-dihydro-3-methyl-4-oxo- (CAS: 113942-30-6)?
The market for imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxylic acid, 3,4-dihydro-3...
What is 3-(Triisopropylsilyl)propiolaldehyde (CAS: 163271-80-5)?
3-(Triisopropylsilyl)propiolaldehyde is a synthetic organic compound with the CA...
What regulatory guidelines apply to 6-Nitro-2H-1,4-benzoxazin-3(4H)-one (CAS: 81721-87-1)?
6-Nitro-2H-1,4-benzoxazin-3(4H)-one (CAS: 81721-87-1) is subject to various regu...
How should waste containing (3-Fluorophenyl)(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)acetic acid (CAS: 885272-91-3) be handled?
Waste containing (3-Fluorophenyl)(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piper...
What are the physical and chemical properties of N,N'-4,4'-Biphenyldiyldiisonicotinamide (CAS: 55119-40-9)?
N,N'-4,4'-Biphenyldiyldiisonicotinamide is a white crystalline solid with a mole...
What industries use 6-Bromo-8-fluoro-2-quinazolinol (CAS: 1036756-15-6)?
6-Bromo-8-fluoro-2-quinazolinol is primarily used in the pharmaceutical industry...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.











![2,9-Dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione structure 2,9-Dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione structure](https://static.chemtradehub.com/structs/308/3089-17-6-750b.webp)

![10-(1-Azabicyclo[2.2.2]oct-3-ylmethyl)-10H-phenothiazine structure 10-(1-Azabicyclo[2.2.2]oct-3-ylmethyl)-10H-phenothiazine structure](https://static.chemtradehub.com/structs/292/29216-28-2-1d81.webp)
