Article
Environmental Sciences
Wenxuan Chai, Ming Wang, Jingyan Li, Guigang Tang, Guohan Zhang, Wentai Chen
Summary: This study investigated the sources, precursors, and impacts of carbonyls on radicals and ground-level ozone. It found that secondary production was a major contributor to carbonyls, and alkenes played a significant role as precursors. The study also revealed the important impacts of carbonyls on ozone production and the ozone-VOCs-NOx sensitivity.
ENVIRONMENTAL POLLUTION
(2023)
Article
Chemistry, Physical
Amit Kumar, Pradeep Kumar
Summary: This study investigates the effect of water molecules on the reactions HOCl + Cl -> ClO + HCl and HOCl + Cl -> OH + Cl-2 using quantum chemical and kinetics calculations. The results show that water molecules significantly decrease the energy barrier of both reactions. However, the effective rate constants for the water catalyzed path are lower than the bimolecular rate constant of the uncatalyzed path. The R2 reaction is found to dominate over the R1 reaction, with or without catalyst.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Engineering, Chemical
Colson Johnson, Pranav Bagaria, Jessica Nichols, Chad V. Mashuga
Summary: This study investigates the autoignition characteristics of three paraffins and three alcohols, and finds that the overall ignition behavior of some fuels changes between quartz and borosilicate glassware. Suggestions for improvements to the ASTM E659 standard are provided.
JOURNAL OF LOSS PREVENTION IN THE PROCESS INDUSTRIES
(2022)
Article
Chemistry, Physical
Zahraa Dbouk, Nesrine Belhadj, Maxence Lailliau, Roland Benoi, Philippe Dagaut
Summary: Low-temperature oxidation of limonene-O2-N2 mixtures was studied using various analytical techniques. The results showed the formation of a wide range of oxygenated compounds through different reaction pathways.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Thermodynamics
Xue Gong, Xiao Wang, Hua Zhou, Zhuyin Ren
Summary: This study numerically investigates the effects of hydrogen addition on laminar flame speeds, autoignition, and the coupling of autoignition and flame propagation for surrogate jet fuel n-dodecane at representative engine conditions. The results reveal the challenges for flame stabilization and the autoignition risks in combustor design due to the nonlinear increase in flame speed with hydrogen addition for fuel-rich conditions. The study also demonstrates the potential coupling of autoignition and flame propagation, showing that hydrogen addition can alleviate or eliminate the two-stage ignition characteristics for pure n-dodecane/air flames.
PROCEEDINGS OF THE COMBUSTION INSTITUTE
(2023)
Editorial Material
Biochemistry & Molecular Biology
Samantha R. Royle, John J. Young
Summary: Most living tetrapods show postaxial dominance in digit formation, except for urodele amphibians which exhibit preaxial dominance. Recent research has uncovered genetic differences between these two modes of limb development, indicating that variations in 5'Hoxd expression, regulated by Gli3, could be responsible for the switch in axial polarity.
Editorial Material
Biochemistry & Molecular Biology
Narendra P. Singh
Summary: This study demonstrates how the Hox transcription factor Ultrabithorax acts as both a repressor and an activator in a cell type-specific manner to alter chromatin accessibility and gene regulation.
Article
Energy & Fuels
Jeroen Dierickx, Luc Mattheeuws, Koen Christianen, Karsten Stenzel, Sebastian Verhelst
Summary: Hydrogen and methanol are promising fuels for sustainable transport due to their CO2 neutral, ultralow emissions, and high efficiency properties. The dual-fuel technology, where diesel is used as a pilot to ignite injected hydrogen or methanol, is of interest for retrofitting existing diesel engines. This study focuses on medium speed large bore engines and investigates the ignition delay timing of the diesel pilot, which is crucial for accurate numerical prediction of heat release.
Article
Energy & Fuels
Mark E. Redd, Joseph C. Bloxham, Neil F. Giles, Thomas A. Knotts, W. Vincent Wilding
Summary: An experimental study on minimum autoignition temperatures (AIT) of higher-carbon-number n-alkanes reveals unexpected behavior not predicted by current methods. The study shows a jump in AIT values for C16 and larger alkanes, with experimental modifications to account for altitude effects. The impact on trends in other chemical families is discussed based on mechanistic explanations proposed.
Article
Energy & Fuels
Elyasa Al-Gharibeh, Chad Dunkel, Dev Shrestha, Kamal Kumar
Summary: This study investigates the low-temperature oxidation of canola and coconut-derived biodiesel in a motored engine. By changing the compression ratio, the extent of the reaction was controlled and analyzed using in-cylinder pressure measurements and speciation analysis. The results indicate that the low-temperature oxidation chemistry of these biodiesels is similar to saturated single-component methyl esters, but the heat release is suppressed due to unsaturated compounds. The experimental results show higher reactivity and stable intermediate concentrations in coconut biodiesel compared to canola biodiesel.
Article
Mechanics
Sayop Kim, Roberto Torelli, Surya Kaundinya Oruganti, Je Ir Ryu, Tonghun Lee, Kenneth S. Kim, Chol-Bum M. Kweon
Summary: This research introduces a new wall-stress model called the SIWS model, which considers the effects of spray-wall impingement and the resulting formation of wall stress within the Lagrangian spray modeling framework. The model is validated using experimental data and applied to an ignition assistance device. The study analyzes the mechanical impulse caused by the high-speed impact of the spray jet and the resulting accumulation of mechanical stress on the device, and compares it with traditional gas-solid interaction models.
Article
Geosciences, Multidisciplinary
Olivia E. Clifton, Edward G. Patton, Mary Barth, John Orlando, Siyuan Wang, Colleen Baublitz
Summary: The oxidation of reactive carbon fuels has significant impacts on climate and pollution-related chemistry. Deciduous forests, especially through isoprene emissions, are important sources of reactive carbon. Turbulence can physically segregate oxidants from reactive carbon, resulting in changes in oxidation under non-well-mixed conditions. Using simulation models, these researchers quantify the impact of segregating reactive carbon from hydroxyl radicals (OH) near-canopy, finding that segregation can alter OH reactivity by up to 9%, depending on various factors. There may be discrepancies between direct measurements and estimates of OH reactivity due to segregation, separate from any issues with mischaracterized or unknown OH sinks.
GEOPHYSICAL RESEARCH LETTERS
(2023)
Article
Thermodynamics
Miles A. Burnett, Margaret S. Wooldridge
Summary: The study investigates the autoignition properties of propane and oxygen mixtures, revealing different characteristics of autoignition under various equivalence ratios. The results validate transitions in autoignition behavior and discuss the effects of pre-autoignition heat release associated with mixed autoignition conditions.
COMBUSTION AND FLAME
(2021)
Article
Engineering, Mechanical
Sean P. Cooper, Zachary K. Browne, Sulaiman A. Alturaifi, Olivier Mathieu, Eric L. Petersen
Summary: When choosing lubricating oil for a gas turbine system, properties such as viscosity, viscosity index, corrosion prevention, thermal stability, and reactivity are important. A new experiment was designed and tested to evaluate lubricating oils' reactivity, as conventional methods were impractical due to the low vapor pressure of these lubricants.
JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER-TRANSACTIONS OF THE ASME
(2021)
Article
Thermodynamics
Roberto Solana-Perez, Sergey A. Shcherbanev, Bayu Dharmaputra, Andrea Ciani, Nicolas Noiray
Summary: The combustion regime transition in a sequential burner supplied with H2 is experimentally studied. The results show that the combustion process in the burner can be accurately analyzed and predicted using experimental data and numerical simulations.
PROCEEDINGS OF THE COMBUSTION INSTITUTE
(2023)
Review
Chemistry, Applied
F. Battin-Leclerc, N. Delort, I. Meziane, O. Herbinet, Y. Sang, Y. Li
Summary: Small aromatic molecules with oxygen-containing functional groups, known as monoaromatic oxygenates, are potential fuel additives produced from the catalytic depolymerization of lignin. This mini-review article provides an overview of the production and combustion performance of these aromatic oxygenates. It covers their chemical structure, physical properties, global combustion performance, and kinetic studies. The article concludes with a perspective on future research directions.
Article
Thermodynamics
Ismahane Meziane, Yann Fenard, Nicolas Delort, Olivier Herbinet, Jeremy Bourgalais, Ajoy Ramalingam, Karl Alexander Heufer, Frederique Battin-Leclerc
Summary: The pyrolysis and oxidation of acetone were studied using three complementary experimental setups. The results show that acetone starts to decompose around 800K, producing small hydrocarbons and other compounds. Ignition delay times and laminar burning velocities were also measured, and a detailed kinetic model was developed.
COMBUSTION AND FLAME
(2023)
Article
Chemistry, Physical
Bingzhi Liu, Shijun Dong, Janney Debleza, Weiye Chen, Qiang Xu, Hong Wang, Jeremy Bourgalais, Olivier Herbinet, Henry J. Curran, Frederique Battin-Leclerc, Zhandong Wang
Summary: In this study, experiments were conducted to investigate the oxidation of neopentane. Various oxidation intermediates were detected and quantified, providing valuable data for validating the kinetic model. The pressure dependencies of rate constants for certain reactions were considered, improving the prediction of the low-temperature oxidation reactivity of neopentane.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Physical
Nicolas Vin, Hans-Heinrich Carstensen, Olivier Herbinet, Jeremy Bourgalais, Maria Ujue Alzueta, Frederique Battin-Leclerc
Summary: This study investigates the thermal decomposition of isopropyl nitrate and its subsequent chemistry under different conditions. Experimental results show that the decomposition of isopropyl nitrate starts at 473 K, producing isopropoxy radical and nitrogen dioxide. The major products detected are acetaldehyde, formaldehyde, methanol, nitromethane, etc. The reaction mechanism and rate expressions have been improved to better predict the observed product profiles.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Optics
Tianyue Yang, Xuechun Wu, Guqing Guo, Xu Guo, Ting Gong, Yali Tian, Xiaocong Sun, Xuanbing Qiu, Huinan Yang, Christa Fittschen, Chuanliang Li
Summary: A miniaturized multipass cell (MMPC) was developed to improve the sensitivity of laser spectrometer for detecting O2 content in vial headspaces. The signal-to-noise ratio was improved by 6 times compared to single pass configuration, and the minimum detection sensitivity was estimated at 0.05%.
OPTICS AND LASERS IN ENGINEERING
(2023)
Article
Engineering, Environmental
Alessandro Stagni, Suphaporn Arunthanayothin, Mathilde Dehue, Olivier Herbinet, Frederique Battin-Leclerc, Pierre Brequigny, Christine Mounaim-Rousselle, Tiziano Faravelli
Summary: Understanding the chemistry of ammonia/hydrogen mixtures oxidation is vital for their versatile application in propulsion systems and power generation. This study investigated the oxidation of such blends under low- and intermediate-temperature conditions through experimental and kinetic-modeling approaches. The experimental campaign measured the mole fraction of fuels, oxidizer, and final products, while a comprehensive kinetic model was used to interpret the results and expand the analysis to literature data. The role of HO2 in regulating fuel conversion and autoignition at low temperature was confirmed, and the nitrogen fate was primarily controlled by NHx + NO propagation and termination channels.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Energy & Fuels
Remi Demol, Miguel Ruiz, Adam Schnitzer, Olivier Herbinet, Guillain Mauviel
Summary: Among the methods to reduce tar emission, the partial oxidation (POX) of biomass gasification tars has been studied both experimentally and numerically. The POX unit demonstrated the ability to reduce tar levels by 60 to 90%, with lighter tars almost completely eliminated. The model provided relatively accurate predictions of the hydrocarbon species variations.
Article
Chemistry, Analytical
Minxia Mao, Ting Gong, Kangjie Yuan, Lin Li, Guqing Guo, Xiaocong Sun, Yali Tian, Xuanbing Qiu, Christa Fittschen, Chuanliang Li
Summary: This article introduces a coin-sized oxygen sensor designed with a small toroidal absorption cell. Tunable diode laser absorption spectroscopy and wavelength modulation spectroscopy are used for measurement, resulting in a sensor with high sensitivity and stability, demonstrating good performance in atmospheric O2 measurement.
Article
Chemistry, Physical
Cuihong Zhang, Chuanliang Li, Weijun Zhang, Xiaofeng Tang, Laure Pillier, Coralie Schoemaecker, Christa Fittschen
Summary: The cross-reaction of ethyl peroxy radicals (C2H5O2) with methyl peroxy radicals (CH3O2) was studied using laser photolysis coupled with continuous wave cavity ring down spectroscopy. The detection scheme demonstrated great advantages compared to the widely used, but unselective UV absorption spectroscopy. The experimental results showed a rate constant for the cross-reaction of (3.8±1.0) x 10(-13) cm(3) s(-1) and a yield for the radical channel, leading to CH3O and C2H5O, of 0.40±0.20.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Biochemistry & Molecular Biology
Hao Yue, Cuihong Zhang, Xiaoxiao Lin, Zuoying Wen, Weijun Zhang, Sabah Mostafa, Pei-Ling Luo, Zihao Zhang, Patrick Hemberger, Christa Fittschen, Xiaofeng Tang
Summary: In this study, the self-reaction of ethyl peroxy radicals was comprehensively investigated using vacuum ultraviolet photoionization mass spectrometry and theoretical calculations. The dimeric product as well as other products formed from the self-reaction were observed and confirmed. The study provides a direct measurement of the elusive dimeric product ROOR and demonstrates its non-negligible branching ratio.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Thermodynamics
Jeremy Bourgalaisa, Caroline Smith Lewin, Olivier Herbinet, Gustavo A. Garcia, Philippe Arnoux, Luc-Sy Tran, Guillaume Vanhove, Laurent Nahon, Frederique Battin-Leclerc
Summary: Understanding the chemical reactions during the low-temperature oxidation of alkenes is crucial for advanced energy conversion devices. The oxidation of 1-hexene was studied using PEPICO spectroscopy, and the results revealed discrepancies between the predictions of kinetic models and experimental observations, particularly in the formation of hydroxyl ketohydroperoxides.
COMBUSTION AND FLAME
(2023)
