The study of bimolecular radical reactions using a novel time-resolved photoionization time-of-flight mass spectrometry and laser absorption spectrometry apparatus by Middaugh, Joshua E. (Joshua Eugene)

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Rapid oxidation of mercury (Hg) at volcanic vents: Insights from high temperature thermodynamic models of Mt Etna's emissions by Martin, R, Witt, M, Pyle, D, Mather, T, Watt, S, Bagnato, E, Calabrese, S

“…The model and results are widely applicable to other open-vent volcanoes and may be used to improve the accuracy of chemical kinetic models for low temperature Hg speciation in volcanic plumes. © 2011 Elsevier B.V.…”

Chemical Reactions Using a Non-Equilibrium Wigner Function Approach by Ramón F. Álvarez-Estrada, Gabriel F. Calvo

“…A comparison with the standard chemical kinetic equations is made. The time τ required for the two particles to transition from the bound state to unbound configurations is studied by means of the mean first passage time formalism. …”
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Numerical Investigation on the Jet Characteristics and the Heat and Drag Reductions of Opposing Jet in Hypersonic Nonequilibrium Flows by Wenqing Zhang, Xiaowei Wang, Zhijun Zhang, Tianyi Su

“…The time-accurate, nonequilibrium N-S equations coupled with the five-species Park chemical kinetic model and vibrational energy excitation were applied, and an open source solver Hy2FOAM based on the OpenFOAM platform was adopted. …”
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A Rapid Compression Machine Study of 2-Phenylethanol Autoignition at Low-To-Intermediate Temperatures by Ruozhou Fang, Chih-Jen Sung

“…The comparison of experimental and simulated results also provides insights into 2-PE autoignition behaviors at varying conditions. Further chemical kinetic analyses demonstrate that the absence of the O₂-addition pathway of β-<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mover><mi mathvariant="normal">R</mi><mo>.…”
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NOx emissions from ammonia-hydrogen fueled SI Engines by Makoto KOIKE, Tetsunori SUZUOKI, Hiroshi MIYAGAWA

“…Three representative chemical kinetic models were applied and compared each other and with experiment. …”
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An Experimental and Kinetic Modelling Study on Laminar Premixed Flame Characteristics of Ethanol/Acetone Mixtures by Yangxun Liu, Weinan Liu, Huihong Liao, Wenhua Zhou, Cangsu Xu

“…Furthermore, a detailed chemical kinetic mechanism (AramcoMech 3.0) is used for simulating the burning characteristics of the mixtures. …”
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Simplified 3D GCM modelling of the irradiated brown dwarf WD 0137−349B by Lee, GKH, Casewell, SL, Chubb, KL, Hammond, M, Tan, X, Tsai, S-M, Pierrehumbert, RT

“…Our model overpredicts the IR phase curve fluxes by factors of ≈1–3, but generally fits the shape of the phase curves well. Chemical kinetic modelling using VULCAN suggests a highly ionized region at high altitudes can form on the dayside of the brown dwarf. …”

Experimental and Computational Analysis of NO<i>_x</i> Photocatalytic Abatement Using Carbon-Modified TiO₂ Materials by Tatiana Zhiltsova., Nelson Martins, Mariana R. F. Silva, Carla F. Da Silva, Mirtha A. O. Lourenço, David M. Tobaldi, Daniel Covita, Maria Paula Seabra, Paula Ferreira

“…In the present study, two photocatalytic graphene oxide (GO) and carbon nanotubes (CNT) modified TiO₂ materials thermally treated at 300 °C (T300_GO and T300_CNT, respectively) were tested and revealed their conversion efficiency of nitrogen oxides (NO<i>_x</i>) under simulated solar light, showing slightly better results when compared with the commercial Degussa P25 material at the initial concentration of NO<i>_x</i> of 200 ppb. A chemical kinetic model based on the Langmuir–Hinshelwood (L-H) mechanism was employed to simulate micropollutant abatement. …”
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Laminar burning velocity of hydrogen, methane, ethane, ethylene, and propane flames at near-cryogenic temperatures by Anupam Ghosh, Natalia M. Munoz-Munoz, Karl P. Chatelain, Deanna A. Lacoste

“…Overall, this study provides valuable information on the laminar burning velocities of various hydrocarbon and hydrogen fuels at near-cryogenic temperatures, which can be useful for the design of cryogenic storage systems and the validation of chemical kinetic models for conditions below ambient temperatures.…”
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Comparative Analysis of Flame Propagation and Flammability Limits of CH₄/H₂/Air Mixture with or without Nanosecond Plasma Discharges by Ghazanfar Mehdi, Maria Grazia De Giorgi, Sara Bonuso, Zubair Ali Shah, Giacomo Cinieri, Antonio Ficarella

“…A validated version of the plasma and chemical kinetic mechanisms was used. Two numerical tools, ZDPlasKin and CHEMKIN, were combined to analyze the thermal and kinetic effects of NSPD on flame speed enhancement. …”
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The reactor-based perspective on finite-rate chemistry in turbulent reacting flows: A review from traditional to low-emission combustion by Arthur Péquin, Michael J. Evans, Alfonso Chinnici, Paul R. Medwell, Alessandro Parente

“…The models may include multiscale mixing, detailed chemical kinetic schemes and high-fidelity multispecies diffusion treatments. …”
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Premixed combustion and emission characteristics of methane diluted with ammonia under F-class gas turbine relevant operating condition by Yanfei Zhang, Yanfei Zhang, Dapeng Zhao, Dapeng Zhao, Qin Li, Mingming Huang, Mingming Huang, Qing Hao, Jianji Du, Yang Song, Yang Song, Zhaoqing Ming, Zhaoqing Ming, Jihang Wang, Jihang Wang

“…This research uses the PREMIX code from ANSYS CHEMKIN-PRO 2020 and Okafor chemical kinetic mechanisms and provides a reference for our subsequent analysis of gas turbine operating conditions. …”
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Simulation of a rapid compression machine for evaluation of ignition chemistry and soot formation using gasoline/ethanol blends by Musharrat Chowdhury, Joseph Gross, Casey Allen, Adam Dempsey

“…A Rapid Compression Machine (RCM) is modeled in a three-dimensional numerical simulation using CONVERGE computational software using a reduced chemical kinetic mechanism with SAGE chemistry solver and a RANS k-ϵ turbulence model with a sector model including the creviced piston. …”
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The Laminar Burning Velocities of Stoichiometric Methane–Air Mixture from Closed Vessels Measurements by Maria Mitu, Codina Movileanu, Venera Giurcan

“…Data obtained from measurements were completed and compared with data obtained from runs using two different detailed chemical kinetic mechanisms (GRI 3.0 and Warnatz) and with laminar burning velocities from literature. …”
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Numerical simulation of a diesel engine performance powered by soybean biodiesel and diesel fuels by Mohamed Khaled Abdelrazek, Mohsen Mohamed Abdelaal, Ahmed Mustafa El-Nahas

“…The modeling was performed using commercial computational fluid dynamics (CFD) software linked to a chemical solver. A chemical kinetic reaction mechanism was developed to simulate the combustion and fuel spray processes. …”
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Effects of hydrogen addition on NOx formation in a non-premixed methane low-NOx combustor by Jiaying CHENG, Tong ZHU, Biao DENG

“…Previous research has widely reported NOx generation with hydrogen enrichments from a chemical kinetic perspective, however, the NOx formation principles in non-premixed methane/air combustion using IFGR with hydrogen addition are still unclear. …”
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Prediction of Novel Humified Gas Turbine Cycle Parameters for Ammonia/Hydrogen Fuels by Milana Guteša Božo, Agustin Valera-Medina

“…The combustion analysis was done using CHEMKIN-PRO (ANSYS, Canonsburg, PA, USA), and the results were used for determination of the combustion efficiency. Chemical kinetic results denote the production of very low NOx as a consequence of the recombination of species in a post combustion zone, thus delivering atmospheres with 99.2% vol. clean products. …”
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Modifying rates of reductive elimination of leaving groups from indolequinone prodrugs: a key factor in controlling hypoxia-selective drug release. by Everett, SA, Swann, E, Naylor, M, Stratford, MR, Patel, K, Tian, N, Newman, R, Vojnovic, B, Moody, C, Wardman, P

“…Elimination from the methyl substituted analogue can thus compete effectively with the reaction of the semiquinone radical with oxygen at levels typically present in tumours (half-life approximately 1.8 ms at 0.5% O2). Chemical kinetic predictions were confirmed by metabolism in breast tumour MCF-7 cells between 0-2.1% O2. …”

Usage of Converter Gas as a Substitute Fuel for a Tunnel Furnace in Steelworks by Dorota Musial, Magdalena Szwaja, Marek Kurtyka, Stanislaw Szwaja

“…Simulations of combustion were conducted using a skeletal chemical kinetic mechanism by Konnov. The directed relation graph with error propagation aided sensitivity analysis (DRGEPSA) method was used to obtain this skeletal kinetic mechanism. …”
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