Towards Understanding Factors Affecting Arsenic, Chromium, and Vanadium Mobility in the Subsurface by Hannah R. Peel, Fatai O. Balogun, Christopher A. Bowers, Cass T. Miller, Chelsea S. Obeidy, Matthew L. Polizzotto, Sadeya U. Tashnia, David S. Vinson, Owen W. Duckworth

“…However, understanding the complexity and heterogeneous subsurface environment requires knowledge of solid-phase minerals, hydrologic movement, aerobic and anaerobic environments, microbial interactions, and complicated chemical kinetics. Here, we examine the relevant geochemical and hydrological information about the release and transport of potentially hazardous geogenic contaminants, specifically As, Cr, and V, as well as the potential challenges in developing a robust understanding of their behavior in the subsurface. …”
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Enhanced Degradation of Paracetamol by the Fe(III)-Sulfite System under UVA Irradiation by Yanan Yuan, Feng Wu, Marcello Brigante, Gilles Mailhot

“…The influencing factors, such as initial pH and Fe(III)/S(IV) molar ratio on chemical kinetics, and the mechanism of PARA degradation are investigated, with an emphasis on the determination of dominant oxidant species. …”
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Photoluminescent Lanthanide(III) Coordination Polymers with Bis(1,2,4-Triazol-1-yl)Methane Linker by Elizaveta A. Ivanova, Ksenia S. Smirnova, Ivan P. Pozdnyakov, Andrei S. Potapov, Elizaveta V. Lider

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Coffee Pulp Gasification for Syngas Obtention and Methane Production Simulation Using Ni Catalysts Supported on Al₂O₃ and ZrO₂ in a Packed Bed Reac... by Carlos Esteban Aristizábal-Alzate, Ana Belén Dongil, Manuel Romero-Sáez

“…This study investigated CO₂ methanation with three Ni catalysts supported on Al₂O₃ and ZrO₂, which were simulated using a mathematical model of a packed bed reactor designed based on their chemical kinetics reported in the literature. The simulated reactive system was fed with syngas obtained from residual coffee pulp obtained after a solvent phytochemical extraction process under several gasification conditions. …”
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An Artificial Neural Network for the Low-Cost Prediction of Soot Emissions by Mehdi Jadidi, Stevan Kostic, Leonardo Zimmer, Seth B. Dworkin

“…It is considered to be a tremendously complicated phenomenon which includes multiphase flow, thermodynamics, heat transfer, chemical kinetics, and particle dynamics. Although various numerical approaches have been developed for the detailed modeling of soot evolution, most industrial device simulations neglect or rudimentarily approximate soot formation due to its high computational cost. …”
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Simple membrane-based model of the Min oscillator by Zdeněk Petrášek, Petra Schwille

“…The model is restricted to one dimension, with protein interactions described by chemical kinetics allowing at most bimolecular reactions, and explicitly considering only three, membrane-bound, species. …”
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2,5-Di-tert-butyl-2,5-diethylpyrrolidine-1-oxyls: Where Is a Reasonable Limit of Sterical Loading for Higher Resistance to Reduction? by Irina F. Zhurko, Sergey A. Dobrynin, Yurii I. Glazachev, Yuri V. Gatilov, Igor A. Kirilyuk

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Hydrogen Combustion: Features and Barriers to Its Exploitation in the Energy Transition by Eugenio Giacomazzi, Guido Troiani, Antonio Di Nardo, Giorgio Calchetti, Donato Cecere, Giuseppe Messina, Simone Carpenella

“…Hydrogen blends are also included, from the well-known hydrogen enriched natural gas (HENG) to the hydrogen and ammonia blends whose chemical kinetics is still not clearly defined. Hydrogen and hydrogen blends combustion characteristics will be firstly summarized in terms of standard properties like the laminar flame speed and the adiabatic flame temperature, but also evidencing the critical role of hydrogen preferential diffusion in burning rate enhancement and the drastic reduction in radiative emission with respect to natural gas flames. …”
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Numerical Simulation of Coupled Pyrolysis and Combustion Reactions with Directly Measured Fire Properties by Khalid Moinuddin, Qazi Samia Razzaque, Ananya Thomas

“…A three-dimensional computational fluid dynamics (CFD)-based fire model (Fire Dynamics Simulator, FDS version 6.2) was used for simulating the PMMA (non-charring), pine (charring), wool (charring) and cotton (charring) flaming fire experiments conducted with a cone calorimeter at 50 and 30 kW/m² irradiance. The inputs of chemical kinetics and the heat of reaction were obtained from sample mass change and enthalpy data in TGA and differential scanning calorimetry (DSC) tests and the flammability parameters were obtained from cone calorimeter experiments. …”
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INFLUENCE OF THE OXIDIZER ON THE FORMATION AND PURIFICATION EFFICIENCY OF ACID GASES PRODUCED DURING ASPHALTENE GASIFICATION by Denis V. Ermolaev, Ayrat Z. Daminov

“…Methods: simulation of asphaltene gasification and acid gas absorption taking into account influence of an oxidizer in a form of steam with regard for basic chemical kinetics, ultimate analysis and TGA. Simulation results of gasification and absorption showed that steam used as an oxidizer during asphaltene gasification has a significant influence on the composition and properties of gasification products, as well as on the purification of syngas. …”
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Non-linear and multi-domain modelling of a free piston engine with linear electric machine by Patrick Brosnan, Guohong Tian, Umberto Montanaro, Sam Cockerill

“…In addition to validating the proposed modelling approach, this paper concludes with a simulation study that demonstrates the embedding of a novel surrogate Chemical Kinetics (CK) description of the hydrous ethanol auto-ignition process and the resultant influence on the FPE dynamics, most importantly, on gaseous emission formation.Therefore, this paper aims to extend the current knowledge in this novel and emerging technology by considering the characteristic non-linearity and multi-directional nature of its coupling with multi-physical domains such as mechanical, chemical and electrical.…”
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4-Dialkylamino-2,5-dihydroimidazol-1-oxyls with Functional Groups at the Position 2 and at the Exocyclic Nitrogen: The pH-Sensitive Spin Labels by Dmitrii G. Trofimov, Yuri I. Glazachev, Artem A. Gorodetsky, Denis A. Komarov, Tatyana V. Rybalova, Igor A. Kirilyuk

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A Novel Reduced Reaction Mechanism for Diesel/2,5-Dimethylfuran Engine Application by Song Li, Wenbin Yu, Chen Yang, Mingrui Wei, Jinping Liu

“…However, it has rarely been studied in previous research on the chemical kinetics of DMF for engine combustion simulations. …”
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Influence of the Steam Addition on Premixed Methane Air Combustion at Atmospheric Pressure by Mao Li, Yiheng Tong, Marcus Thern, Jens Klingmann

“…Time-averaged CH chemiluminescence imaging was conducted to characterize the flame location and it was further analyzed with the inverse Abel transform method. Chemical kinetics calculation was conducted to support and analyze the experimental results. …”
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Increase of solubility and transmembrane permeability of niclosamide from its mechanochemically synthesized solid dispersions by Elizaveta S. Meteleva, Elizaveta A. Roenko, Nikolay E. Polyakov

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An Aspen Plus Kinetic Model for the Gasification of Biomass in a Downdraft Gasifier by Elena Catalanotti, Richard T.J. Porter, Haroun Mahgerefteh

“…The model is organised according to the assumption that in a downdraft gasifier pyrolysis, oxidation and reduction occur almost as separate consecutive processes, with the pyrolysis considered as an instantaneously occurring process while oxidation and reduction are governed by chemical kinetics. The model has been validated against experimental data for different conditions of ER ranging from 0.2 to 0.35. …”
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Superoxide Radical Formed on the TiO₂ Surface Produced from Ti(OiPr)₄ Exposed to H₂O₂/KOH by Rimma I. Samoilova, Sergei A. Dikanov

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Numerical Characterization of Corona Spark Plugs and Its Effects on Radicals Production by Giorgio La Civita, Francesco Orlandi, Valerio Mariani, Giulio Cazzoli, Emanuele Ghedini

“…Then the Boltzmann equation for the electrons, in a spatially homogeneous steady-state case, is solved in order to obtain the EEDF. Finally the chemical kinetics model is employed assuming a fuel-air mixture neglecting the fuel carbon atoms due to the assumption that electron-impact dissociation reactions, which initiate the combustion, exhibit a greater reaction rate compared to those based on hydrocarbon thermal dissociation and therefore can be neglected in this work. …”
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A hybrid approach for non-linear fractional Newell-Whitehead-Segel model by L.K. Yadav, G. Agarwal, M.M. Gour, A. Akgül, Md Yushalify Misro, S.D. Purohit

“…In this article, we applied the Shehu transform decomposition method (STDM) to obtain the approximate solution of the nonlinear fractional Newell-Whitehead-Segel equation that arises in various physical phenomena, such as fluid mechanics, solid-state physics, optics, plasma physics, dispersion, and chemical kinetics. The fractional NWS model is associated with the temperature and thermal convection of fluid dynamics, aiding in describing the formulation process on liquid surfaces restricted along a horizontally well-conducting boundary. …”
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Physicochemical mechanisms of aggregation and fibril formation of α-synuclein and apolipoprotein A-I by Takashi Ohgita, Hiroki Kono, Norihiro Namba, Hiroyuki Saito

“…The resultant F-W rate constants for nucleation and fibril formation provide information on the chemical kinetics of fibril formation. Using the F-W two-step model analysis, we investigated the physicochemical mechanisms of fibril formation of a Parkinson’s disease protein α-synuclein (αS) and a systemic amyloidosis protein apolipoprotein A-I (apoA-I). …”
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