Methane is an important fuel for gas turbine and gas engine combustion, and the most common fuel in fundamental combustion studies. As Computational Fluid Dynamics (CFD) modeling of combustion becomes increasingly important, so do chemical kinetic me...
For spark ignition and compression ignition ammonia engines, a typical approach to ensure stable operation involves the blending of ammonia with hydrogen and diesel, respectively. For the ammonia/hydrogen fuel, in this study a comprehensive compariso...
As a clean alternative fuel oil for marine engines, methanol has received increasing attention, but its low cetane number requires diesel ignition, which increases the difficulty of retrofitting existing engine fuel injection systems. Polymethoxy dim...
New patterns of steady-state chemical kinetics for continuously stirred-tank reactors (CSTR) have been found, i.e., intersections, maxima and coincidences, for two-step mechanism A↔B→C. There were found elegant analytical relationships for characteri...
Reduced chemical kinetic mechanisms are essential for enabling the use of complex fuels in 3D CFD combustion simulations. This study presents the development and optimization of a compact mechanism capable of accurately modeling ethanol–gasolin...
The chemical vapour deposition (CVD) technique could be used to fabricate a silicon carbide (SiC) epitaxial layer. Methyltrichlorosilane (CH3SiCl3, MTS) is widely used as a precursor for CVD of SiC with a wide range of allowable deposition temperatur...
The reasonably accurate numerical simulation of methane–air combustion is important for engineering purposes. In the present work, the validations of sub-models were carried out on a laboratory-scale turbulent jet flame, Sandia Flame D, in comparison...
The growing demand for accurate and computationally efficient combustion mechanisms for simulations has driven significant advances in chemical kinetic mechanism reduction for multicomponent fuels. This review systematically examines the evolution of...
This study investigated the effects of H2 and CH4 concentrations on the ignition delay time and laminar flame speed during the combustion of CH4/H2 and multicomponent syngas mixtures using a novel constructed reduced syngas chemical kinetics mechanis...
In order to study the microscopic reaction mechanism and kinetic model of Al/PTFE, a reactive force field (ReaxFF) was used to simulate the interface model of the Al/PTFE system with different oxide layer thicknesses (0 Å, 5 Å, 10 Å...
RP-3 is the most widely used aviation kerosene in China. Studying its chemical kinetic model is of great significance for analyzing its combustion characteristics and emissions. This paper proposes a new five-component RP-3 surrogate fuel mixture mod...
The application of jet fuel in gas turbines and diesel engines adheres to the Army’s single-fuel forward policy, streamlining supply chains. To ensure precise engine combustion numerical studies, surrogate fuels and mechanisms should faithfully...
To identify promising sustainable fuels, e.g., to select novel synthetic fuels with the greatest impact on minimizing global warming, new methods for rapid and economical technical fuel assessment are urgently needed. Here, numerical models that are...
In order to reveal the deflagration mechanism of DME/H2-blended gasses, the micro-mechanism was studied based on the constructed UC San Diego 2016 pyrolysis oxidation mechanism model. The results show that adiabatic flame temperature and laminar flam...
Ammonia is considered as a promising hydrogen carrier and a carbon-free fuel. Methods for improving ammonia combustion characteristics often involve its co-firing with more reactive fuels (natural gas, biofuels, etc.). Among the natural gas component...
The chemical kinetics mechanism is an important factor to accurately predict the combustion characteristics of constant-volume bomb (CVB). In this study, an n-heptane oxidation mechanism constructed by Wang et al. is introduced to study the correlati...
Chemical recycling of polyurethanes can be realized in several different ways, but the most important methods are glycolysis and glycerolysis. Both methods permit recovery of polyols (when the process is realized with the mass excess of depolymerizin...
Chemical vapor deposition (CVD) is a process that a solid is formed on a substrate by the chemical reaction in the vapor phase. Employing this technology, a wide range of materials, including ceramic nanocomposite coatings, dielectrics, and single cr...
Accurate prediction of nitrogen oxide emissions from marine medium-speed four-stroke diesel engines is crucial for meeting increasingly stringent environmental standards. This paper focuses on the evaluation and selection of the optimal rate constant...
The utilization of low- and zero-carbon fuels in internal combustion engines is gaining increasing interest. In marine engine applications, the co-combustion of methane and ammonia has emerged as a promising strategy for reducing carbon emissions. In...
A kinetic model was developed for the prediction of HTL product yields based on a chemical mechanism. The model was developed after experimental studies on food wastes and food processing wastes. The model parameters were determined by training the m...
To better understand chalcopyrite leach mechanisms and kinetics, for improved Cu extraction during hydrometallurgical processing, chalcopyrite leaching has been conducted at solution redox potential 750 mV, 35–75 °C, and pH 1.0 with and without aqueo...
Polycyclic aromatic hydrocarbons (PAHs) represent a major class of ubiquitous environmental pollutants, posing significant risks to ecosystems and human health due to their persistence, toxicity, and potential for bioaccumulation. This review provide...
Chemical kinetics mechanisms describing Fatty Acid Methyl Ester (FAME) biofuel combustion are quite extensive and cannot be implemented in Computational Fluid Dynamics simulations of real engine systems. Using the reduction methodology Ant Colony Red...
Although known since antiquity, mechanochemistry has remained dormant for centuries. Nowadays, mechanochemistry is a flourishing research field at the simultaneous stages of gathering data and (often astonishing) observations, and scientific argument...
Development and validation of a new reduced dimethyl ether-air (DME) reaction mechanism is presented. The mechanism was developed using a modular approach that has previously been applied to several alkane and alkene fuels, and the present work pione...
Understanding and controlling the combustion of clean and efficient fuel blends, like methane + hydrogen, is essential for optimizing energy production processes and minimizing environmental impacts. To extend the available experimental database on C...
The common geometrical (symplectic) structures of classical mechanics, quantum mechanics, and classical thermodynamics are unveiled with three pictures. These cardinal theories, mainly at the non-relativistic approximation, are the cornerstones for s...
In this study, four types of waste bamboo fibers (BFs), Makino bamboo (Phyllostachys makinoi), Moso bamboo (Phyllostachys pubescens), Ma bamboo (Dendrocalamus latiflorus), and Thorny bamboo (Bambusa stenostachya), were used as reinforcements and inco...
Methylcyclohexane (MCH, C7H14) is a typical component in hydrocarbon fuels and is frequently utilized in surrogate fuel mixtures as a typical representative of alkylated cycloalkanes. However, comprehensive experimental studies on speciation during i...
We investigated the kinetics, mechanism and secondary organic aerosols formation of the ozonolysis of trans-2-pentenal (T2P) using four different reactors with Fourier Transform InfraRed (FTIR) spectroscopy and Gas Chromatography (GC) techniques at T...
In January 2014, over 10,000 gallons of methyl-cyclohexane methanol (MCHM) leaked into the Elk River in West Virginia, in a chemical spill incident that contaminated a large portion of the state’s water supply and left over 300,000 residents without...
The detailed mechanisms of n-heptane and n-butanol were reduced for the target condition of ignition delay time using the direct relationship diagram method based on error transfer, the direct relationship diagram method based on coupling error trans...
The use of natural gas in pure or in a blended form with hydrogen and syngas in spark ignition (SI) engines has received much attention in recent years. They have higher diffusion coefficient and laminar flame speed, a small quenching distance and wi...
Polychlorinated phenoxathiins (PCPTs), polychlorinated dibenzothiophenes (PCDTs), and polychlorinated thianthrenes (PCTAs) are sulfur analogues of polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans (PCDD/DFs). Chlorothiophenols (CTPs...
A system-level study of a NOx abatement process by means of non-thermal plasma (NTP) generated with dielectric barrier discharges (DBDs) is the framework of this article. With the goal of system improvement, the kinetic reaction simulation software Z...
We have structure, a wealth of kinetic data, thousands of chemical ligands and clinical information for the effects of a range of drugs on monoamine oxidase activity in vivo. We have comparative information from various species and mutations on kinet...
Ultraviolet-induced photodissociation and photo-isomerization of the three most stable conformers (SSC, GAC, and AAT) of glycolic acid are investigated in a low-temperature solid argon matrix using FTIR spectroscopy and employing laser radiation with...
In this paper, we analyzed the mass transfer model with chemical reactions during the absorption of carbon dioxide (CO
The uniformity of the wafer in a chemical mechanical polishing (CMP) process is vital to the ultra-fine and high integration of semiconductor structures. In particular, the uniformity of the polishing pad corresponding to the tool directly affects th...
2-Bromo-3,3,3-trifluoropropene (2-BTP, CF3CBr=CH2) is a promising halogenated flame suppressant, but its effects on flame propagation depend strongly on the coupled bromine and hydrocarbon chemistry. In this study, an updated kinetic mechanism was de...
Methanol is a promising low-carbon fuel for large marine engines, but reliable simulation of methanol–diesel combustion depends on selecting diesel-surrogate chemistry that remains credible for both ignition and emissions. Four diesel-surrogate...
Fischer–Tropsch (F–T) fuel, synthesized from coal-to-liquid (CTL), is an alternative fuel with clean and efficient characteristics. In this study, a surrogate fuel model was developed, including n-dodecane (n-C12H26) and iso-octane (i-C8H...
The Atmosphere Special Issue “Atmospheric Aqueous-Phase Chemistry” comprises ten original articles dealing with different aspects of chemistry in atmospheric liquid water. [...]
We present a combined experimental and modeling study of premixed atmospheric-pressure tetralin flames. Chemical speciation in near-stoichiometric (φ = 0.8–1.0) tetralin/O2/Ar flames was characterized by probe-sampling molecular-beam mass s...
A hydrogel is a polymeric three-dimensional network structure. The applications of this material type are diversified over a broad range of fields. Their soft nature and similarity to natural tissue allows for their use in tissue engineering, medical...
ThermoBounce is an interactive online visualization designed to help students understand how enthalpy, entropy, and temperature contribute to the reaction rate and equilibrium of a unimolecular chemical change between reactant and product states, for...
This study is focused on the detailed examination of the combustion properties and kinetic analysis of a cellulose acetate fibrous bundle (CAFB), separated from used cigarette filters. It was shown that the faster rate of CAFB heating allows a large...
Based on the directed relation graph with error propagation (DRGEP) reduction method, a detailed mechanism consisting of 119 species and 527 reactions for n-decane was simplified. As a result, a skeletal mechanism comprising 32 species and 73 reactio...
This paper focuses on differentiating between ideal and non-ideal chemical systems based on their kinetic behavior within a closed isothermal chemical environment. Non-ideality is examined using the non-ideal Marcelin–de Donde model. The analys...
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