Investigation of thermal performance in dual‐fuel units by Xiaochun Xue, Yonggang Yu

“…The process was modeled using the Navier–Stokes equations with chemical kinetics and interior ballistic equations. The results show that the muzzle phenomena with large temperature gradients and different wave structures appear after the supersonic vehicle enters into the free‐flight stage. …”
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The GARD Prebiotic Reproduction Model Described in Order and Complexity by Christian Mayer, Doron Lancet, Omer Markovitch

“…Early steps in the origin of life were necessarily connected to the unlikely formation of self-reproducing structures from chaotic chemistry. Simulations of chemical kinetics based on the graded autocatalysis replication domain (GARD) model demonstrate the ability of a micellar system to become self-reproducing units away from equilibrium. …”
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Calculation and analysis of the flamelet library for numerical modelling of the non-premixed combustion of natural gas in a pilot burner by Krasinsky Denis

“…With the use of chemical kinetics mechanism for natural gas (62 species, 398 reactions) the flamelet library has been generated, from its analysis the flame quenching has been determined at the scalar dissipation rate limit of 42 (1/s). …”
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Combining formal methods and Bayesian approach for inferring discrete-state stochastic models from steady-state data. by Julia Klein, Huy Phung, Matej Hajnal, David Šafránek, Tatjana Petrov

“…Stochastic population models are widely used to model phenomena in different areas such as cyber-physical systems, chemical kinetics, collective animal behaviour, and beyond. …”
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Protobiotic Systems Chemistry Analyzed by Molecular Dynamics by Amit Kahana, Doron Lancet

“…One such model is the graded autocatalysis replication domain (GARD) formalism embodied in a lipid world scenario, which offers rigorous computer simulation based on defined chemical kinetics equations. GARD suggests that the first pre-RNA life-like entities could have been homeostatically-growing assemblies of amphiphiles, undergoing compositional replication and mutations, as well as rudimentary selection and evolution. …”
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Scalability strategies for automated reaction mechanism generation by Jocher, Agnes, Vandewiele, Nick, Han, Kehang, Liu, Mengjie, Gao, Connie Wu, Gillis, Ryan J., Green Jr, William H

“…The improvements create new opportunities for the detailed modeling of diverse real-world processes.Keywords: Chemical kinetics; Mechanism generation; Scalability; Parallel computing…”
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Automated chemical resonance generation and structure filtration for kinetic modeling by Grinberg Dana, Alon, Liu, Mengjie, Green, William H.

“…Determining the representative reactive structures of chemical species is crucial for identification of reactive sites and consequently applying the correct reaction templates to generate the set of important reactions during automated chemical kinetic model generation. We describe a fundamental set of resonance pathway types, accounting for simple resonating structures, as well as global approaches for polycyclic aromatic species. …”
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Development of a laminar burning velocity empirical correlation forcombustion of iso-octane/ethanol blends in air by Sekularac, N, Fang, XH, Shankar, V, Baker, SJ, Leach, FCP, Davy, MH

“…The “Oxford” correlation is first validated for neat iso-octane and ethanol combustion against the outputs of three different chemical kinetics mechanisms and experimental data from the literature. …”

Radiation chemistry comes before radiation biology. by O'Neill, P, Wardman, P

“…Second, its central pillar of chemical kinetics aids understanding of the roles of 'reactive oxygen species' in cell signalling and diverse biological effects more generally, and application of radiation chemistry in the development of drugs to enhance radiotherapy and as hypoxia-specific cytotoxins or diagnostic agents. …”

Self-assembly in mechanical systems by Kwiecinski, J

“…We initially study the self-assembly of a filament, taken as a proxy for the cross-section of a biomembrane, which is primarily driven by the chemical kinetics of attaching proteins and find that, under certain mechanical stiffness regimes of the attaching proteins, pattern formation occurs. …”

Flow and heat transfer analysis on spiral counter flow heat recirculating burner by Othman, Muhammad Firdaus

“…In order to establish a performance characterization of spiral counter flow heat recirculating burner, an understanding of the chemical kinetics, heat transfer and flow dynamics aspects of the combustor needs to be developed. …”
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Development of an Extractive Reactor Block in the Aspen Plus Simulator by Ngu Ming, Tiong

“…The introduction of an in situ separation function within the reaction zone leads to complex interactions between liquid-liquid equilibrium, liquid-liquid mass transfer, intra-catalyst diffusion (for homogeneously catalysed processes) and chemical kinetics. The advantages of such alternatives is the use of simultaneous extraction and reaction to improve the yields and/or selectivity to the products, and also that they require smaller recycle flows. …”
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Evidence of Volatility Metals and Metalloids at Environment Conditions by Svetlana B. Bortnikova, Nataliya V. Yurkevich, Sergey S. Volynkin, Aleksander S. Kozlov, Alexey L. Makas

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Periodic Variations of an Autowave Structure in Two-dimensional System of Parabolic Equations by Alina A. Melnikova, Natalia N. Deryugina

“…The scope of the system includes the description of autowave solutions in the field of ecology, biophysics, combustion physics and chemical kinetics. The approximate solution allows us to choose the model parameters so that the result corresponds to the processes observed, to explain and describe the characteristics of the solutions with sharp gradients, to create models with stable solutions and thereby to simplify the numerical analysis. …”
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Rubber Material-Model Characterization for Coupled Thermo-Mechanical Vulcanization Foaming Processes by Noelia Alcalá, Mariana Castrillón, Ismael Viejo, Salvador Izquierdo, Leticia A. Gracia

“…The material model developed reproduces with enough accuracy the coupling of chemical kinetics of vulcanization and foaming reactions. …”
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Modeling the Succinic Acid Bioprocess: A Review by Itziar A. Escanciano, Mateusz Wojtusik, Jesús Esteban, Miguel Ladero, Victoria E. Santos

“…This review includes a detailed description of the phenomena involved in the bioprocesses and how they reflect on the most important and recent models based on macroscopic and metabolic chemical kinetics, and in some cases even coupling mass transport.…”
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Oxygen-Sensitive Photo- and Radioluminescent Polyurethane Nanoparticles Modified with Octahedral Iodide Tungsten Clusters by Vyacheslav A. Bardin, Yuri A. Vorotnikov, Dmitri V. Stass, Natalya A. Vorotnikova, Michael A. Shestopalov

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Metoprolol and Its Degradation and Transformation Products Using AOPs—Assessment of Aquatic Ecotoxicity Using QSAR by Melanie Voigt, Indra Bartels, Dorothee Schmiemann, Lars Votel, Kerstin Hoffmann-Jacobsen, Martin Jaeger

“…Degradation was analyzed using chemical kinetics both for initial and secondary products. …”
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Advanced Fitting Method for the Kinetic Analysis of Thermogravimetric Data by Ivan Bondarchuk, Sergey Bondarchuk, Alexander Vorozhtsov, Alexander Zhukov

“…The article considered the solution of the inverse problem of chemical kinetics of the analysis of experimental data of a thermogravimetric experiment at a constant sample heating rate. …”
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Development of Solutions for Increasing the Combustion Efficiency of Hydrogen in Water Vapor in a Hydrogen-Oxygen Steam Superheater by Andrey Rogalev, Nikolay Rogalev, Daria Kharlamova, Ivan Shcherbatov, Timofey Karev

“…The mechanism of chemical kinetics was selected for further modeling in a three-dimensional setting, and tasks for the formulation of requirements and methods for the design of efficient hydrogen combustion chambers were set up for 500 MW gas turbine plants at a supercritical pressure of 20 MPa or higher.…”
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