Kinetics and mechanism of tertiary amine-catalyzed cleavage of N `-morpholino-N-(2 `-methoxyphenyl)phthalamide: Kinetic evidence for the presence of a reactive intermediate on the... by Sim, Yoke-Leng., Khan, M.N.

Pyrolysis Kinetics Of Biomass by Mohd Mahzan, Muhammad Imran Afifi

“…The objective of this work was to evaluate the chemical kinetics of the biomass used which was sugarcane bagasse with parameters namely heating rates and chemical additives concentration. …”
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Generation of a Hetero Spin Complex from Iron(II) Iodide with Redox Active Acenaphthene-1,2-Diimine by Dmitriy S. Yambulatov, Stanislav A. Nikolaevskii, Mikhail A. Kiskin, Kirill V. Kholin, Mikhail N. Khrizanforov, Yulia G. Budnikova, Konstantin A. Babeshkin, Nikolay N. Efimov, Alexander S. Goloveshkin, Vladimir K. Imshennik, Yurii V. Maksimov, Evgeny M. Kadilenko, Nina P. Gritsan, Igor L. Eremenko

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Temperature- and Pressure-Dependent Kinetics of CH2OO + CH3COCH3 and CH2OO + CH3CHO: Direct Measurements and Theoretical Analysis by Elsamra, Rehab Mohamed Ibrahim, Jalan, Amrit, Buras, Zachary, Middaugh, Joshua Eugene, Green, William H

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Chemistry and chemical reactivity / by 418917 Kotz, John C., Treichel, Paul, Townsend, John Raymond

“…PART ONE: THE BASIC TOOLS OF CHEMISTRY: Basic concepts of chemistry -- Let's review: the tools of quantitative chemistry -- Atoms, molecules, and ions -- Chemical reactions -- Stoichiometry: quantitative information about chemical reactions -- Principles of chemical reactivity: energy and chemical reactions -- Interchapter: The chemistry of fuels and energy resources -- PART TWO: THE STRUCTURE OF ATOMS AND MOLECULES: The structure of atoms -- The structure of atoms and periodic trends -- Interchapter: Milestones in the development of chemistry and the modern view of atoms and molecules -- Bonding and molecular structure -- Bonding and molecular structure: orbital hybridization and molecular orbitals -- Carbon: not just another element -- Interchapter: The chemistry of life: biochemistry -- PART THREE: STATES OF MATTER: Gases and their properties -- Intermolecular forces and liquids -- The chemistry of solids -- Solutions and their behavior -- Interchapter: The chemistry of modern materials -- PART FOUR: THE CONTROL OF CHEMICAL REACTIONS: Chemical kinetics: the rate of chemical reactions -- Principles of chemical reactivity: equilibria -- Principles of chemical reactivity: the chemistry of acids and bases -- Principles of chemical reactivity: other aspects of aqueous equilibria -- Principles of chemical reactivity: entropy and free energy -- Principles of chemical reactivity: electronic transfer reactions -- Interchapter: The chemistry of the environment -- PART FIVE: THE CHEMISTRY OF THE ELEMENTS AND THEIR COMPOUNDS: The chemistry of the main group elements -- The chemistry of the transition elements -- Nuclear chemistry -- APPENDICES.…”

Inverse Problems in Pump–Probe Spectroscopy by Denis S. Tikhonov, Diksha Garg, Melanie Schnell

“…Extracting valuable information from these studies, such as reactive intermediates’ lifetimes and coherent oscillation frequencies, is an example of the inverse problems of chemical kinetics. This article describes a consistent approach for solving this inverse problem that avoids the common obstacles of simple least-squares fitting that can lead to unreliable results. …”
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Thermal Analysis of a Reactive Variable Viscosity TiO₂-PAO Nanolubricant in a Microchannel Poiseuille Flow by Oluwole Daniel Makinde, Anuoluwa Esther Makinde

“…It is found that the Nusselt number and thermal stability of the flow process improve with exothermic chemical kinetics, Biot number, and nanoparticles volume fraction but lessen with a rise in viscous dissipation and activation energy.…”
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Absence and Blow-Up of Solutions to Singular Perturbation Problems in the Case of Exchange of Stabilities by M. A. Terentyev

“…Such problems often occur as models in chemical kinetics. There are lots of works that establish the existence and asymptotic behavior of solutions to such problems. …”
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Scientific foundations of development and low-cost reconstruction of coal steam generators for vortex combustion technology by Vladimir Salomatov

“…The study of turbulent aerodynamics of the vortex furnaces with the use of physical and mathematical models made it possible to determine their main dimension and assembling relations, and simulation of radiant heat transfer, fuel combustion, and chemical kinetics of toxic emission formation was the basic information for determining their energy and ecological parameters. …”
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The Role of Stochastic Models in Interpreting the Origins of Biological Chirality by Gábor Lente

“…In these stochastic models, a particulate view of matter is used rather than the concentration-based view of traditional chemical kinetics using continuous functions to describe the properties system. …”
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Two-Dimensional Lattice Boltzmann for Reactive Rayleigh–Bénard and Bénard–Poiseuille Regimes by Suemi Rodríguez-Romo, Oscar Ibañez-Orozco

“…The results presented here (with no chemical reactions) are in good agreement with those reported in the scientific literature which gives us high expectations about the reliability of the chemical kinetics simulation. Some examples are provided.…”
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Understanding Passive Membrane Permeation of Peptides: Physical Models and Sampling Methods Compared by Liuba Mazzanti, Tâp Ha-Duong

“…In this perspective, we conducted here a computational study for estimating the permeability coefficient of a benchmark peptide by considering and comparing two different physical models: on the one hand, the inhomogeneous solubility–diffusion model, which requires umbrella–sampling simulations, and on the other hand, a chemical kinetics model which necessitates multiple unconstrained simulations. …”
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Modeling and simulation of hydrogenation process of NaAlH4 by Vuyo T. Hashe, Tien-Chien Jen

“…Because of its high-coupling thermal transfer, mass transfer, and chemical kinetics, metal hydride systems offer many possibilities. …”
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Time evolution of a small reactive system by J.P. Badiali

“…We have two main goals: the first requires to find an equation to produce a time-irreversible behavior,the second consists in introducing a simple exactly solvable model in order to understand basic facts in chemical kinetics. Our basic tool is the transition function counting the number of paths joining two points in the reactive coordinates system. …”
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Universal relation between thermodynamic driving force and one-way fluxes in a nonequilibrium chemical reaction with complex mechanism by Yongli Peng, Hong Qian, Daniel A. Beard, Hao Ge

“…This work provides a concrete mathematical/physical basis for a long-hold belief in chemical kinetics. It gives an equivalent definition of the free energy difference in nonequilibrium chemical reaction networks and unifies the stochastic and macroscopic nonequilibrium chemical thermodynamics in a very broad setting.…”
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Prediction of Pyrolysis Gas Composition Based on the Gibbs Equation and TGA Analysis by Izabela Wardach-Świȩcicka, Dariusz Kardaś

“…Conventional methods used to determine pyrolysis gas composition are based on chemical kinetics. The mechanism of those reactions is often unknown, which makes the calculations more difficult. …”
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Simulation of methanol production from residual biomasses in a Cu/ZnO/Al2O3 packed bed reactor by Carlos Esteban Aristizabal Alzate, Pedro Nel Alvarado Torres, Andrés Felipe Vargas Ramírez

“… This article aims to simulate an algorithm constructed in MATLAB to represent the catalytic conversion of SYNGAS into methanol in a packed-bed reactor, based on chemical kinetics for a heterogeneous system with a Cu/ZnO/Al2O3 as a catalyst, and complementary math and phenomenological models, as a pressure drop and catalyst deactivation. …”
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Counting molecules in nano test tubes: a method for determining the activation parameters of thermally driven reactions through direct imaging by Fung, KLY, Skowron, ST, Allen, CS, Khlobystov, AN

“…This experimental methodology provides a link between reactions at the single-molecule level and macroscopic chemical kinetics parameters, through filming the chemical reaction in direct space.…”

Spectroscopic study of CO formation from CO2-enriched pyrolysis of C2H6 and C3H8 under engine-relevant conditions by C. Rudolph, C.M. Grégoire, S.P. Cooper, S.A. Alturaifi, O. Mathieu, E.L. Petersen, B. Atakan

“…It was reported that all tested models need improvement, underlining the limitation of chemical kinetics mechanisms and validation data at untypical conditions.…”
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Effects of Spiro-Cyclohexane Substitution of Nitroxyl Biradicals on Dynamic Nuclear Polarization by Nargiz B. Asanbaeva, Larisa Yu. Gurskaya, Yuliya F. Polienko, Tatyana V. Rybalova, Maxim S. Kazantsev, Alexey A. Dmitriev, Nina P. Gritsan, Nadia Haro-Mares, Torsten Gutmann, Gerd Buntkowsky, Evgeny V. Tretyakov, Elena G. Bagryanskaya

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