Relevant bibliographies by topics / Detailed Elementary Chemical Kinetics

Contents

  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers
  6. Reports

Academic literature on the topic 'Detailed Elementary Chemical Kinetics'

Author: Grafiati
Published: 4 June 2021
Last updated: 13 February 2022

Create a spot-on reference in APA, MLA, Chicago, Harvard, and other styles

Select a source type:

Consult the lists of relevant articles, books, theses, conference reports, and other scholarly sources on the topic 'Detailed Elementary Chemical Kinetics.'

Next to every source in the list of references, there is an 'Add to bibliography' button. Press on it, and we will generate automatically the bibliographic reference to the chosen work in the citation style you need: APA, MLA, Harvard, Chicago, Vancouver, etc.

You can also download the full text of the academic publication as pdf and read online its abstract whenever available in the metadata.

Journal articles on the topic "Detailed Elementary Chemical Kinetics"

1

Poon, Hiew Mun, Hoon Kiat Ng, Su Yin Gan, Kar Mun Pang, and Jesper Schramm. "Chemical Kinetic Mechanism Reduction Scheme for Diesel Fuel Surrogate." Applied Mechanics and Materials 541-542 (March 2014): 1006–10. http://dx.doi.org/10.4028/www.scientific.net/amm.541-542.1006.

Full text
Abstract:
In this study, performance of the DRG-based chemical kinetic mechanism reduction techniques was evaluated using a diesel fuel surrogate model, which is the n-hexadecane mechanism. Following that, a new mechanism reduction scheme was developed to generate a reduced mechanism which is suitable to be applied in diesel engine applications.As a result, areduced mechanism with 49 species and 97 elementary reactions was successfully derived from the detailed mechanismwithan overall 97% reduction in species number and computational runtime in zero-dimensional closed homogeneous batch reactor simulatio
APA, Harvard, Vancouver, ISO, and other styles
2

Mirkes, Evgeny M. "Universal Gorban’s Entropies: Geometric Case Study." Entropy 22, no. 3 (2020): 264. http://dx.doi.org/10.3390/e22030264.

Full text
Abstract:
Recently, A.N. Gorban presented a rich family of universal Lyapunov functions for any linear or non-linear reaction network with detailed or complex balance. Two main elements of the construction algorithm are partial equilibria of reactions and convex envelopes of families of functions. These new functions aimed to resolve “the mystery” about the difference between the rich family of Lyapunov functions (f-divergences) for linear kinetics and a limited collection of Lyapunov functions for non-linear networks in thermodynamic conditions. The lack of examples did not allow to evaluate the differ
APA, Harvard, Vancouver, ISO, and other styles
3

Yao, M., J. Qin, and Z. Zheng. "Numerical study of the combustion mechanism of a homogeneous charge compression ignition engine fuelled with dimethyl ether and methane, with a detailed kinetics model." Proceedings of the Institution of Mechanical Engineers, Part D: Journal of Automobile Engineering 219, no. 10 (2005): 1213–23. http://dx.doi.org/10.1243/095440705x34810.

Full text
Abstract:
The auto-ignition and combustion mechanisms of dimethyl ether (DME) in a fourstroke homogeneous charge compression ignition (HCCI) engine were investigated using a zero-dimensional thermodynamic model coupled with a detailed chemical kinetics model. The results indicate that DME displays two-stage auto-ignition, and heat release with a low-temperature reaction and a high-temperature reaction (HTR). Heat release with the HTR can be separated into two stages: blue flame and hot flame. HCCI ignition is controlled by hydrogen peroxide (H2O2) decomposition, and OH plays a very important role in HCC
APA, Harvard, Vancouver, ISO, and other styles
4

Reiser, D., A. von Keudell, and T. Urbanietz. "Determining Chemical Reaction Systems in Plasma-Assisted Conversion of Methane Using Genetic Algorithms." Plasma Chemistry and Plasma Processing 41, no. 3 (2021): 793–813. http://dx.doi.org/10.1007/s11090-021-10159-6.

Full text
Abstract:
AbstractEven for processes with only a few gas species involved the detailed description of plasma-assisted conversion processes in gas mixtures requires a large amount of processes to be taken into account and a large number of neutral and charged particles must be considered. In addition, setting up the corresponding reaction kinetics model needs the knowledge of the rate coefficients and their temperature dependence for all possible reactions between those species. Reduced reaction networks offer a simplified and pragmatic way to obtain an overall reaction kinetics model, already useful for
APA, Harvard, Vancouver, ISO, and other styles
5

Muharam, Yuswan. "Detailed kinetic model of oxidation and combustion of n-heptane using an automatic generation of mechanisms." Jurnal Teknik Kimia Indonesia 5, no. 1 (2018): 392. http://dx.doi.org/10.5614/jtki.2006.5.1.8.

Full text
Abstract:
There is continued interest in developing a better understanding of the oxidation and combustion of large hydrocarbons, which are good representative for practical fuels used in automotive engines for a wide range of operating conditions. This interest is motivated by the need to improve the efficiency and performance of currently operating combustion systems, the fuel economy, and the need to reduce pollutant emission. Normal-heptane is one of these hydrocarbons. In this work a detailed chemical kinetic model for the oxidation and combustion of n-heptane has been automatically developed using
APA, Harvard, Vancouver, ISO, and other styles
6

Motagamwala, Ali Hussain, and James A. Dumesic. "Analysis of reaction schemes using maximum rates of constituent steps." Proceedings of the National Academy of Sciences 113, no. 21 (2016): E2879—E2888. http://dx.doi.org/10.1073/pnas.1605742113.

Full text
Abstract:
We show that the steady-state kinetics of a chemical reaction can be analyzed analytically in terms of proposed reaction schemes composed of series of steps with stoichiometric numbers equal to unity by calculating the maximum rates of the constituent steps, rmax,i, assuming that all of the remaining steps are quasi-equilibrated. Analytical expressions can be derived in terms of rmax,i to calculate degrees of rate control for each step to determine the extent to which each step controls the rate of the overall stoichiometric reaction. The values of rmax,i can be used to predict the rate of the
APA, Harvard, Vancouver, ISO, and other styles
7

Zhou, Dan Dan, Chong Jiu Li, Ran Zhao, and Dong Sheng Xia. "Chemical Kinetic Research on Flame Characteristics of Ethylene under High CO2 Concentration Atmosphere." Advanced Materials Research 1070-1072 (December 2014): 512–16. http://dx.doi.org/10.4028/www.scientific.net/amr.1070-1072.512.

Full text
Abstract:
A numerical study was conducted to understand the flame characteristics of ethylene under O2/CO2 atmosphere by detailed chemical kinetic models. Special interest is focused on the effects of CO2 on flame propagation velocity and ignition delay. A modified reaction mechanism was established, and the ability of the reaction scheme was evaluated through comparison with well-defined laboratory data in the literature. A key result of the study is that the flame temperature and flame speed are significantly reduced because of the chemical and thermal effects of CO2. The most important reactions as w
APA, Harvard, Vancouver, ISO, and other styles
8

Wolfrum, J. "Laser Stimulation and Observation of Simple Gas Phase Radical Reactions." Laser Chemistry 9, no. 1-3 (1988): 171–93. http://dx.doi.org/10.1155/lc.9.171.

Full text
Abstract:
Experiments on the effect of Selective vibrational, translational and orientations excitation of reactants in bimolecular reactions can give important insights into the microscopic dynamics of elementary chemical reactions. The information obtained in such experiments can be compared with the results of theoretical calculations of the reaction dynamics based on ab initio potential energy surfaces and is also of basic interest to improve the kinetic data used in detailed chemical kinetic modelling.Rotational and vibrational energy transfer between H2 and H0 has been studied directly using Raman
APA, Harvard, Vancouver, ISO, and other styles
9

Chen, Meng, Zhao Chen, Yaping Tang, and Malin Liu. "CFD-DEM simulation of particle coating process coupled with chemical reaction flow model." International Journal of Chemical Reactor Engineering 19, no. 4 (2021): 393–413. http://dx.doi.org/10.1515/ijcre-2020-0241.

Full text
Abstract:
Abstract Particle coating process, one of the main methods to improve the particle properties, is widely used in industrial production and pharmaceutical industry. For the scale up and optimization of this process, a mechanistic and detailed study is needed or numerical simulation as an alternative way. Decomposition of substances usually involves multiple chemical reactions and produces multiple substances in the actual chemical reaction. In the study, a chemical reaction flow (CRF) model has been established based on kinetic mechanism of elementary reaction, the theory of molecular thermodyn
APA, Harvard, Vancouver, ISO, and other styles
10

Bratos, S., M. Wulff, J. Cl Leicknam, and Q. Kong. "Ultrafast chemical kinetics: Elementary chemical act." Chemical Physics Letters 619 (January 2015): 88–91. http://dx.doi.org/10.1016/j.cplett.2014.11.055.

Full text
APA, Harvard, Vancouver, ISO, and other styles

Dissertations / Theses on the topic "Detailed Elementary Chemical Kinetics"

1

松山, 竜佐, Ryusuke MATSUYAMA, 博史 山下, Hiroshi YAMASHITA, 和弘 山本 та Kazuhiro YAMAMOTO. "メタン・空気予混合気の着火特性に関する詳細素反応機構を考慮した数値解析". 日本機械学会, 2006. http://hdl.handle.net/2237/9364.

Full text
APA, Harvard, Vancouver, ISO, and other styles
2

Markaki, Valentini. "Detailed and simplified chemical kinetics of aviation fuels and surrogates." Thesis, Imperial College London, 2009. http://hdl.handle.net/10044/1/5655.

Full text
Abstract:
The chemistries of aviation fuels are invariably complex due to large hydrocarbon molecules. There are also large variations for a given fuel type. Furthermore, flow timescales encountered in high performance propulsion devices increasingly lead to difficulties associated with kinetically controlled or influenced phenomena such as flame stability, extinction and re-light. Current indications also suggest that fuel sources will become significantly more diverse in the future and may, for example, encompass Fischer-Tropsch and/or bio-derived components. The combustion properties of such fuels ca
APA, Harvard, Vancouver, ISO, and other styles
3

Davidson, Jeffrey E. "Combustion Modeling of RDX, HMX and GAP with Detailed Kinetics." BYU ScholarsArchive, 1996. https://scholarsarchive.byu.edu/etd/6531.

Full text
Abstract:
A one-dimensional, steady-state numerical model of the combustion of homogeneous solid propellant has been developed. The combustion processes is modeled in three regions: solid, two-phase (liquid and gas) and gas. Conservation of energy and mass equations are solved in the two-phase and gas regions and the eigenvalue of the system (the mass burning rate) is converged by matching the heat flux at the interface of these two regions. The chemical reactions of the system are modeled using a global kinetic mechanism in the two-phase region and an elementary kinetic mechanism in the gas region. The
APA, Harvard, Vancouver, ISO, and other styles
4

Pacheco, Augusto Finger. "Analysis and reduction of detailed chemical kinetics mechanisms for combustion of ethanol and air." reponame:Repositório Institucional da UFSC, 2016. https://repositorio.ufsc.br/xmlui/handle/123456789/172793.

Full text
Abstract:
Dissertação (mestrado) - Universidade Federal de Santa Catarina, Centro Tecnológico, Programa de Pós-Graduação em Engenharia Mecânica, Florianópolis, 2016.<br>Made available in DSpace on 2017-01-31T03:11:16Z (GMT). No. of bitstreams: 1 343953.pdf: 3011153 bytes, checksum: 751769c238df128576bd611ed9f3178b (MD5) Previous issue date: 2016<br>Neste trabalho, três mecanismos detalhados de cinética química para o etanol, disponíveis na literatura, foram submetidos a diferentes métodos de redução, utilizando condições encontradas na operação normal de motores de combustão interna como parâmetros de
APA, Harvard, Vancouver, ISO, and other styles
5

Yelvington, Paul E. 1977. "Design of a viable homogeneous-charge compression-ignition (HCCI) engine : a computational study with detailed chemical kinetics." Thesis, Massachusetts Institute of Technology, 2004. http://hdl.handle.net/1721.1/26747.

Full text
Abstract:
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemical Engineering, February 2005.<br>This electronic version was submitted by the student author. The certified thesis is available in the Institute Archives and Special Collections.<br>Includes bibliographical references.<br>"September 2004."<br>The homogeneous-charge compression-ignition (HCCI) engine is a novel engine technology with the potential to substantially lower emissions from automotive sources. HCCI engines use lean-premixed combustion to achieve good fuel economy and low emissions of nitrogen-oxides and particul
APA, Harvard, Vancouver, ISO, and other styles
6

Al-Saleh, Mohammad. "MODELING OLEFIN POLYMERIZATION USING MONTE CARLO SIMULATION: DETAILED COMONOMER DISTRIBUTION." Thesis, University of Waterloo, 2006. http://hdl.handle.net/10012/2863.

Full text
Abstract:
In recent years there have been many efforts to develop and expand the ability of mathematical models capable of describing polymerization systems. Models can provide a key competitive advantage for the industry and research in terms of production and technology development. As new resins are continuously produced to meet the requirement of final applications and processability, it is imperative to pursue strong polymer characterization with special attention to detailed analysis of polymer microstructure. The microstructure of polyolefin is defined by its distribution of molecular weigh
APA, Harvard, Vancouver, ISO, and other styles
7

Loyez, Marc Jason. "Free Lagrange simulations of flame/vortex interactions, including detailed finite rate chemical kinetics and heat release." Thesis, University of Southampton, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.241965.

Full text
APA, Harvard, Vancouver, ISO, and other styles
8

YAMAMOTO, Kazuhiro, Hiroshi YAMASHITA, Shin SUZUKI, 和弘 山本, 博史 山下 та 新. 鈴木. "超小型燃焼器の開発に関する詳細素反応機構を考慮した数値解析". 一般社団法人 日本機械学会, 2008. http://hdl.handle.net/2237/19799.

Full text
APA, Harvard, Vancouver, ISO, and other styles
9

YAMAMOTO, Kazuhiro, Hiroshi YAMASHITA, Yuichiro MAKITA, 和弘 山本, 博史 山下 та 雄一郎 槙田. "センターエアーバーナによる燃焼器の小型化に関する数値解析". 一般社団法人 日本機械学会, 2009. http://hdl.handle.net/2237/19807.

Full text
APA, Harvard, Vancouver, ISO, and other styles
10

Neugebohren, Jannis. "Implementing Ion Imaging to Probe Chemical Kinetics and Dynamics at Surfaces." Doctoral thesis, Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2018. http://hdl.handle.net/11858/00-1735-0000-002E-E43B-1.

Full text
APA, Harvard, Vancouver, ISO, and other styles

Books on the topic "Detailed Elementary Chemical Kinetics"

1

International Meeting of Physical Chemistry (54th 1995 Villeneuve d'Ascq, France). Fast elementary processes in chemical and biological systems: 54th International Meeting of Physical Chemistry : Villeneuve d'Ascq, France, June 1995. Edited by Tramer André and American Institute of Physics. American Institute of Physics, 1996.

Find full text
APA, Harvard, Vancouver, ISO, and other styles
2

Vladimirovich, Bogdanov Aleksandr, ed. Interaction of gases with surfaces: Detailed description of elementary processes and kinetics. Springer, 1995.

Find full text
APA, Harvard, Vancouver, ISO, and other styles
3

Cox, R. A. Kinetics and Mechanisms of Elementary Chemical Processes of Importance in Combustion. European Communities / Union (EUR-OP/OOPEC/OPOCE), 1991.

Find full text
APA, Harvard, Vancouver, ISO, and other styles
4

Kinetics and mechanisms of elementary chemical processes of importance in combustion. Riso National Laboratory, 1988.

Find full text
APA, Harvard, Vancouver, ISO, and other styles
5

Bogdanov, Alexander V., German V. Dubrovskiy, M. P. Krutikov, D. V. Kulginov, and V. M. Strelchenya. Interaction of Gases With Surfaces: Detailed Description of Elementary Processes and Kinetics (Lecture Notes in Physics New Series M). Springer, 1995.

Find full text
APA, Harvard, Vancouver, ISO, and other styles
6

Bokstein, Boris S., Mikhail I. Mendelev, and David J. Srolovitz. Thermodynamics and Kinetics in Materials Science. Oxford University Press, 2005. http://dx.doi.org/10.1093/oso/9780198528036.001.0001.

Full text
Abstract:
This text presents a concise and thorough introduction to the main concepts and practical applications of thermodynamics and kinetics in materials science. It is designed with two types of uses in mind: firstly for one or two semester university course for mid- to - upper level undergraduate or first year graduate students in a materials-science-oriented discipline and secondly for individuals who want to study the materials on their own. The following major topics are discussed: basic laws of classical and irreversible thermodynamics, phase equilibria, theory of solutions, chemical reaction t
APA, Harvard, Vancouver, ISO, and other styles
7

Banchetti-Robino, Marina Paola. The Chemical Philosophy of Robert Boyle. Oxford University Press, 2020. http://dx.doi.org/10.1093/oso/9780197502501.001.0001.

Full text
Abstract:
This book examines the way in which Robert Boyle seeks to accommodate his complex chemical philosophy within the framework of a mechanistic theory of matter. More specifically, the book proposes that Boyle regards chemical qualities as properties that emerge from the mechanistic structure of chymical atoms. Within Boyle’s chemical ontology, chymical atoms are structured concretions of particles that Boyle regards as chemically elementary entities, that is, as chemical wholes that resist experimental analysis. Although this interpretation of Boyle’s chemical philosophy has already been suggeste
APA, Harvard, Vancouver, ISO, and other styles
8

Henriksen, Niels E., and Flemming Y. Hansen. Theories of Molecular Reaction Dynamics. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198805014.001.0001.

Full text
Abstract:
This book deals with a central topic at the interface of chemistry and physics—the understanding of how the transformation of matter takes place at the atomic level. Building on the laws of physics, the book focuses on the theoretical framework for predicting the outcome of chemical reactions. The style is highly systematic with attention to basic concepts and clarity of presentation. Molecular reaction dynamics is about the detailed atomic-level description of chemical reactions. Based on quantum mechanics and statistical mechanics or, as an approximation, classical mechanics, the dynamics of
APA, Harvard, Vancouver, ISO, and other styles
9

Parr, Robert G., and Yang Weitao. Density-Functional Theory of Atoms and Molecules. Oxford University Press, 1995. http://dx.doi.org/10.1093/oso/9780195092769.001.0001.

Full text
Abstract:
This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of the concepts of electronegativity, hardness and softness, and chemical reactivity. Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented, and extensive references to the literature are included. Two introductory chapters and several appendices provide all the
APA, Harvard, Vancouver, ISO, and other styles
10

Vang, R. T., S. Wendt, and F. Besenbacher. Nanocatalysis. Edited by A. V. Narlikar and Y. Y. Fu. Oxford University Press, 2017. http://dx.doi.org/10.1093/oxfordhb/9780199533060.013.12.

Full text
Abstract:
This article discusses nanocatalysis and especially the interrelation between the structure, composition and properties of catalysts. It begins with a review of techniques that have been developed and employed for surface characterization, which can be divided intothree main areas: spectroscopy, diffraction, and microscopy. After describing the nanocharacterization tools, the article considers the theoretical underpinnings of catalysts and catalytic processes. It also examines how detailed atomic-scale insight into elementary surface processes relevant to catalysis can be obtained mainly by me
APA, Harvard, Vancouver, ISO, and other styles

Book chapters on the topic "Detailed Elementary Chemical Kinetics"

1

Vedrine, Rapporteur J. C. "Session Five, Chemical Kinetics and Chemical Engineering." In Elementary Reaction Steps in Heterogeneous Catalysis. Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-1693-0_29.

Full text
APA, Harvard, Vancouver, ISO, and other styles
2

Liberman, Michael A. "Unsteady Combustion Processes Controlled by Detailed Chemical Kinetics." In Notes on Numerical Fluid Mechanics and Multidisciplinary Design. Springer International Publishing, 2015. http://dx.doi.org/10.1007/978-3-319-11967-0_20.

Full text
APA, Harvard, Vancouver, ISO, and other styles
3

Morokuma, Keiji, Koichi Yamashita, and Satoshi Yabushita. "Potential Energy Surfaces of Several Elementary Chemical Reactions." In Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules. Springer Netherlands, 1989. http://dx.doi.org/10.1007/978-94-009-0945-8_3.

Full text
APA, Harvard, Vancouver, ISO, and other styles
4

Krishtalik, L. I. "Mechanism of an Elementary Act and the Kinetics of the Cathodic Evolution of Hydrogen." In Charge Transfer Reactions in Electrochemical and Chemical Processes. Springer US, 1986. http://dx.doi.org/10.1007/978-1-4684-8718-3_6.

Full text
APA, Harvard, Vancouver, ISO, and other styles
5

Lopato, Alexander I. "Some Aspects on Pulsating Detonation Wave Numerical Simulation Using Detailed Chemical Kinetics Mechanism." In Applied Mathematics and Computational Mechanics for Smart Applications. Springer Singapore, 2021. http://dx.doi.org/10.1007/978-981-33-4826-4_8.

Full text
APA, Harvard, Vancouver, ISO, and other styles
6

Lindstedt, R. P., and V. Sakthitharan. "Parallel Processing and Direct Simulation of Transient Premixed Laminar Flames with Detailed Chemical Kinetics." In High-Performance Computing. Springer US, 1999. http://dx.doi.org/10.1007/978-1-4615-4873-7_45.

Full text
APA, Harvard, Vancouver, ISO, and other styles
7

Lopato, Alexander I. "Numerical Simulation of Shock-To-Detonation Transition Using One-Stage and Detailed Chemical Kinetics Mechanism." In Smart Modelling for Engineering Systems. Springer Singapore, 2021. http://dx.doi.org/10.1007/978-981-33-4619-2_7.

Full text
APA, Harvard, Vancouver, ISO, and other styles
8

Schäfer, Lukas, Dirk Linse, Bodo Durst, and Christian Hasse. "3D CFD simulation of the spark ignition process under the consideration of spark channel deflection, diffusion effects, curvature and detailed chemical kinetics." In Proceedings. Springer Fachmedien Wiesbaden, 2016. http://dx.doi.org/10.1007/978-3-658-12918-7_23.

Full text
APA, Harvard, Vancouver, ISO, and other styles
9

Fawcett, W. Ronald. "Chemical Reaction Kinetics in Solution." In Liquids, Solutions, and Interfaces. Oxford University Press, 2004. http://dx.doi.org/10.1093/oso/9780195094329.003.0011.

Full text
Abstract:
The kinetics of chemical reactions were first studied in liquid solutions. These experiments involved mixing two liquids and following the change in the concentration of a reactant or product with time. The concentration was monitored by removing a small sample of the solution and stopping the reaction, for example, by rapidly lowering the temperature, or by following a physical property of the system in situ, for example, its color. Although the experiments were initially limited to slow reactions, they established the basic laws governing the rate at which chemical changes occur. The variables considered included the concentrations of the reactants and of the products, the temperature, and the pressure. Thus, the reacting system was examined using the variables normally considered for a system at equilibrium. Most reactions were found to be complex, that is, to be made up of several elementary steps which involved one or two reactants. As the fundamental concepts of chemical kinetics developed, there was a strong interest in studying chemical reactions in the gas phase. At low pressures the reacting molecules in a gaseous solution are far from one another, and the theoretical description of equilibrium thermodynamic properties was well developed. Thus, the kinetic theory of gases and collision processes was applied first to construct a model for chemical reaction kinetics. This was followed by transition state theory and a more detailed understanding of elementary reactions on the basis of quantum mechanics. Eventually, these concepts were applied to reactions in liquid solutions with consideration of the role of the non-reacting medium, that is, the solvent. An important turning point in reaction kinetics was the development of experimental techniques for studying fast reactions in solution. The first of these was based on flow techniques and extended the time range over which chemical changes could be observed from a few seconds down to a few milliseconds. This was followed by the development of a variety of relaxation techniques, including the temperature jump, pressure jump, and electrical field jump methods. In this way, the time for experimental observation was extended below the nanosecond range.
APA, Harvard, Vancouver, ISO, and other styles
10

Ross, John, Igor Schreiber, and Marcel O. Vlad. "Introduction." In Determination of Complex Reaction Mechanisms. Oxford University Press, 2006. http://dx.doi.org/10.1093/oso/9780195178685.003.0003.

Full text
Abstract:
Chemical kinetics as a science has existed for more than a century. It deals with the rates of reactions and the details of how a given reaction proceeds from reactants to products. In a chemical system with many chemical species, there are several questions to be asked: What species react with what other species? In what temporal order? With what catalysts? And with what results? The answers constitute the macroscopic reaction mechanism. The process can be described macroscopically by listing the reactants, intermediates, products, and all the elementary reactions and catalysts in the reaction system. The present book is a treatise and text on the determination of complex reaction mechanisms in chemistry and in chemical reaction systems that occur in chemical engineering, biochemistry, biology, biotechnology, and genomics. A basic knowledge of chemical kinetics is assumed. Several approaches are suggested for the deduction of information on the causal chemical connectivity of the species, on the elementary reactions among the species, and on the sequence of the elementary reactions that constitute the reaction pathway and the reaction mechanism. Chemical reactions occur by the collisions of molecules, and such an event is called an elementary reaction for specified reactant and product molecules. A balanced stoichiometric equation for an elementary reaction yields the number of each type of molecule according to conservation of atoms, mass, and charge. Figure 1.1 shows a relatively simple reaction mechanism for the decomposition of ozone by light, postulated to occur in a series of three elementary steps. (The details of collisions of molecules and bond rearrangements are not discussed.) All approaches are based on the measurements of the concentrations of chemical species in the whole reaction system, not on parts, as has been the practice. One approach is called the pulse method, in which a pulse of concentration of one or more species of arbitrary strength is applied to a reacting system and the responses of as many species as possible are measured. From these responses causal chemical connectivities may be inferred. The basic theory is explained, demonstrated on a model mechanism, and tested in an experiment on a part of glycolysis.
APA, Harvard, Vancouver, ISO, and other styles

Conference papers on the topic "Detailed Elementary Chemical Kinetics"

1

Zhang, Xiaoxiang, Nur Farizan Munjat, Jeevan Jayasuriya, Reza Fakhrai, and Torsten Fransson. "Evaluation of Reduced Kinetics in Simulation of Gasified Biomass Gas Combustion." In ASME Turbo Expo 2013: Turbine Technical Conference and Exposition. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/gt2013-95565.

Full text
Abstract:
It is essentially important to use appropriate chemical kinetic models in the simulation process of gas turbine combustion. To integrate the detailed kinetics into complex combustion simulations has proven to be a computationally expensive task with tens to thousands of elementary reaction steps. It has been suggested that an appropriate simplified kinetics which are computationally efficient could be used instead. Therefore reduced kinetics are often used in CFD simulation of gas turbine combustion. At the same time, simplified kinetics for specific fuels and operation conditions need to be c
APA, Harvard, Vancouver, ISO, and other styles
2

Xiao, F., and G. A. Karim. "Modeling the Performance of an IDI Diesel Engine With Intake Admission of Hydrogen in Low Concentrations." In ASME 2009 Internal Combustion Engine Division Fall Technical Conference. ASMEDC, 2009. http://dx.doi.org/10.1115/icef2009-14041.

Full text
Abstract:
A 3D-CFD model based on KIVA 3 is described. It is developed with a “reduced” detailed chemical kinetics of 294 elementary reaction steps with 79 chemical species for diesel fuel combustion which includes 20 steps for the oxidation of hydrogen. The model was employed to examine the combustion characteristics of diesel/dual fuel operation in an IDI diesel engine with a swirl chamber while injecting relatively large diesel fuel quantities with low concentrations of hydrogen intake admission. The predicted results of such an operation are compared with those of the corresponding diesel engine ope
APA, Harvard, Vancouver, ISO, and other styles
3

Gokulakrishnan, P., S. Kwon, A. J. Hamer, M. S. Klassen, and R. J. Roby. "Reduced Kinetic Mechanism for Reactive Flow Simulation of Syngas/Methane Combustion at Gas Turbine Conditions." In ASME Turbo Expo 2006: Power for Land, Sea, and Air. ASMEDC, 2006. http://dx.doi.org/10.1115/gt2006-90573.

Full text
Abstract:
The reduced kinetic mechanism for syngas/methane developed in the present work consists of a global reaction step for fuel decomposition in which the fuel molecule breaks down into CH2O and H2. A detailed CH2O/H2/O2 elementary reaction sub-set is included as the formation of intermediate combustion radicals such as OH, H, O, HO2, and H2O2 is essential for accurate predictions of non-equilibrium phenomena such as ignition and extinction. Since the chemical kinetics of H2 and CH2O are the fundamental building blocks of any hydrocarbon oxidation, the inclusion of detailed kinetic mechanisms for C
APA, Harvard, Vancouver, ISO, and other styles
4

De La Pena-Cortes, Ernesto, Francisco Elizalde-Blancas, Abel Hernandez-Guerrero, Armando Gallegos-Munoz, and Juan M. Belman-Flores. "Numerical Analysis of the Internal Fuel Processing in Solid Oxide Fuel Cells." In ASME 2013 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/imece2013-65273.

Full text
Abstract:
The high operating temperature of a SOFC (solid oxide fuel cell) has several consequences, from which the most important one is the possibility to feed the cell directly with unprocessed fuels. This eliminates the need for expensive external fuel reformers that hinder the cell from achieving a greater overall efficiency when coupled into a power generation system. Direct internal reforming (DIR) takes place directly on the anode of a SOFC by harnessing the available Nickel catalyst on its surface to process the incoming fuel. In this study a three dimensional steady state computational fluid d
APA, Harvard, Vancouver, ISO, and other styles
5

Mawid, M. A., and B. Sekar. "Development of a Detailed JP-8/Jet-A Chemical Kinetic Mechanism for High Pressure Conditions in Gas Turbine Combustors." In ASME Turbo Expo 2006: Power for Land, Sea, and Air. ASMEDC, 2006. http://dx.doi.org/10.1115/gt2006-90478.

Full text
Abstract:
Pressure conditions under which chemical reactions proceed in gas turbine combustors impact the behavior of the combustion process by either increasing or decreasing the reaction rates depending on whether these reactions are unimolecular/recombination or chemically activated bimolecular reactions. Some reactions are pressure independent such as H-abstraction reactions, while others are conditionally pressure independent if they are not at their either low or high limits. The recombination and decomposition of kinetic reactions rate constants change relative to their limiting values as the pre
APA, Harvard, Vancouver, ISO, and other styles
6

Zhou, Apeng, Shirin Jouzdani, and Ben Akih-Kumgeh. "Reduced Chemical Kinetic Models of C1 - C4 Alcohols Using the Alternate Species Elimination Approach." In ASME 2019 Internal Combustion Engine Division Fall Technical Conference. American Society of Mechanical Engineers, 2019. http://dx.doi.org/10.1115/icef2019-7114.

Full text
Abstract:
Abstract This study presents four separate reduced chemical kinetic models of methanol/ethanol, propanol isomers, n- and iso-butanol, and n- and s-butanol isomers, derived from a comprehensive chemical kinetic model of C1-C5 alcohols using the Alternate Species Elimination approach. It is motivated by complexity of the detailed model (comprising 600 species and 4100 elementary reactions) and the need for simpler kinetic models for analysis of combustion of smaller alcohols. The reduced models are obtained on the basis of ignition delay time simulations with imposed thresholds on the resulting
APA, Harvard, Vancouver, ISO, and other styles
7

Abou-Ellail, Mohsen M., Karam R. Beshay, and David R. Halka. "Mathematical Imaging of Piloted Diffusion Methane-Air Flames Under Anisotropic Scalar Dissipation Rates." In ASME 2005 Summer Heat Transfer Conference collocated with the ASME 2005 Pacific Rim Technical Conference and Exhibition on Integration and Packaging of MEMS, NEMS, and Electronic Systems. ASMEDC, 2005. http://dx.doi.org/10.1115/ht2005-72439.

Full text
Abstract:
The present work is a numerical simulation of the, piloted, non-premixed, methane–air flame structure in a new mathematical imaging domain. This imaging space has the mixture fraction of diffusion flame Z1 and mixture fraction of pilot flame Z2 as independent coordinates to replace the usual physical space coordinates. The predications are based on the solution of two–dimensional set of transformed second order partial differential conservation equations describing the mass fractions of O2, CH4, CO2, CO, H2O, H2 and sensible enthalpy of the combustion products which are rigorously derived and
APA, Harvard, Vancouver, ISO, and other styles
8

Yoshida, Kenji, Kenichi Yamada, Naoshige Matsuo, Toshinobu Tanimura, Takemori Takayama, and Isao Kataoka. "Unsteady Numerical Analysis on PCCI Combustion Affected by Intentional Initial Fuel Concentration Distribution." In ASME 2010 International Mechanical Engineering Congress and Exposition. ASMEDC, 2010. http://dx.doi.org/10.1115/imece2010-37656.

Full text
Abstract:
Unsteady numerical analyses were carried out for the PCCI combustion realization on the next generation diesel engine. The effects of intentional initial fuel concentration distribution on the ignition timing and the expansion of the operable range were focused. The numerical code was originally developed to analyze the unsteady combustion behavior of premixed gas with intentional initial fuel concentration distribution in the combustion chamber of PCCI engine. The fundamental equations for the numerical analysis are the Euler’s equations for compressible fluid, that consist of the conservatio
APA, Harvard, Vancouver, ISO, and other styles
9

Peswani, Mohnish, and Brian McN Maxwell. "Performance of a Generic 4-Step Global Reaction Mechanism With Equilibrium Effects for Detonation Applications." In ASME 2020 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2020. http://dx.doi.org/10.1115/imece2020-23786.

Full text
Abstract:
Abstract A reduced 4-species, 4-step Global Reaction Mechanism (GRM) [1], derived from detailed chemistry using a thermochemical approach, is investigated for three different reactive mixtures. The trade-off between preciseness of Elementary Reaction Mechanisms (ERMs), and low computational overhead requirements of GRMs remains a dilemma in the application of chemical kinetic models to detonation problems. Reducing a reaction mechanism often compromises the chemical details, and reduces the scope of applicability of the derived model. This is largely due to the mixture chemistry having a vital
APA, Harvard, Vancouver, ISO, and other styles
10

Perini, Federico, Anand Krishnasamy, Youngchul Ra, and Rolf D. Reitz. "Computationally Efficient Simulation of Multi-Component Fuel Combustion Using a Sparse Analytical Jacobian Chemistry Solver and High-Dimensional Clustering." In ASME 2013 Internal Combustion Engine Division Fall Technical Conference. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/icef2013-19039.

Full text
Abstract:
The need for more efficient and environmentally sustainable internal combustion engines is driving research towards the need to consider more realistic models for both fuel physics and chemistry. As far as compression ignition engines are concerned, phenomenological or lumped fuel models are unreliable to capture spray and combustion strategies outside of their validation domains — typically, high-pressure injection and high-temperature combustion. Furthermore, the development of variable-reactivity combustion strategies also creates the need to model comprehensively different hydrocarbon fami
APA, Harvard, Vancouver, ISO, and other styles

Reports on the topic "Detailed Elementary Chemical Kinetics"

1

Sardeshmukh, Swanand V., William E. Anderson lMatthew E., and Venkateswaran Sankaran. Prediction of Combustion Instability with Detailed Chemical Kinetics. Defense Technical Information Center, 2014. http://dx.doi.org/10.21236/ada613690.

Full text
APA, Harvard, Vancouver, ISO, and other styles
2

Lindstedt, R. P., and V. Markaki. Detailed and Simplified Chemical Kinetics of Aviation Fuels and Surrogates. Defense Technical Information Center, 2009. http://dx.doi.org/10.21236/ada525798.

Full text
APA, Harvard, Vancouver, ISO, and other styles
We offer discounts on all premium plans for authors whose works are included in thematic literature selections. Contact us to get a unique promo code!

To the bibliography