Relevant bibliographies by topics / Ene reaction chemistry

Contents

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

Academic literature on the topic 'Ene reaction chemistry'

Author: Grafiati
Published: 4 June 2021
Last updated: 1 February 2022

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Journal articles on the topic "Ene reaction chemistry"

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Bakhtiari, Atefeh, and Javad Safaei-Ghomi. "Effects of Chiral Ligands on the Asymmetric Carbonyl-Ene Reaction." Synlett 30, no. 15 (2019): 1738–64. http://dx.doi.org/10.1055/s-0037-1611875.

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The carbonyl-ene reaction is one of the most well-known reactions for C–C bond formation. Based on frontier molecular orbitals (FMO), carbonyl-ene reactions occur between the highest occupied molecular orbital (HOMO) of the ene compound bearing an active hydrogen atom at the allylic center and the lowest unoccupied molecular orbital (LUMO) of the electron-deficient enophile, which is a carbonyl compound. A high activation barrier enforces the concerted ene reaction rather than a Diels–Alder reaction at high temperature. Employing a catalytic system can eliminate defects in the ene reaction, an
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Niu, Dawen, and Thomas R. Hoye. "The aromatic ene reaction." Nature Chemistry 6, no. 1 (2013): 34–40. http://dx.doi.org/10.1038/nchem.1797.

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Corkey, Britton K., and F. Dean Toste. "Catalytic Enantioselective Conia-Ene Reaction." Journal of the American Chemical Society 127, no. 49 (2005): 17168–69. http://dx.doi.org/10.1021/ja055059q.

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Bintz-Giudicelli, C., and D. Uguen. "Ene Reaction of Allenic Sulfones." Tetrahedron Letters 38, no. 17 (1997): 2973–76. http://dx.doi.org/10.1016/s0040-4039(97)00536-4.

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NAGAI, Takabumi, and Itsumaro KUMADAKI. "Ene Reaction of Trifluoromethyl Carbonyl Compounds." Journal of Synthetic Organic Chemistry, Japan 49, no. 7 (1991): 624–35. http://dx.doi.org/10.5059/yukigoseikyokaishi.49.624.

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Huang, Shahua, Huaxing Huo, Wenhua Li, and Ran Hong. "Research Progress on Nitroso-ene Reaction." Chinese Journal of Organic Chemistry 32, no. 10 (2012): 1776. http://dx.doi.org/10.6023/cjoc201207026.

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Saha, Pipas, and Anil K. Saikia. "Ene cyclization reaction in heterocycle synthesis." Organic & Biomolecular Chemistry 16, no. 16 (2018): 2820–40. http://dx.doi.org/10.1039/c8ob00429c.

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Mackewitz, Thomas W., and Manfred Regitz. "The Ene Reaction in the Chemistry of Low-Coordinate Phosphorus." Synthesis 1998, no. 02 (1998): 125–38. http://dx.doi.org/10.1055/s-1998-2007.

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Trinchera, Piera, Weitao Sun, Jane E. Smith, David Palomas, Rachel Crespo-Otero, and Christopher R. Jones. "Intermolecular Aryne Ene Reaction of Hantzsch Esters: Stable Covalent Ene Adducts from a 1,4-Dihydropyridine Reaction." Organic Letters 19, no. 17 (2017): 4644–47. http://dx.doi.org/10.1021/acs.orglett.7b02272.

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Jayanth, Thiruvellore Thatai, Masilamani Jeganmohan, Mu-Jeng Cheng, San-Yan Chu, and Chien-Hong Cheng. "Ene Reaction of Arynes with Alkynes." Journal of the American Chemical Society 128, no. 7 (2006): 2232–33. http://dx.doi.org/10.1021/ja058418q.

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Dissertations / Theses on the topic "Ene reaction chemistry"

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Idris, M. S. H. "A study of the ene reactions of 1,2,3-tricarbonyl systems." Thesis, University of Nottingham, 1985. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.353550.

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Dogan, Sengul Dilem. "Regioselectivity In The Ene Reaction Of Singlet Oxygen With Cyclic Alkenes And Application Of Ene Reaction To Stereoselective Synthesis Of Carbaheptopyranose Derivatives." Phd thesis, METU, 2010. http://etd.lib.metu.edu.tr/upload/12612648/index.pdf.

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In the first part of this thesis is related to the regioselectivity in ene reaction of singlet oxygen with cyclic alkenes. The photooxygenation of 1-methyl-, 2,3-dimethyl-, 1,4-dimethylcyclohexa-1,4-dienes, 1,2,3,4,5,8-hexahydronaphthalene (16) and 2,3,4,7-tetrahydro-1H-indene (17) which are readily available through Birch reduction, yielded the ene products. The formed endocyclic dienes were trapped by the addition of singlet oxygen to give corresponding bicyclic endoperoxy-hydroperoxides. In the case of 1-methylcyclohexa-1,4-diene (13) and 1,4-dimethyl-cyclohexa-1,4-diene (15), cis-effect de
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Alminderej, Fahad Mohammad. "SYNTHESIS AND CHARACTERIZATION OF POLYURETHANE DENDRIMERS SUBSEQUENT CLICK REACTION." Miami University / OhioLINK, 2016. http://rave.ohiolink.edu/etdc/view?acc_num=miami1469447068.

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Marturano, Raffaella. "The kinetics and mechanism of the ene reaction of vinylidene alkenes with maleic anhydride." Thesis, University of Surrey, 2001. http://epubs.surrey.ac.uk/843936/.

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The 'ene' reaction is a pericyclic reaction related to the Diels-Alder reaction. It can be used to synthesise products of commercial importance. An example is its use to attach a 'succinic acid functionality' (via maleic anhydride -MA-), to the ene-terminated polyisobutylene (PIB) to yield PIBSA. While there have been a limited number of studies of the ene reaction, none have concentrated on the reactivity of the vinylidene fragment (CH2-C(=CH2)-CH3) which is found in PIB. In addition there are difficulties in the determination of the kinetics of the PIBSA reaction, because of several competit
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Ahuja, Sapna. "Uncovering New Photochemical Pathways Through Molecular Restrictions." Bowling Green State University / OhioLINK, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=bgsu1594996288079527.

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Deon, Daniel. "The effect of DBU on the tandem oxy-Cope/ene reaction and total synthesis of (+)-Arteannuin M." Thesis, University of Ottawa (Canada), 2001. http://hdl.handle.net/10393/9193.

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Tandem reactions have been proven to be powerful methods for creating new types of carbon-carbon bonds in organic synthesis. One such type of reaction is the oxy-Cope/ene reaction of 1,2-divinylcyclohexanols. This reaction has been shown to be a highly diastereoselective method for creating polycyclic compounds with tertiary alcohols at a ring junction. Unfortunately, in many of the previously reported cases, undesired retroene products were also observed.* A new method has been developed that increases the ratio of oxy-Cope/ene with respect to retroene product that involves the use of DBU as
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Wutticharoenwong, Kosin. "BIO-BASED REACTIVE DILUENTS AND THIOL-ENE PHOTOPOLYMERIZATION FOR ENVIRONMENTALLY BENIGN COATINGS." University of Akron / OhioLINK, 2007. http://rave.ohiolink.edu/etdc/view?acc_num=akron1194282497.

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Poudel, Dhruba P. "Late-Stage Modification of Polyurethane Dendrimers Using Click Chemistry." Miami University / OhioLINK, 2021. http://rave.ohiolink.edu/etdc/view?acc_num=miami1627490978861964.

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SUN, HUIKAI. "IRON TRICARBONYL PROMOTED CYCLIZATIONS: POTENTIAL APPLICATION TOWARD TOTAL SYNTHESIS OF 18-DEOXYCYTOCHALASIN H." Case Western Reserve University School of Graduate Studies / OhioLINK, 2008. http://rave.ohiolink.edu/etdc/view?acc_num=case1190143838.

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Zhurakovskyi, Oleksandr. "Pericyclic and related rearrangements for the synthesis of nitrogen heterocyclic ring systems." Thesis, University of Oxford, 2013. http://ora.ox.ac.uk/objects/uuid:d7e4bbea-4009-4e7e-838c-46b4bb81bc13.

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The thesis describes synthesis and reactions of allene azides tethered to various functional groups and the application of the discovered cascade transformations towards the synthesis of radianspene J model system. Chapter 1 covers reactions of simple allene azides containing alkyl and cycloalkyl substituents. Thermal rearrangements of these substrates delivered isocyanides and azadienes via the proposed azatrimethylenemethane (ATMM) intermediates. On the other hand, vinylidenecyclopropanes (VDCPs) gave dramatically different products, as described in Chapter 2. A phenyl-substituted VDCP was t
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Books on the topic "Ene reaction chemistry"

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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.

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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
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(Editor), Naoyuki Taniguchi, Fumitaka Hayase (Editor), Tadao Kurata (Editor), and Toshihiko Osawa (Editor), eds. The Maillard Reaction in Food Chemistry and Medical Science: Update for Post-genomic Era. Elsevier Science Pub Co, 2002.

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Book chapters on the topic "Ene reaction chemistry"

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Cramer, Neil B., and Christopher N. Bowman. "Thiol-Ene Chemistry." In Chemoselective and Bioorthogonal Ligation Reactions. Wiley-VCH Verlag GmbH & Co. KGaA, 2017. http://dx.doi.org/10.1002/9783527683451.ch5.

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Brummond, K. M., and J. A. Loyer-Drew. "C–C Bond Formation (Part 1) by Addition Reactions: Alder-ene Reaction." In Comprehensive Organometallic Chemistry III. Elsevier, 2007. http://dx.doi.org/10.1016/b0-08-045047-4/00134-5.

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"The First Organocatalytic Carbonyl-Ene Reaction: Isomerisation-Free C-C Bond Formations Catalysed By H-Bonding Thio-Ureas." In Organic Chemistry. Apple Academic Press, 2011. http://dx.doi.org/10.1201/b12874-22.

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Patrick, Graham. "3. The synthesis and analysis of organic compounds." In Organic Chemistry: A Very Short Introduction. Oxford University Press, 2017. http://dx.doi.org/10.1093/actrade/9780198759775.003.0003.

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The design of novel medicines, insecticides, perfumes, flavourings, or polymeric materials relies crucially on organic chemists. ‘The synthesis and analysis of organic compounds’ outlines how the synthesis of an organic compound is devised to ensure that each atom is in the correct position within the molecule. It explains retrosynthesis and how reactions are carried out and monitored using chromatography and infrared spectroscopy. Once a reaction has been carried out, it is necessary to isolate and purify the reaction product. The structure of the end product needs to be analysed by elemental analysis, mass spectrometry, X-ray crystallography, or nuclear magnetic resonance spectroscopy. Another important part of organic chemistry is understanding how reactions take place.
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Engel, Paul. "2. Making things happen—catalysis." In Enzymes: A Very Short Introduction. Oxford University Press, 2020. http://dx.doi.org/10.1093/actrade/9780198824985.003.0002.

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‘Making things happen—catalysis’ examines chemical catalysis, considering what makes a reaction go or not go and how enzymes catalyse particular chemical reactions. This process is not unique to living systems, although enzymes are both more potent and more selective than catalysts encountered elsewhere in chemistry. A catalyst is an agent that speeds up a chemical reaction but remains unchanged itself at the end of the process. Since a catalyst is not altered or used up, it can be used over and over again.
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Haida, Abderrazak Ben, and Philip Hodge. "The formation of cyclic oligomers during step-growth polymerization." In Polymer Chemistry. Oxford University Press, 2004. http://dx.doi.org/10.1093/oso/9780198503095.003.0010.

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Step-growth polymerization is controlled both by the efficiency of the synthetic routes chosen (as indicated in Chapter 4) and by statistical considerations. In particular, the formation of the desired polymer is almost always accompanied by a cyclic oligomer fraction. As the dilution increases, the chances of cyclization also increase, since polymerization is a second-order process involving the reaction between linear species, whereas cyclization, involving the (intramolecular) reaction between the two ends of a linear molecule, is inherently a first-order process. Cyclization is a particular feature of the early stages of a step-growth polymerization (up to extents of reaction of 98–99%), where a proportion of the end groups that react are on the same molecule. Hence, cyclics form. Since the chances of meeting of the end groups decrease rapidly as the distance between them increases, the cyclics are of relatively low molecular weight, that is, they are oligomers. Further reaction leads mainly to linear molecules, although at extremely high conversions the number of end groups is quite small and intramolecular reactions essentially terminate the process, such that it might be expected that all chains ultimately cyclize. Practically though, the levels of conversion necessary to obtain these very large rings are extremely high and difficult to obtain (either by virtue of side reactions, monomer imperfections, or simply the level of viscosity of high molecular weight polymer solutions). What is usually obtained, therefore, is a mixture of cyclics and linear molecules. However, since cyclic oligomers often differ considerably in, for example, solubility compared to their high molar mass linear homologues, separation is often relatively straightforward. The commercial importance of polymers produced by step-growth polymerization gives a particular significance to understanding the nature of such materials. The presence of cyclic oligomers can be detrimental to the polymer properties since their presence could cause problems during processing. For instance, cyclic oligomers of polyethylene terephthalate (PET) tend to migrate to the surface of spun fibres and, under certain conditions, they crystallize to produce a surface ‘bloom’ which interferes with subsequent dyeing. More recently, it is the reverse of cyclization, namely ring-opening polymerization, which has been a particular focus of attention.
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Sethiya, Ayushi, Nusrat Sahiba, and Shikha Agarwal. "Role of Click Chemistry in Organic Synthesis." In Current Topics in Chirality - From Chemistry to Biology. IntechOpen, 2021. http://dx.doi.org/10.5772/intechopen.96146.

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Click chemistry involves highly efficient organic reactions of two or more highly functionalized chemical entities under eco-benign conditions for the synthesis of different heterocycles. Several organic reactions such as nucleophilic ring-opening reactions, cyclo-additions, nucleophilic addition reactions, thiol-ene reactions, Diels Alder reactions, etc. are included in click reactions. These reactions have very important features i.e. high functional group tolerance, formation of a single product, high atom economy, high yielding, no need for column purification, etc. It also possesses several applications in drug discovery, supramolecular chemistry, material science, nanotechnology, etc. Being highly significant and valuable, we have elaborated on several aspects of click reactions in organic synthesis in this chapter. Recent advancements in the field of organic synthesis using click chemistry approach have been deliberated by citing last five years articles.
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Sheppard, R. C. "Introduction — a retrospective viewpoint." In Fmoc Solid Phase Peptide Synthesis. Oxford University Press, 1999. http://dx.doi.org/10.1093/oso/9780199637256.003.0005.

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The Chemical Society publication Annual Reports on the Progress of Chemistry for 1963 attempted to inform readers of all the highly significant advances in all the major fields of pure chemistry during that year. Fortunately, the section on peptide chemistry drew attention to a paper by R. B. Merrifield which had just been published in the Journal of the American Chemical Society: A novel approach to peptide synthesis has been the use of a chloromethylated polystyrene polymer as an insoluble but porous solid phase on which the coupling reactions are carried out. Attachment to the polymer constitutes protection of the carboxyl group (as a modified benzyl ester), and the peptide is lengthened from its amino-end by successive carbodiimide couplings. The method has been applied to the synthesis of a tetrapeptide, but incomplete reactions lead to the accumulation of by products. Further development of this interesting method is awaited. I remember thinking at the time that in this paper we had possibly seen both the beginning and the end of the interesting new technique of solid phase peptide synthesis. To many organic chemists, the described result was that anticipated—difficulty in bringing heterogeneous reactions to completion resulting in impure products. Both this and purification problems were expected to worsen as the chain length was increased beyond Merrifield’s tetrapeptide limit. In fact, I probably had at the time an inadequate appreciation of the difference between truly heterogeneous or surface reactions and those in the solvated gel phase. The latter approaches much more closely the solution situation. However, the new technique also flouted many of the basic principles of contemporary organic synthesis which required rigorous isolation, purification, and characterization regimes following each synthetic step. In Merrifield’s new technique, isolation consisted simply of washing the solid resin, there was no other purification of the products of each reaction, and little or no characterization of resin-bound intermediates was attempted. The first two of these are of course the important characteristics which give the method its speed and simplicity and contribute to its efficiency. Small wonder, though, that in many minds there was doubt about the future of the new technique.
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Oriakhi, Christopher O. "Volumetric Analysis." In Chemistry in Quantitative Language. Oxford University Press, 2009. http://dx.doi.org/10.1093/oso/9780195367997.003.0018.

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Volumetric analysis is a chemical analytical procedure based on measurement of volumes of reaction in solutions. It uses titration to determine the concentration of a solution by carefully measuring the volume of one solution needed to react with another. In this process, a measured volume of a standard solution, the titrant, is added from a burette to the solution of unknown concentration. When the two substances are present in exact stoichiometric ratio, the reaction is said to have reached the equivalence or stoichiometric point. In order to determine when this occurs, another substance, the indicator, is also added to the reaction mixture. This is an organic dye which changes color when the reaction is complete. This color change is known as the end point; ideally, it will coincide with the equivalence point. For various reasons, there is usually some difference between the two, though if the indicator is carefully chosen, the difference will be negligible. A typical titration is based on a reaction of the general type aA+bB → products where A is the titrant, B the substance titrated, and a:b is the stoichiometric ratio between the two. Some indicators include Litmus, Methyl Orange, Methyl Red, Phenolphthalein, and Thymol Blue. Titration can be applied to any of the following chemical reactions: • Acid–base • Complexation • Oxidation–reduction • Precipitation Only acid–base and oxidation–reduction titration will be treated here, though the fundamental principles are the same in all cases. Acid–base titration involves measuring the volume of a solution of the acid (or base) that is required to completely react with a known volume of a solution of a base (or acid). The relative amounts of acid and base required to reach the equivalence point depend on their stoichiometric coefficients. It is therefore critical to have a balanced equation before attempting calculations based on acid–base reactions. Below we define some of the common terms associated with acid–base reactions. A molar solution is one that contains one mole of the substance per liter of solution. For example, a molar solution of sodium hydroxide contains 40 g (NaOH=40 g/mol) of the solute per liter of solution. As described in chapter 13, the concentration of a solution expressed in moles per liter of solution is known as the molarity of the solution.
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Mikami, Koichi. "Supramolecular chemistry in asymmetric carbonyl–ene reactions." In Advances in Asymmetric Synthesis Volume 1. Elsevier, 1995. http://dx.doi.org/10.1016/s1874-5148(06)80004-7.

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Conference papers on the topic "Ene reaction chemistry"

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Liu, Shuyan, Yabin Zhang, Congcong Zhai, et al. "Synthesis and Properties of a Novel Fluorinated Surfactant via “Thiol-ene” Click Reaction." In The Second International Conference on Materials Chemistry and Environmental Protection. SCITEPRESS - Science and Technology Publications, 2018. http://dx.doi.org/10.5220/0008185400550058.

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Jarrahbashi, Dorrin, Sayop Kim, and Caroline L. Genzale. "Simulation of Combustion Recession After End-of-Injection at Diesel Engine Conditions." In ASME 2016 Internal Combustion Engine Division Fall Technical Conference. American Society of Mechanical Engineers, 2016. http://dx.doi.org/10.1115/icef2016-9433.

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Recent experimental observations show that lifted diesel flames tend to propagate back towards the injector after the end of injection under conventional high-temperature combustion conditions. Earlier studies have referred to this phenomenon as “flashback,” but more recently the term “combustion recession” has been adopted to reflect findings that the process appears dominated by “auto-ignition” reactions upstream of the lifted flame after the end of injection. Since this process is only initiated after the end of injection, it is also closely linked to the end-of-injection entrainment wave a
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Naik, Chitralkumar V., Karthik V. Puduppakkam, and Ellen Meeks. "An Improved Core Reaction Mechanism for C0-C4 Unsaturated Fuels and C0-C4 Fuel Blends." In ASME Turbo Expo 2012: Turbine Technical Conference and Exposition. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/gt2012-68722.

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Simulation of the combustion of fuels used in transportation and energy applications requires accurate chemistry representation of the fuel. Surrogate fuels are typically used to represent liquid fuels, such as gasoline, diesel or jet fuel, where the surrogate contains a handful of components. For gaseous fuels, surrogates are effectively used as well, where methane may be used to represent natural gas, for example. An accurate chemistry model of a surrogate fuel means a detailed reaction mechanism that contains the kinetics of all the molecular components of the fuel model. Since large hydroc
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Karis, T. E., and M. D. Carter. "Oxidation Chemistry of Primary and Secondary Antioxidants." In World Tribology Congress III. ASMEDC, 2005. http://dx.doi.org/10.1115/wtc2005-63592.

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Inhibition of oil oxidation is the key to long life of synthetic lubricants operating in thermal stress and boundary lubrication environments [1]. Bench-scale tests to screen oil formulations provide a rapid means for optimizing formulations prior to longer running verification tests done with the oil in the end-use application [2]. The ultimate goal of accelerated oil life tests is to link the sample combustion temperature, or induction time, at a given heating rate, or temperature, to the estimated lifetime under normal use temperatures. A first order reaction model has recently been employe
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Wylde, Jonathan J. "The Challenges Associated with Reaction Products Left in Scale Inhibitor Species after Radical Polymerization." In SPE International Oilfield Scale Conference and Exhibition. SPE, 2014. http://dx.doi.org/10.2118/spe-169778-ms.

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Abstract The use of polymeric scale inhibitors has been ubiquitously accepted by the oil and gas industry for many years. There are many benefits to the use of this type of chemistry that include aspects such as high performance, scale species selectivity, enhanced brine compatibility, favorable environmental properties and high thermal stability. A very common way to manufacture polymeric scale inhibitors is via free radical polymerization. Here an initiator is used to propagate the generation of free radicals from a species, such as hydrogen peroxide. The initiator chemistry can be very vari
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Mayer, Luke J., and Darryl L. James. "Experimental Analysis of Flow Crossover in a Solar Thermochemical Reactor." In ASME 2012 10th International Conference on Fuel Cell Science, Engineering and Technology collocated with the ASME 2012 6th International Conference on Energy Sustainability. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/fuelcell2012-91398.

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As energy and fuel security continue to be of increasing importance to economies around the world, countries are looking to move away from oil dependency. Energy solutions are being sought in the area of solar fuels to meet these growing needs. Concentrated solar thermochemical technology has the potential to directly convert sunlight into a useable, carbon-neutral liquid fuel that can be easily stored and integrated into our existing forms of energy demand such as transportation and heating fuels. Ongoing research performed by several groups at Sandia National Laboratories seeks to fundamenta
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Xu, Chao, Pinaki Pal, Xiao Ren, et al. "Numerical Investigation of Fuel Property Effects on Mixed-Mode Combustion in a Spark-Ignition Engine." In ASME 2019 Internal Combustion Engine Division Fall Technical Conference. American Society of Mechanical Engineers, 2019. http://dx.doi.org/10.1115/icef2019-7265.

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Abstract In the present study, mixed-mode combustion of an E30 fuel in a direct-injection spark-ignition engine is numerically investigated at a fuel-lean operating condition using multidimensional computational fluid dynamics (CFD). A fuel surrogate matching Research Octane Number (RON) and Motor Octane Number (MON) of E30 is first developed using neural network based non-linear regression model. To enable efficient 3D engine simulations, a 164-species skeletal reaction mechanism incorporating NOx chemistry is reduced from a detailed chemical kinetic model. A hybrid approach that incorporates
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Krzhizhanovskaya, V. V., M. A. Zatevakhin, A. A. Ignatiev, Yu E. Gorbachev, W. J. Goedheer, and P. M. A. Sloot. "A 3D Virtual Reactor for Simulation of Silicon-Based Film Production." In ASME/JSME 2004 Pressure Vessels and Piping Conference. ASMEDC, 2004. http://dx.doi.org/10.1115/pvp2004-3120.

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In this paper we introduce a Grid-based Virtual Reactor, a problem-solving environment that supports detailed numerical study of industrial thin film production in Plasma Enhanced Chemical Vapor Deposition (PECVD) reactors. We describe the physics and chemistry underpinning the deposition process, the numerical approach to simulate these processes on advanced computer architectures as well as the associated software environment supporting computational experiments. In the developed 3D model we took into account all relevant chemical kinetics, plasma physics and transport processes that occur i
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Ma, L., M. C. Pourkashanian, and C. W. Wilson. "A CFD Model for Reacting Flows in an Aero-Engine Hot End Simulator." In ASME Turbo Expo 2005: Power for Land, Sea, and Air. ASMEDC, 2005. http://dx.doi.org/10.1115/gt2005-68077.

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This paper presents a three-dimensional CFD model that numerically simulates the physical and chemical species transformations in the aero-engine turbine and nozzle aimed at contributing to an improved understanding of the minor species emitted by the aircraft, in particular the production of the gaseous aerosol precursors such as SO3, H2SO4 and HONO within the aircraft engine. The results presented are for the model applications to an aero-engine Hot End Simulator (HES). The HES was designed in the PARTEMIS programme to recreate the thermodynamic profile in the turbine and nozzle through whic
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Kokjohn, Sage L., and Rolf D. Reitz. "Investigation of the Roles of Flame Propagation, Turbulent Mixing, and Volumetric Heat Release in Conventional and Low Temperature Diesel Combustion." In ASME 2010 Internal Combustion Engine Division Fall Technical Conference. ASMEDC, 2010. http://dx.doi.org/10.1115/icef2010-35135.

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In this work, a multi-mode combustion model, that combines a comprehensive kinetics scheme for volumetric heat release and a level-set-based model for turbulent flame propagation, is applied over the range of engine combustion regimes from non-premixed to premixed conditions. Model predictions of the ignition processes and flame structures are compared to measurements from the literature of naturally occurring luminous emission and OH planar laser induced fluorescence (PLIF). Comparisons are performed over a range of conditions from conventional diesel operation (i.e., short ignition delay, hi
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Reports on the topic "Ene reaction chemistry"

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Führ, Martin, Julian Schenten, and Silke Kleihauer. Integrating "Green Chemistry" into the Regulatory Framework of European Chemicals Policy. Sonderforschungsgruppe Institutionenanalyse, 2019. http://dx.doi.org/10.46850/sofia.9783941627727.

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Abstract:
20 years ago a concept of “Green Chemistry” was formulated by Paul Anastas and John Warner, aiming at an ambitious agenda to “green” chemical products and processes. Today the concept, laid down in a set of 12 principles, has found support in various arenas. This diffusion was supported by enhancements of the legislative framework; not only in the European Union. Nevertheless industry actors – whilst generally supporting the idea – still see “cost and perception remain barriers to green chemistry uptake”. Thus, the questions arise how additional incentives as well as measures to address the ba
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