Relevant bibliographies by topics / Homogeneous Reactions

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

Academic literature on the topic 'Homogeneous Reactions'

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

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Journal articles on the topic "Homogeneous Reactions"

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Koóš, Peter, Martin Markovič, Pavol Lopatka, and Tibor Gracza. "Recent Applications of Continuous Flow in Homogeneous Palladium Catalysis." Synthesis 52, no. 23 (August 3, 2020): 3511–29. http://dx.doi.org/10.1055/s-0040-1707212.

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Considerable advances have been made using continuous flow chemistry as an enabling tool in organic synthesis. Consequently, the number of articles reporting continuous flow methods has increased significantly in recent years. This review covers the progress achieved in homogeneous palladium catalysis using continuous flow conditions over the last five years, including C–C/C–N cross-coupling reactions, carbonylations and reductive/oxidative transformations.1 Introduction2 C–C Cross-Coupling Reactions3 C–N Coupling Reactions4 Carbonylation Reactions5 Miscellaneous Reactions6 Key to Schematic Symbols7 Conclusion
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Münster, A., and F. W. Schneider. "Homogeneous Nonlinear Chemical Reactions." PAMM 1, no. 1 (March 2002): 14. http://dx.doi.org/10.1002/1617-7061(200203)1:1<14::aid-pamm14>3.0.co;2-y.

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Hájek, Milan. "Microwave Activation of Homogeneous and Heterogeneous Catalytic Reactions." Collection of Czechoslovak Chemical Communications 62, no. 2 (1997): 347–54. http://dx.doi.org/10.1135/cccc19970347.

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Microwave heating was applied in homogeneous and in heterogeneous reactions and the results were compared from the point of view of activation of chemical reactions. Reactions including the addition of halo compounds to alkenes catalyzed by copper and ruthenium complexes in different solvents and NaY zeolite catalyzed alkylation of secondary amine in the absence of solvent were studied as model reactions to compare possibilities of microwave activation of reactants and catalysts. Rate enhancement of over one order of magnitude in homogeneous reactions was caused mainly by thermal dielectric heating effect which resulted from the effective coupling of microwaves to polar solvents. Activation of reactants and catalysts was very low if any. In heterogeneously catalyzed alkylation reactions highly efficient activation of zeolite catalyst was recorded. The results indicated that the best reaction conditions were in experiments when both activation of catalyst and performance of reaction were carried out under microwave conditions. Rate enhancement was most probably caused by "hot spots" or by "selective heating" of active sites. In both homogeneous and heterogeneous reactions non-thermal activation (specific effect) was excluded.
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Tuulmets, A., G. Cravotto, S. Salmar, and J. Jarv. "Sonochemistry of Homogeneous Ionic Reactions." Mini-Reviews in Organic Chemistry 7, no. 3 (August 1, 2010): 204–11. http://dx.doi.org/10.2174/157019310791384155.

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Tuulmets, Ants. "Ultrasound and polar homogeneous reactions." Ultrasonics Sonochemistry 4, no. 2 (April 1997): 189–93. http://dx.doi.org/10.1016/s1350-4177(97)00013-8.

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Compton, Richard G., R. Anthony Spackman, and Patrick R. Unwin. "Homogeneous catalysis of electrochemical reactions." Journal of Electroanalytical Chemistry and Interfacial Electrochemistry 264, no. 1-2 (June 1989): 1–25. http://dx.doi.org/10.1016/0022-0728(89)80145-7.

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Compton, Richard G., and R. Anthony Spackman. "Homogeneous catalysis of electrochemical reactions." Journal of Electroanalytical Chemistry and Interfacial Electrochemistry 285, no. 1-2 (June 1990): 273–79. http://dx.doi.org/10.1016/0022-0728(90)87127-6.

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Zheng, Zhitong, Xu Ma, Xinpeng Cheng, Ke Zhao, Kaylaa Gutman, Tianyou Li, and Liming Zhang. "Homogeneous Gold-Catalyzed Oxidation Reactions." Chemical Reviews 121, no. 14 (February 16, 2021): 8979–9038. http://dx.doi.org/10.1021/acs.chemrev.0c00774.

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Göndös, György, Lajos Gera, Mihály Bartók, and James C. Orr. "Homogeneous and heterogeneous catalytic asymmetric reactions." Journal of Organometallic Chemistry 373, no. 3 (September 1989): 365–75. http://dx.doi.org/10.1016/0022-328x(89)85065-x.

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Wittmann, Gyula, Gizella B. Bartók, Mihály Bartók, and Gerard V. Smith. "Homogeneous and heterogeneous catalytic asymmetric reactions." Journal of Molecular Catalysis 60, no. 1 (May 1990): 1–10. http://dx.doi.org/10.1016/0304-5102(90)85061-l.

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Dissertations / Theses on the topic "Homogeneous Reactions"

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Núñez, Magro Ángel Alberto. "New reactions under homogeneous conditions." Thesis, University of St Andrews, 2007. http://hdl.handle.net/10023/482.

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BDTBPMB has been proven to be an essential ligand in carbonylation chemistry. Its two tert-butyl groups and wide bite angle give it the ideal characteristics for this kind of chemistry, and leads to high activity and selectivity with use of its complexes. During this work the group of reactions where this ligand has been proven to be active has been extended with two new protocols for hydroxycarbonylation and aminocarbonylation. In the hydroxycarbonylation process, a large variety of unsaturated compounds were studied. Dioxane was found to be the ideal solvent, due to its properties in terms of coordinability, and miscibility with water. Using this solvent as the medium, a BDTBPMB complex of palladium was found to be highly active and selective under mild conditions. Initial attempts to address the aminocarbonylation of alkenes catalysed by the Pd/BDTBPMB system did not give high activity. This problem was overcome by the addition of an arylalcohol. Under those conditions, high selectivity and conversion was obtained in a wide variety of amides. However, attempts to address the aminocarbonylation of alkenes with ammonia gas to generate primary amides did not result in any conversion. The generation of these primary amides was obtained with transamidation of N-phenylnonamides which can be prepared by aminocarbonylation. Amides have been successfully hydrogenated to amines catalysed by a Ru/Triphos system. This system has been proven to be highly active in this reaction. High selectivities have been obtained in the generation of secondary amine. However, initial results of the hydrogenation of primary amides resulted in no formation of primary amines. A careful analysis of the mechanism of the formation of various products from the hydrogenation of primary amides allows the selective formation of primary amines by the ruthenium/Triphos system in the presence of ammonia. The possibility of the generation of primary amides in situ from acids under hydrogenation conditions, giving primary amines was explored with high conversion and moderate selectivities. To complete this work, a system based on a palladium complex for the decarboxylation of benzoic acids was developed. Usually, the decarboxylation reactions catalysed by copper require high temperatures. However, palladium complexes of highly electron donating ligands such as BDTBPMB or P([superscript]tBu)₃ were found to be highly active under milder conditions. This catalytic system was proven to be active in desulfonation reactions giving high conversion.
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Robb, Lynzi M. "Kinetic analysis of homogeneous catalytic reactions." Thesis, University of St Andrews, 2011. http://hdl.handle.net/10023/2562.

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Reaction progress kinetic analysis (RPKA) is a powerful tool for determining kinetic parameters of catalytic reactions. Many of the published articles that have used RPKA have employed reaction calorimetry for obtaining sufficient data to be reliable. The use of gas uptake measurements, in place of calorimetry is explored in this Thesis. Chapter 2 details the use of gas uptake measurements in establishing the order with respect to substrate and gas for the rhodium catalysed hydrogenation of 1-octene. Previous studies have used initial rate measurements to establish these orders and the reaction cycle is well known. The use of RPKA allows the same information to be established in two reactions. Chapter 3 focuses on the rhodium catalysed hydroformylation of 1-octene as it involves the reaction of one substrate with two gases. Using RPKA it is possible to determine the order in substrate and the overall order in gas, but it was found difficult to determine the order with respect to the individual gases using RPKA alone. Chapter 4 shows the palladium catalysed methoxycarbonylation of vinyl acetate. The reaction has two substrate concentrations changing simultaneously as well as a gas. This chapter shows that by careful design of experiments the orders with respect to each of these substrates and CO can be determined in minimal numbers of experiments. Chapter 5 focuses on the methoxycarbonylation of alkynes, which uses RPKA in complex multistep reactions, to establish if RPKA can be used to determine the kinetics with respect to the individual reacting components for each step. This study focuses on the methoxycarbonylation of phenylacetylene to produce methyl cinnamate as well as the methoxycarbonylation of both terminal and internal linear alkynes. These linear alkynes carbonylate to produce an α,β-unsaturated ester. The double bond is isomerised from its conjugated position along the chain to the terminal position where it is trapped and carbonylated to produce an α,ω-dieter product.
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Winter, Nicholas John. "Homogeneous rhodium catalysed hydrocarbonylation reactions of alkenes." Thesis, Durham University, 1991. http://etheses.dur.ac.uk/6194/.

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The conversion of ethene, carbon monoxide and water to propanoic acid by the catalytic action of various rhodium species, was investigated by infra-red spectroscopy and autoclave batch reactions. Utilisation of a high pressure infra-red cell and a Fourier Transform infra-red spectrometry enabled study of the spectra of the catalytic systems at temperatures up to 180ºC, and at pressures of 10 -150 bar. The batch autoclave reactions enable rates, yield and selectivities to be determined with the aid of Gas Chromatography and Mass Spectroscopy. Rhodium halides were used as precursors and the effects of solvents, water, iodide initiators, were studied. It was shown that polar solvents favoured hydrocarbonylation as did hydrous conditions. Ethyl iodide and hydrogen iodide were active initiators, however hydrogen iodide was observed to poison the catalyst forming [Rh(CO)(_2)I(_4)](^-) and other rhodium(III) species. At temperatures above 170ºC rhodium(I) species such as [Rh(CO)(_2)I(_2)](^-) were more prominent. A novel catalyst system was produced by employing rhodium(III) chloride, tin(II) chloride and hydrochloric acid. The nature of this system was studied in terms of solvents, the interaction of rhodium and tin, and the role of hydrogen chloride. Infrared studies revealed rhodium-tin species in the reaction media. Studies were conducted to ascertain the role of cations and additives. Further studies determined the activity of other metals as co-catalysts to rhodium, showing tin to be a superior co-catalyst.
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Sibtain, Fazle. "Desulphurisation and carbonylation reactions under homogeneous and phase transfer conditions." Thesis, University of Ottawa (Canada), 1987. http://hdl.handle.net/10393/5191.

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Lee, Heung Chan. "Magnetic field effects on electron transfer reactions: heterogeneous photoelectrochemical hydrogen evolution and homogeneous self exchange reaction." Diss., University of Iowa, 2010. https://ir.uiowa.edu/etd/2562.

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Magnetic field effects (MFE) on electrochemical systems have been of interest to researchers for the past 60 years. MFEs on mass transport, such as magnetohydrodynamics and magnetic field gradients effects are reported, but MFEs on electron transfer kinetics have been rarely investigated. Magnetic modification of electrodes enhances electron transfer kinetics under conditions of high concentrations and low physical diffusion conditions, as shown by Leddy and coworkers. Magnetic microparticles embedded in an ion exchange polymer (e.g., Nafion) applied to electrode surfaces. Rates of electron transfer reactions to diffusing redox probes and to adsorbates are markedly enhanced. This work reports MFEs on hydrogen evolution on illuminated p-Si; MFEs on hydrogen evolution on noncatalytic electrodes; a model for MFEs on homogeneous self-exchange reactions; and a convolution based voltammetric method for film modified electrodes. First, a MFE on the photoelectrochemical hydrogen evolution reaction (HER) at p-Si semiconductors is demonstrated. The HER is an adsorbate reaction. Magnetic modification reduces the energetic cost of the HER by 400 - 500 mV as compared to Nafion modified electrodes and by 1200 mV as compared to unmodified p-Si. Magnetically modified p-Si achieves 6.2 % energy conversion efficiency. Second, from HER on noncatalytic electrodes, the MFE on photoelectrochemical cells arises from improved heterogeneous electron transfer kinetics. On glassy carbon electrodes, magnetic modification improves heterogeneous electron transfer rate constant, k₀,for HER 80,000 fold. Third, self exchange reaction rates are investigated under magnetic modification for various temperatures, outersphere redox probes, and magnetic particles. Arrhenius analyses of the rate constants collected from the experiments show a 30 - 40 % decrease in activation energy at magnetically modified electrodes. A kinetic model is established based on transition state theory. The model includes pre-polarization and electron nuclear spin polarization steps and characterizes a majority of the experimental results. Lastly, a convolution technique for modified with uniform films electrodes is developed and coded in Matlab (mathematical software) for simple and straightforward analysis of Nafion modified electrodes.
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Ban, Zhihui. "Synthesis and investigation of nanomaterials by homogeneous nonaqueous solution phase reactions." ScholarWorks@UNO, 2005. http://louisdl.louislibraries.org/u?/NOD,274.

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Thesis (Ph. D.)--University of New Orleans, 2005.
Title from electronic submission form. "A dissertation ... in partial fulfillment of the requirements for the degree of Doctor of Philosophy in the Department of Chemistry"--Dissertation t.p. Vita. Includes bibliographical references.
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Serra, Parareda Jordi. "Gold complexes for homogeneous cross-coupling catalysis and migratory insertion reactions." Doctoral thesis, Universitat de Girona, 2018. http://hdl.handle.net/10803/664428.

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Most of the different homogeneous reactions catalyzed by gold have been developed in the past fifteen years and stem from the ability of both Au(I) and Au(III) complexes to coordinate and activate multiple carbon-carbon bonds. However, the high ionization potential of gold has long hindered Au(I)/Au(III) catalytic cycles under homogeneous conditions, an underdeveloped field compared to classical cross-coupling methodologies. Although direct evidence for the main elementary steps of organometallic chemistry has been obtained very recently, their scope is still limited and much remains to be done before our knowledge on gold reaches that of other transition metals, especially of groups 9 and 10. Therefore, the unifying motivation behind the different research topics presented in this doctoral dissertation is to enhance our expertise concerning the factors governing the reactivity of gold complexes, with oxidative addition and migratory insertion particularly under the spotlight
La majoria de reaccions homogènies catalitzades per or han estat desenvolupades els darrers quinze anys, i aprofiten la capacitat dels complexes d’Au(I) i Au(III) per coordinar i activar enllaços múltiples carboni-carboni. No obstant l'elevat potencial de ionització de l’or ha privat l’accés a cicles catalítics del tipus Au(I)/Au(III) en condicions homogènies, un camp subdesenvolupat en comparació amb d’altres metodologies d’acoblament creuat clàssiques. Malgrat que recentment els processos fonamentals en química organometàl·lica han estat evidenciats, el seu abast és encara limitat i queda molt per recórrer abans que el nostre coneixement en or assoleixi el d’altres metalls de transició. Així doncs, la motivació principal rere els projectes de recerca presentats en aquesta tesi doctoral és incrementar la nostra expertesa pel que fa als factors que governen les reactivitat dels complexes d’or, amb especial incidència en l’addició oxidant i la inserció migratòria
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Perez, Nieves Molina. "In situ spectroscopic characterisation and kinetic studies of homogeneous catalysed reactions." Thesis, University of Liverpool, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.250205.

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Cheng, Xiaohui. "Transition metal catalysed homogeneous hydroamination, allylic substitution and transfer hydrogenation reactions." Thesis, King's College London (University of London), 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.410013.

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Thompson, Heather. "The influence of electrolyte on electrode processes and homogeneous chemical reactions." Thesis, University of Southampton, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.263473.

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Books on the topic "Homogeneous Reactions"

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Helfferich, Friedrich G. Kinetics of homogeneous multistep reactions. Amsterdam: Elsevier, 2001.

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Agbormbai, Adolf A. Reciprocity theory of homogeneous reactions. [London, England]: Imperial College of Science, Technology and Medicine, Dept. of Aeronautics, 1990.

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Moser, William R., and Donald W. Slocum, eds. Homogeneous Transition Metal Catalyzed Reactions. Washington, DC: American Chemical Society, 1992. http://dx.doi.org/10.1021/ba-1992-0230.

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Poehler, Andrew C., and Andrew C. Poehler. Homogeneous catalysts: Types, reactions, and applications. Hauppauge, N.Y: Nova Science Publishers, 2010.

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Poehler, Andrew C. Homogeneous catalysts: Types, reactions, and applications. Hauppauge, N.Y: Nova Science Publishers, 2010.

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Prud'Homme, Roger. Flows and Chemical Reactions in Homogeneous Mixtures. Hoboken, NJ USA: John Wiley & Sons, Inc., 2013. http://dx.doi.org/10.1002/9781118832653.

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McAteer, Karl M. Homogeneous and heterogeneous reactions associated with polymer/enzyme composite electrodes. Dublin: University College Dublin, 1996.

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Radhakrishnan, Krishnan. LSENS-a general chemical kinetics and sensitivity analysis code for homogeneous gas-phase reactions. Washington D.C: National Aeronautics and Space Administration, 1994.

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Radhakrishnan, Krishnan. LSENS-a general chemical kinetics and sensitivity analysis code for homogeneous gas-phase reactions. Washington D.C: National Aeronautics and Space Administration, 1994.

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Bittker, David A. LSENS, a General Chemical Kinetics and Sensitivity Analysis Code for homogeneous gas-phase reactions. III. Illustrative test problems. Cleveland: Lewis Research Center, 1994.

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Book chapters on the topic "Homogeneous Reactions"

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Fukuyama, Takahide, Md Taifur Rahman, and Ilhyong Ryu. "Homogeneous Reactions." In Microreactors in Organic Chemistry and Catalysis, 101–32. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2013. http://dx.doi.org/10.1002/9783527659722.ch5.

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Hessel, Volker, and Patrick Löb. "Homogeneous Reactions." In Micro Process Engineering, 365–93. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2013. http://dx.doi.org/10.1002/9783527631445.ch14.

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Astarita, Gianni. "Homogeneous Reactions." In Thermodynamics, 67–99. Boston, MA: Springer US, 1989. http://dx.doi.org/10.1007/978-1-4899-0771-4_4.

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Cornils, Boy, and Emile G. Kuntz. "Typical Reactions." In Multiphase Homogeneous Catalysis, 148–290. Weinheim, Germany: Wiley-VCH Verlag GmbH, 2008. http://dx.doi.org/10.1002/9783527619597.ch2d.

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Gordon, Charles M., and Walter Leitner. "Typical Reactions." In Multiphase Homogeneous Catalysis, 659–733. Weinheim, Germany: Wiley-VCH Verlag GmbH, 2008. http://dx.doi.org/10.1002/9783527619597.ch6d.

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Müller, Christian, and Dieter Vogt. "Typical Reactions." In Multiphase Homogeneous Catalysis, 776–834. Weinheim, Germany: Wiley-VCH Verlag GmbH, 2008. http://dx.doi.org/10.1002/9783527619597.ch7d.

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Kaminsky, W., and R. Kramolowsky. "Homogeneous Catalysts." In Inorganic Reactions and Methods, 309–11. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2007. http://dx.doi.org/10.1002/9780470145319.ch115.

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Dedieu, A. "Wacker Reactions." In Theoretical Aspects of Homogeneous Catalysis, 167–95. Dordrecht: Springer Netherlands, 1995. http://dx.doi.org/10.1007/978-94-011-0475-3_6.

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Britz, Dieter. "Coupled Homogeneous Chemical Reactions." In Digital Simulation in Electrochemistry, 137–58. Berlin, Heidelberg: Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/978-3-662-02549-9_7.

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Brunner, Henri. "Homogeneous Enantioselective Catalysis." In Chiral Reactions in Heterogeneous Catalysis, 29–32. Boston, MA: Springer US, 1995. http://dx.doi.org/10.1007/978-1-4615-1909-6_4.

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Conference papers on the topic "Homogeneous Reactions"

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Zade, Azad Qazi, Metin Renksizbulut, and Jacob Friedman. "Homogeneous Oxidation of Hydrogen in Catalytic Mini/Microchannels." In ASME 2011 9th International Conference on Nanochannels, Microchannels, and Minichannels. ASMEDC, 2011. http://dx.doi.org/10.1115/icnmm2011-58084.

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Gas phase reaction effects in the catalytic oxidation of hydrogen on platinum-coated minichannels and microchannels are investigated numerically in planar geometry. The main objective of this work is to identify the relative importance of the gas phase and surface reactions under different operating conditions. A collocated finite-volume method is used to solve the governing equations. Detailed gas phase and surface reaction mechanisms along with a multi-component diffusion model are used. As the channel size is reduced, heat and radical losses to the walls can significantly alter the combustion behavior. While catalytic walls help in sustaining the gas phase reactions at very small length scales by reducing the heat losses to the walls owing to heat release associated with the surface reactions, they may inhibit homogeneous reactions by extracting radicals due to typically high absorption rates of such species at the walls. Thus, the radical chain mechanisms can be significantly altered by the presence of wall reactions, and the build-up of radical pools in the gas phase, which lead to homogeneous ignition, can be suppressed as a consequence. In the present study, the effects of two key parameters, i.e. channel height and the inlet mass flux on the interaction of gas phase and surface reactions will be explored. In each case, the limiting values beyond which the gas-phase reactions become relatively negligible compared to surface reactions will be identified for hydrogen/air mixtures.
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Marti, M., and Graham Candler. "Effect of chemical reactions on the decay of isotropic homogeneous turbulence." In Fluid Dynamics Conference. Reston, Virigina: American Institute of Aeronautics and Astronautics, 1996. http://dx.doi.org/10.2514/6.1996-2060.

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Bhopatkar, Neelesh S., Heng Ban, and Thomas K. Gale. "Prediction of Mercury Speciation in Coal-Combustion Systems." In ASME 2006 International Mechanical Engineering Congress and Exposition. ASMEDC, 2006. http://dx.doi.org/10.1115/imece2006-15502.

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This study is a part of a comprehensive investigation, to conduct bench-, pilot-, and full-scale experiments and theoretical studies to elucidate the fundamental mechanisms associated with mercury oxidation and capture in coal-fired power plants. The objective was to quantitatively describe the mechanisms governing adsorption, desorption, and oxidation of mercury in coal-fired flue gas carbon, and establish reaction-rate constants based on experimental data. A chemical-kinetic model was developed which consists of homogeneous mercury oxidation reactions as well as heterogeneous mercury adsorption reactions on carbon surfaces. The homogeneous mercury oxidation mechanism has eight reactions for mercury oxidation. The homogeneous mercury oxidation mechanism quantitatively predicts the extent of mercury oxidation for some of datasets obtained from synthetic flue gases. However, the homogeneous mechanism alone consistently under predicts the extent of mercury oxidation in full scale and pilot scale units containing actual flue gas. Heterogeneous reaction mechanisms describe how unburned carbon or activated carbon can effectively remove mercury by adsorbing hydrochloric acid (HCI) to form chlorinated carbon sites, releasing the hydrogen. The elemental mercury may react with chlorinated carbon sites to form sorbed HgCl. Thus mercury is removed from the gas-phase and stays adsorbed on the carbon surface. Predictions using this model have very good agreement with experimental results.
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Ramos Bernal, S., and A. Negrón-Mendoza. "Comparison between the homogeneous and heterogeneous reactions during the radiolysis of aconitic acid." In The 8th Latin American congress on surface science: Surfaces , vacuum, and their applications. AIP, 1996. http://dx.doi.org/10.1063/1.51157.

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Mazumder, Sandip, and Ankan Kumar. "The In Situ Adaptive Tabulation (ISAT) Algorithm for Reacting Flow Computations With Complex Surface Chemistry." In ASME 2013 Heat Transfer Summer Conference collocated with the ASME 2013 7th International Conference on Energy Sustainability and the ASME 2013 11th International Conference on Fuel Cell Science, Engineering and Technology. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/ht2013-17694.

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The In Situ Adaptive Tabulation (ISAT) procedure, originally developed for the efficient computation of homogeneous reactions in chemically reacting flows, is adapted and demonstrated for reacting flow computations with complex heterogeneous (or surface) reactions. The treatment of heterogeneous reactions within a reacting flow calculation requires solution of a set of nonlinear differential algebraic equations at boundary faces/nodes, as opposed to the solution of an initial value problem for which the original ISAT procedure was developed. The modified ISAT algorithm, referred to as ISAT-S, is coupled to a three-dimensional unstructured reacting flow solver, and strategies for maximizing efficiency without hampering accuracy and convergence are developed. These include use of multiple binary tables, use of dynamic tolerance values to control errors, and periodic deletion and/or re-creation of the binary tables. The new procedure is demonstrated for steady-state catalytic combustion of a methane-air mixture on platinum using a 24-step reaction mechanism with 19 species, and for steady-state three-way catalytic conversion using a 61-step mechanism with 34 species. Both reaction mechanisms are first tested in simple 3D channel geometry with reacting walls, and the impact of various ISAT parameters is investigated. As a final step, the catalytic combustion mechanism is demonstrated in a laboratory-scale monolithic catalytic converter geometry with 57 channels discretized using 354,300 control volumes (4.6 million unknowns). For all of the cases considered, the reduction in the time taken to perform surface chemistry calculations alone was found to be a factor of 5–11.
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Chakravorty, Saugata, and Joseph Mathew. "Explicit Filtering LES for Turbulent Non-Premixed Combustion." In ASME/JSME 2007 5th Joint Fluids Engineering Conference. ASMEDC, 2007. http://dx.doi.org/10.1115/fedsm2007-37361.

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Two models for large eddy simulation of turbulent reacting flow in homogeneous turbulence were studied. The sub-grid stress arising out of non-linearities of the Navier-Stokes equations were modeled using an explicit filtering approach. A filtered mass density function (FMDF) approach was used for closure of the sub-grid scalar fluctuations. A posteriori calculations, when compared with the results from the direct numerical simulation, indicate that the explicit filtering is adequate in representing the effect of sub-grid stress on the filtered velocity field in the absence of reaction. Discrepancies arise when reactions occur, but the FMDF approach suffices to account for sub-grid scale fluctuations of the reacting scalars, accurately.
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Zavarzina, A., V. Demin, O. Belova, and A. Lisov. "Differential oxidation of phenolic acids by laccase in homogeneous and heterogeneous systems during humification reactions." In Fifth International Conference of CIS IHSS on Humic Innovative Technologies «Humic substances and living systems». CLUB PRINT ltd., 2019. http://dx.doi.org/10.36291/hit.2019.zavarzina.084.

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Ismail, Nurul Syuhada, Norihan Md Arifin, Norfifah Bachok, and Norhasimah Mahiddin. "The stagnation-point flow towards a shrinking sheet with homogeneous – heterogeneous reactions effects: A stability analysis." In 2ND INTERNATIONAL CONFERENCE AND WORKSHOP ON MATHEMATICAL ANALYSIS 2016 (ICWOMA2016). Author(s), 2017. http://dx.doi.org/10.1063/1.4972153.

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Koltsakis, Grigorios C., Thomas Bollerhoff, Zissis Samaras, and Ioannis Markomanolakis. "Modeling the Interactions Of Soot and SCR Reactions in Advanced DPF Technologies with Non-homogeneous Wall Structure." In SAE 2012 World Congress & Exhibition. 400 Commonwealth Drive, Warrendale, PA, United States: SAE International, 2012. http://dx.doi.org/10.4271/2012-01-1298.

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Kamel, John K., and Samuel Paolucci. "Numerical Simulation of a Chemical Vapor Deposition/Infiltration Reactor." In ASME 2006 International Mechanical Engineering Congress and Exposition. ASMEDC, 2006. http://dx.doi.org/10.1115/imece2006-16039.

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Abstract:
A chemical vapor deposition/infiltration reactor used to manufacture carbon aircraft brakes has been simulated numerically. This simulation accounts for a homogeneous gas reaction mechanism as well as a heterogeneous surface reaction mechanism. Non-Boussinesq equations are used to predict fluid flow, heat transfer, and species concentrations inside the reactor and porous brakes. A time-splitting algorithm is used to overcome stiffness associated with the reactions. A commercial code is used to solve for the convection/diffusion step while an implicit time-integration algorithm is used to solve for the reaction step. Results showing the flow, temperature and concentration fields, as well as the deposition rate of carbon, are presented.
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Reports on the topic "Homogeneous Reactions"

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Kotelenez, Peter. Fluctuations Near Homogeneous States of Chemical Reactions with Diffusion. Fort Belvoir, VA: Defense Technical Information Center, November 1985. http://dx.doi.org/10.21236/ada162875.

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Sawyer, Karma Rae. One- and two-dimensional infrared spectroscopic studies of solution-phase homogeneous catalysis and spin-forbidden reactions. Office of Scientific and Technical Information (OSTI), December 2008. http://dx.doi.org/10.2172/970052.

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Fawcett, W. R., and L. Blum. Estimation of the Outer Sphere Contribution to the Activation Parameters for Homogeneous Electron Transfer Reactions Using the Mean Spherical Approximation. Fort Belvoir, VA: Defense Technical Information Center, November 1991. http://dx.doi.org/10.21236/ada243217.

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Berry, John. Novel Homogeneous Electrocatalysts for the Nitrogen Reduction Reaction. Office of Scientific and Technical Information (OSTI), October 2020. http://dx.doi.org/10.2172/1670696.

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Laine, R. M., B. J. Wood, and G. N. Krishnan. Low temperature, sulfur tolerant homogeneous catalysts for the water-gas shift reaction. Office of Scientific and Technical Information (OSTI), April 1986. http://dx.doi.org/10.2172/7205415.

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Laine, R. M. Low temperature, sulfur tolerant homogeneous catalysts for the water-gas shift reaction. Office of Scientific and Technical Information (OSTI), January 1986. http://dx.doi.org/10.2172/5128236.

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Wilson, Jr, R., M. Asaro, E. Crawford, B. Wood, R. Laine, and R. Schwaar. Low-temperature, sulfur-tolerant homogeneous catalysts for the water-gas shift reaction. Office of Scientific and Technical Information (OSTI), December 1989. http://dx.doi.org/10.2172/7159102.

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J. Helble, Clara Smith, and David Miller. Homogeneous and Heterogeneous Reaction and Transformation of Hg and Trace Metals in Combustion Systems. Office of Scientific and Technical Information (OSTI), August 2009. http://dx.doi.org/10.2172/1004877.

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Laine, R. M., B. J. Wood, and G. N. Krishnan. Low temperature, sulfur tolerant homogeneous catalysts for the water-gas shift reaction. Task 2, Test plan. Office of Scientific and Technical Information (OSTI), April 1986. http://dx.doi.org/10.2172/10161336.

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Laine, R. M. Low temperature, sulfur tolerant homogeneous catalysts for the water-gas shift reaction. Task 1, Topical report No. 1. Office of Scientific and Technical Information (OSTI), January 1986. http://dx.doi.org/10.2172/10162285.

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