Relevant bibliographies by topics / Inverse model catalysts

Academic literature on the topic 'Inverse model catalysts'

Author: Grafiati
Published: 10 December 2022
Last updated: 29 January 2023

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Journal articles on the topic "Inverse model catalysts"

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van Heerden, Tracey, and Eric van Steen. "Metal–support interaction on cobalt based FT catalysts – a DFT study of model inverse catalysts." Faraday Discussions 197 (2017): 87–99. http://dx.doi.org/10.1039/c6fd00201c.

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It is challenging to isolate the effect of metal–support interactions on catalyst reaction performance. In order to overcome this problem, inverse catalysts can be prepared in the laboratory and characterized and tested at relevant conditions. Inverse catalysts are catalysts where the precursor to the catalytically active phase is bonded to a support-like ligand. We can then view the metal–support interaction as a ligand interaction with the support acting as a supra-molecular ligand. Importantly, laboratory studies have shown that these ligands are still present after reduction of the catalyst. By varying the quantity of these ligands present on the surface, insight into the positive effect SMSI have during a reaction is gained. Here, we present a theoretical study of mono-dentate alumina support based ligands, adsorbed on cobalt surfaces. We find that the presence of the ligand may significantly affect the morphology of a cobalt crystallite. With Fischer–Tropsch synthesis in mind, the CO dissociation is used as a probe reaction, with the ligand assisting the dissociation, making it feasible to dissociate CO on the dense fcc Co(111) surface. The nature of the interaction between the ligand and the probe molecule is characterized, showing that the support-like ligands’ metal centre is directly interacting with the probe molecule.
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Tovt, Andrii, Vitalii Stetsovych, Filip Dvořák, Viktor Johánek, and Josef Mysliveček. "Ordered phases of reduced ceria as inverse model catalysts." Applied Surface Science 465 (January 2019): 557–63. http://dx.doi.org/10.1016/j.apsusc.2018.09.068.

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Yan, Ting, Daniel W. Redman, Wen-Yueh Yu, David W. Flaherty, José A. Rodriguez, and C. Buddie Mullins. "CO oxidation on inverse Fe2O3/Au(111) model catalysts." Journal of Catalysis 294 (October 2012): 216–22. http://dx.doi.org/10.1016/j.jcat.2012.07.024.

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Betti, Carolina P., Juan M. Badano, Ivana L. Rivas, Vanina A. Mazzieri, M. Juliana Maccarrone, Fernando Coloma-Pascual, Carlos R. Vera, and Mónica E. Quiroga. "Sulfur Resistance of Pt-W Catalysts." Journal of Chemistry 2013 (2013): 1–8. http://dx.doi.org/10.1155/2013/502014.

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The sulfur resistance of low-loaded monometallic Pt catalysts and bimetallic Pt-W catalysts during the partial selective hydrogenation of styrene, a model compound of Pygas streams, was studied. The effect of metal impregnation sequence on the activity and selectivity was also evaluated. Catalysts were characterized by ICP, TPR, XRD, and XPS techniques. Catalytic tests with sulfur-free and sulfur-doped feeds were performed. All catalysts showed high selectivities (>98%) to ethylbenzene. Activity differences between the catalysts were mainly attributed to electronic effects due to the presence of different electron-rich species of Pt0and electron-deficient species ofPtδ+. Pt0promotes the cleavage of H2whilePtδ+the adsorption of styrene. The catalyst successively impregnated with W and Pt (WPt/Al) was more active and sulfur resistant than the catalyst prepared with an inverse impregnation order (PtW/Al). The higher poison resistance of WPt/Al was attributed to both steric and electronic effects.
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Rosário, Roberta Lopes do, Ronaldo Costa Santos, Alan Silva dos Santos, Alexandre Carvalho, Sylvette Brunet, and Luiz Antônio Magalhães Pontes. "Niobium oxide (Nb2O5) as support for CoMo and NiW catalysts in the hydrodesulfurization reaction of 3-methylthiophene." Research, Society and Development 9, no. 11 (December 2, 2020): e74391110307. http://dx.doi.org/10.33448/rsd-v9i11.10307.

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The efficiency of niobium oxide as catalytic support of hydrodesulfurization (HDS) catalysts (CoMo and NiW) has been investigated in the HDS of a model molecule representative of sulfur compounds present in FCC gasoline (3-methylthiophene: 3MT). The NiW catalyst presented higher catalytic activity than CoMo calcined and non-calcined catalyst, however a better ratio pentane/pentene has been achieved by CoMo catalysts, which implies a lower formation of hydrogenated products. Indeed, the activity order for the catalysts evaluated is: NiW/Nb2O5 > CoMo/Nb2O5 calcined support > CoMo/Nb2O5 non-calcined support, despite the ratio pentane/pentene which has the inverse order. Furthermore, textural and chemical characterization techniques have been performed. From NH3-TPD analysis it was observed an acidity profile with a predominance of weak/strong and weak/moderate acid for CoMo and NiW catalysts, respectively. Meanwhile, the BET analysis has shown a low specific surface area for the catalysts supported by niobium oxide. Concerning the structure characteristic, the XRD analysis has suggested an amorphous phase in all catalysts analyzed.
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Ding, Liangbing, Feng Xiong, Yuekang Jin, Zhengming Wang, Guanghui Sun, and Weixin Huang. "Surface reaction network of CO oxidation on CeO2/Au(110) inverse model catalysts." Physical Chemistry Chemical Physics 18, no. 47 (2016): 32551–59. http://dx.doi.org/10.1039/c6cp05951a.

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Shi, Rui, Mausumi Mahapatra, Jindong Kang, Ivan Orozco, Sanjaya D. Senanayake, and José A. Rodriguez. "Preparation and Structural Characterization of ZrO2/CuOx/Cu(111) Inverse Model Catalysts." Journal of Physical Chemistry C 124, no. 19 (April 17, 2020): 10502–8. http://dx.doi.org/10.1021/acs.jpcc.0c00852.

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Bugyi, László, Imre Szenti, and Zoltán Kónya. "Promotion and inhibition effects of TiOx species on Rh inverse model catalysts." Applied Surface Science 313 (September 2014): 432–39. http://dx.doi.org/10.1016/j.apsusc.2014.05.227.

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Ismagilova, A. S., Z. A. Khamidullina, and S. I. Spivak. "Development and automation of algorithm for determining basis of nonlinear parameter functions of kinetic constants." Kataliz v promyshlennosti 19, no. 4 (July 11, 2019): 252–57. http://dx.doi.org/10.18412/1816-0387-2019-4-252-257.

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Mathematical modeling of catalytic processes is necessary for the complete and accurate description, as well as for controlling the quality and physicochemical studied of catalysts. In the paper, theoretical issues of industrial catalysis are discussed. The work is devoted to theoretical graph analysis of informativity of kinetic parameters of the model of a complex chemical reaction. The aim is the development and automation of algorithm for determining basis of nonlinear parameter functions in solving inverse problems of chemical kinetics in order to define the number and form of independent combinations of rate constants of elementary stages. A program package for analysis of informativity of kinetic parameters of the mathematical model of a complex catalytic reaction is developed and described. The obtained functional relations between the kinetic parameters can be useful for experimentalists in physicochemical interpretation and analysis of mechanisms of chemical reactions. In other words, the proposed method allows independent combinations of kinetic constants to be distinguished that results in shortening the number of the model parameters and, as a consequence, enhance the accuracy of the mathematical model. The mechanism of hydrogen oxidation over a platinum catalyst is given as an example of the use of the software.
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Lackner, Peter, Joong Il Jake Choi, Ulrike Diebold, and Michael Schmid. "Substoichiometric ultrathin zirconia films cause strong metal–support interaction." Journal of Materials Chemistry A 7, no. 43 (2019): 24837–46. http://dx.doi.org/10.1039/c9ta08438j.

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ZrO2/metal inverse model catalysts exhibit the strong metal–support interaction (SMSI) effect. Upon annealing under reducing conditions, an oxygen-deficient, ultrathin ZrO≈1.5 film covers the metal. Nevertheless, Zr retains its 4+ charge state.
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Dissertations / Theses on the topic "Inverse model catalysts"

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Jungius, Hugo. "Model inverse electro-catalyst investigations of metal support interactions." Thesis, University of Southampton, 2017. https://eprints.soton.ac.uk/413849/.

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Gold supported titania nano-particle surfaces have been synthesised in order to understand supported electrochemical mechanisms through an inverse catalyst. The catalyst process investigated was the electro-oxidation of CO which is known to be promoted on Au nano-particles on a titania support. Synthesis proceeded via physical vapour deposition (PVD) of titanium onto a gold surface (both polycrystalline and 111 crystal), followed by alloying and oxidation to form discrete particles of titania on the surface, with variations in density of particles achieved by control of the initial titanium coverages. Scanning tunnelling microscopy (STM) and atomic force microscopy (AFM) measurements indicate these particles develop with consistent triangular and hexagonal shapes, with average diameters of 11.5 and 20 nm observed depending on alloying temperature. The procession of titanium deposition on the gold surface and subsequent alloy formation was followed by X-ray photoelectron spectroscopy (XPS) measurements, with the formation of pure TiO2 revealed once synthesis was complete, with minimal modification to the final electronic state of the underlying gold. Electrochemical testing in an acidic environment provides evidence for alteration of the electrooxidation of CO on these modified gold surfaces. A deactivation of the CO oxidation is observed with initial addition of titania, explained by the blocking of CO adsorption on the surface. This is followed by significant subsequent increases in activity with increasing densities of titania particles, with decreasing over-potential and increasing current density observed as the titania coverage increases. This observed effect on CO oxidation activity with titania coverage in the inverse system provides significant evidence for the action of either reactant spill-over or Ti-Au interface sites as being responsible for the changes in activity observed for titania modified gold systems, whether in the inverse or standard form.
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Macheli, Lebohang. "Inverse model systems to investigate metal-support interactions in Fischer-Tropsch catalysis." Doctoral thesis, Faculty of Engineering and the Built Environment, 2019. http://hdl.handle.net/11427/30921.

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This thesis aims to gain insight into the effects of metal-support interaction in Co/SiO2 catalysts using an inverse model system by modifying Co3O4 nanocrystallites with silanes (i.e. tetraethoxysilane, trimethyl chlorosilane, triphenyl ethoxysilane). It is postulated that the formation of Co-O-Si will alter the catalytic properties of the cobalt site to which silane is bonded and the adjacent ligand-free sites. The desire is to understand the effects of metal support interactions obtained after reduction of the model system on its performance in FischerTropsch synthesis, which was used as a test reaction, taking into account the change in the reducibility and metal surface area. Cobalt oxide was synthesize using sodium dodecylsulphate assisted oxidative precipitation or cobalt carbonyl decomposition and was contacted with the respective silanes in different solvents. The presence of silanes on the surface of cobalt oxide both prior and after reduction was confirmed using infrared spectroscopy. Modification of cobalt oxide with the silanes does not affect the morphology of cobalt oxide nano-crystallite and may have formed silicate islands on the surface of cobalt oxide. The presence of the silane retards the reduction process by changing the activation energy required for the reduction process. The presence of this material on the surface of cobalt decrease the surface area. However, the catalytic activity increased drastically. The interaction of Co3O4 with tetraethoxysilane was manipulated by using different solvents (mixtures) (i.e. anhydrous environment vs acid/base hydrolysing environment). For the modification in anhydrous environment, the formation of silica on the surface of Co3O4 is facilitated by heat treatment. However, in hydrous environment, the formation of silica on the surface of Co3O4 is initiated by the hydrolysis of tetraethoxysilane. The effects of modification using different solvent was tested in the Fischer-Tropsch synthesis. The modification under acid catalysed hydrolysis facilitate the formation of Co-O-Si contact points followed by increase catalytic activity compared to catalysts modified in other solvents. An insight about the effects of calcination on the interaction of silica and cobalt was obtained by calcining a modified sample at different temperatures. Low temperature (573 K) calcination facilitate stronger interactions. The interaction becomes weaker in increasing temperature up to 873 K. Calcination at temperature from 973 K-1173 K result in very strong interaction that leads to the formation of Co2SiO4. To further obtain an enlightenment regarding the electronic effects caused by the modification of cobalt oxide with silane, silanes of different electronic behaviour were used. In addition to electron withdrawing tetraethoxysilane, electron donor silane (triphenyl ethoxysilane and trimethyl chlorosilane) were used to modify the surface of cobalt oxide. While the activity was increased, the product selectivity was altered differently by the different silanes used.
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Benghalem, Mohammed Amine. "Interactions entre morphologies, acidités et diffusion dans les zéolithes beta : éléments de réponse par spectroscopie infrarouge, réactions modèles et chromatographie à flux inversés." Thesis, Poitiers, 2017. http://www.theses.fr/2017POIT2295/document.

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Dans le but d'étudier l'impact de la taille et de la morphologie de cristaux zéolitiques sur les propriétés texturales, chimiques et diffusionnelles, une série de zéolithe beta a été étudiée.L'augmentation logique des surfaces et des volumes poreux avec la diminution de la taille des cristaux est constatée. En outre, cela implique également une baisse de l'acidité globale ainsi que de la force des sites. Toutefois, la compréhension de l'acidité complexe de ces matériaux nécessite des techniques poussées de caractérisation.L'adsorption de molécules sondes (pyridine, CO, éthylène) suivie par infrarouge ainsi que la thermodésorption d'ammoniac ont été corrélées à des réactions modèles de transformation de l'éthanol et de craquage du n-hexane. Lors de celui-ci, la morphologie des cristaux a peu d'influence et les performances sont dictées par les sites de Brønsted. La présence d'aluminiums extra-réseaux permet d'exalter la force acide des sites protoniques. Avec la transformation de l'éthanol, de meilleures activités et stabilités sont observées dans le cas de zéolithes hiérarchisées.L'étude de la diffusion par chromatographie en phase gaz à flux inversées (RF-IGC) a permis de montrer que, si les coefficients de diffusion augmentent à l'opposé de la taille des cristaux, la porosité secondaire réduit le chemin diffusionnel. De plus, les sites faibles majoritairement présents sur les matériaux hiérarchisés facilitent la désorption des molécules et sont impliqués dans les interactions latérales mesurées par RF-IGC.Ce travail apporte donc des éléments de réponse à la stabilité et aux comportements catalytiques complexes observés sur la zéolithe beta
In order to study the impact of the size and morphology of zeolite crystals on the textural, chemical and diffusion properties, a series of beta zeolites was studied.The logical increase of the porous surfaces and volumes with the decrease in crystal size is observed. In addition, this also implies a decrease in the overall acidity as well as strength of the adsorption sites. However, understanding the complex acidity of these materials requires advanced characterization techniques.The adsorption of probe molecules (pyridine, CO, ethylene) followed by infrared as well as ammonia thermodesorption were correlated to model reactions of ethanol conversion and n-hexane cracking. In this case, the morphology of the crystals has little influence and performance is mainly dictated by the Brønsted sites. The presence of extra-framework aluminums makes it possible to exalt the acid strength of the protonic sites. With the transformation of ethanol, better activities and stabilities are observed in the case of hierarchical zeolites.The study of diffusion by the reversed-flow gas chromatography (RF-IGC) showed that if the diffusion coefficients increase as opposed to crystal size, the secondary porosity reduces the diffusion path. Moreover, the weak sites predominantly present on the hierarchized materials facilitate the desorption of the molecules and are involved in the lateral interactions measured by RF-IGC.This work thus provides elements of response to the stability and the complex catalytic behaviors observed on the beta zeolite
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Stetsovych, Vitalii. "Experimentální kontrola koncentrace iontů Ce3+ v modeloých katalyzátorech na bázi oxidu ceru." Doctoral thesis, 2015. http://www.nusl.cz/ntk/nusl-349365.

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Concentration of Ce3+ is one of the most important parameters that influence the reactivity of ceria based catalyst. In this work we examine different experimental approaches for controlling Ce3+ concentration in cerium oxide model catalyst systems such as: i) influencing the stoichiometry of ceria, ii) introducing high valence doping agent, and iii) growing ultra thin ceria films with a strong metal substrate interaction. Structure, morphology and chemical state of prepared reduced ceria based systems were examined by means of surface science techniques: scanning tunneling microscopy, low-energy electron diffraction and X-ray photoelectron spectroscopy. In the present work an original method of ceria film reduction was introduced that allows stepwise control on stoichiometry and degree of film reduction (i). Further we introduce preparation procedures for well-ordered tungsten doped ceria model system (ii) and for the high quality 2D ultrathin ceria system on Cu (1 1 1) (iii). Preparation methods and model systems introduced in this work incorporate different physicochemical principles of Ce3+ induction and provide a variety of model systems useful for examining different effects that diversely prepared Ce3+ ions have on the activity of the catalyst.
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Keresteš, Jiří. "Morfologie modelových katalyzátorů v prostředí elektrolytu." Master's thesis, 2016. http://www.nusl.cz/ntk/nusl-352740.

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The aim of this thesis is preparation of inverse model catalyst CeOx/Pt(111) and its investigation using combination of surface physics methods and electrochemistry. New electrochemical cell was designed and built for electrochemical experiments. CeOx/Pt(111) samples were prepared and studied in UHV using STM and XPS methods. After that, samples were transferred to the electrolyte environment and studied by means of cyclic voltammetry and AFM. For high surface coverage of CeOx, new reaction was observed. We have identified this reaction as a combination of the reduction of cerium(IV) oxide by interaction with hydrogen adsorbed on the Pt(111) surface and oxidation of cerium(III) oxide by dissociative adsorption of water molecules. Powered by TCPDF (www.tcpdf.org)
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Book chapters on the topic "Inverse model catalysts"

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Mohapatra, Ranjita K. "Effect of Inverse Magnetic Catalysis on Conserved Charge Fluctuations in the Hadron Resonance Gas Model." In Springer Proceedings in Physics, 661–69. Singapore: Springer Singapore, 2021. http://dx.doi.org/10.1007/978-981-33-4408-2_91.

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Reichl, Wolfgang, and Konrad Hayek. "“Real” and “inverse” model catalysts for studies of metal-support interactions: CO hydrogenation on titania and vanadia supported Rh." In Studies in Surface Science and Catalysis, 719–24. Elsevier, 2000. http://dx.doi.org/10.1016/s0167-2991(00)81043-5.

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Spivak, S. I., and R. M. Asadullin. "Methods of elimination and the problem of nonuniqueness of inverse problem solutions in models of non-stationary chemical kinetics." In Studies in Surface Science and Catalysis, 577–86. Elsevier, 1997. http://dx.doi.org/10.1016/s0167-2991(97)80448-x.

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Kabadurmus, Fatma Nur Karaman, and Sajal Lahiri. "Role of Credit Constraints on Product Quality." In Technological Integration as a Catalyst for Industrial Development and Economic Growth, 151–88. IGI Global, 2017. http://dx.doi.org/10.4018/978-1-5225-2319-2.ch006.

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We analyze firms' investment on R&D in an imperfectly competitive setting. Our focus is on cost asymmetries in a duopoly model. The baseline model setting assumes firms invest in a quality ladder type of R&D process with probabilistic returns and have to borrow both at the innovation stage and the production stage. We find that if the firm is more efficient than the rival, effort on R&D will decrease less upon facing a common interest rate. We test our theoretical predictions using World Bank's Business Environment and Enterprise Performance Surveys (BEEPS, 2002, 2005) for Turkey.
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Kattel, Rainer, Wolfgang Drechsler, and Erkki Karo. "State of the Debate." In How to Make an Entrepreneurial State, 24–63. Yale University Press, 2022. http://dx.doi.org/10.12987/yale/9780300227277.003.0002.

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This chapter addresses the question of how governments understand innovations and their role in supporting and fostering innovations. It looks at the context of innovation being a policy arena that has been continuously expanding over past decades, particularly since the Global Financial Crisis (GFC) of 2008. Before the GFC, the role of governments in innovation was expanding in the sense of developing ever more complex interventions, primarily to tackle market failures, but after the GFC legitimate expectations have gradually expanded towards governments giving direction to innovation efforts to simultaneously tackle wicked societal challenges and co-create new market opportunities. The chapter highlights the three broad tasks of the US government: to invest in the building blocks of American innovation, to promote competitive markets, and to catalyse breakthroughs. It mentions the Defense Advanced Research Projects Agency organisational model, which was taken as a successful example of how government can support innovation.
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Conference papers on the topic "Inverse model catalysts"

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Shodiya, Titilayo, Wen Peng, and Nico Hotz. "Novel Nano-Scale Au/α-Fe2O3 Catalyst for the Preferential Oxidation of CO in Biofuel Reformate Gas." In ASME 2013 7th International Conference on Energy Sustainability collocated with the ASME 2013 Heat Transfer Summer Conference 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/es2013-18387.

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Au/α-Fe2O3 catalyst was synthesized using a modified co-precipitation method to generate an inverse catalyst model. The effects of introducing CO2 and H2O during preferential oxidation (PROX) of CO were investigated. The goal of this work was ≥99.8% CO conversion at 80°C. There was an increase in the conversion at all temperatures with the introduction of CO2 and 100% of the CO was converted at the target temperature of 80°C for any amount of CO2. Furthermore, there was an increase in conversion to 100% for water fractions ranging from 3% to 10%. Finally, for realistic conditions of (bio-)fuel reforming, 24% CO2 and 10% water, 99.85% conversion was achieved. A long-term test of 200 hours showed no significant deactivation of the catalyst at a temperature of 80°C in presence of 24% CO2 and 3% water. The mechanism for PROX is not known definitively, however, current literature believes the gold particle size is the key. In contrast, we emphasize the tremendous role of the support particle size.
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Pace, Stephen, and Guoming G. Zhu. "Optimal LQ Transient Air-to-Fuel Ratio Control of an Internal Combustion Engine." In ASME 2011 Dynamic Systems and Control Conference and Bath/ASME Symposium on Fluid Power and Motion Control. ASMEDC, 2011. http://dx.doi.org/10.1115/dscc2011-6004.

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Most modern spark ignited (SI) internal combustion engines maintain their air-to-fuel ratio (AFR) at a desired level to maximize the three-way catalyst conversion efficiency and to extend its life. However, maintaining the engine AFR during its transient operation is quite challenging due to rapid changes of driver demands. Conventional transient AFR control is based upon the inverse dynamics of the engine port-fuel-injection well-wetting dynamics and the measured mass air flow rate. This paper develops a dynamic linear quadratic (LQ) tracking controller to regulate the AFR using a control oriented model of the wall wetting dynamics of a port fuel injector (PFI) and estimated transport delays of the airflow travel and throttle dynamics. The LQ tracking controller is designed to optimally track the measured airflow through the throttle during engine transients over a given time interval. The performance of the optimal LQ tracking controller was compared with the conventional inverse fueling dynamics through simulations and showed improvement over the baseline controller.
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Basu, Sumit, Yuan Zheng, and Jay P. Gore. "Chemical Kinetics Parameter Estimation for Ammonia Borane Hydrolysis." In ASME 2008 Heat Transfer Summer Conference collocated with the Fluids Engineering, Energy Sustainability, and 3rd Energy Nanotechnology Conferences. ASMEDC, 2008. http://dx.doi.org/10.1115/ht2008-56139.

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Onboard hydrogen storage is an enabling factor in the development of fuel cell powered passenger cars. Ammonia borane (AB) hydrolysis is one of the potential technologies for onboard hydrogen storage. In this study, kinetics of catalyzed ammonia borane hydrolysis using ruthenium-supported-on-carbon has been measured. For reacting flows, chemical kinetics determines the rates of heat generation and species production or consumption in the overall energy and mass balances respectively. Kinetic measurements under isothermal conditions provide critical data for the design of hydrolysis reactors. It is, however, not always possible to eliminate the effects of internal diffusion in a heterogeneous chemical reaction. In such cases, the reaction efficiency (η), which depends on the effective liquid phase diffusivity (Deff) in the catalyst medium, should be determined. Determination of intrinsic kinetic parameters using apparent kinetics data is, thus, a challenge. In this study, the change in AB concentration (CAB) with reaction time (t) has been directly measured. It was observed that the AB hydrolysis reaction had orders between zero and one in a temperature range of 26°C to 55°C. A unified Langmuir-Hinshelwood (LH) model has been adopted to describe the reaction kinetics. The intrinsic kinetic parameters (A, Ea, ΔHads, K0) as well as Deff need to be estimated by inverse analysis of the measured CAB vs t data. Conventionally, kinetic parameters are determined using linear fitting. Sometimes, however, it is impossible to converge to a unique value by using the linear fitting approach as there are several values providing regression coefficients greater than 0.99. In this study, the multiple-variable inverse problem has been solved using a nonlinear fitting algorithm based on Powell’s conjugate-gradient error minimization. This algorithm minimizes errors without using derivatives. As a result, the uncertainties in the kinetic parameter estimation have been significantly reduced by the new approach.
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