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Sample records for maximum reaction efficiency

  1. Emf, maximum power and efficiency of fuel cells

    International Nuclear Information System (INIS)

    Gaggioli, R.A.; Dunbar, W.R.

    1990-01-01

    This paper discusses the ideal voltage of steady-flow fuel cells usually expressed by Emf = -ΔG/nF where ΔG is the Gibbs free energy of reaction for the oxidation of the fuel at the supposed temperature of operation of the cell. Furthermore, the ideal power of the cell is expressed as the product of the fuel flow rate with this emf, and the efficiency of a real fuel cell, sometimes called the Gibbs efficiency, is defined as the ratio of the actual power output to this ideal power. Such viewpoints are flawed in several respects. While it is true that if a cell operates isothermally the maximum conceivable work output is equal to the difference between the Gibbs free energy of the incoming reactants and that of the leaving products, nevertheless, even if the cell operates isothermally, the use of the conventional ΔG of reaction assumes that the products of reaction leave separately from one another (and from any unused fuel), and when ΔS of reaction is positive it assumes that a free heat source exists at the operating temperature, whereas if ΔS is negative it neglects the potential power which theoretically could be obtained form the heat released during oxidation. Moreover, the usual cell does not operate isothermally but (virtually) adiabatically

  2. Maximum Principles for Discrete and Semidiscrete Reaction-Diffusion Equation

    Directory of Open Access Journals (Sweden)

    Petr Stehlík

    2015-01-01

    Full Text Available We study reaction-diffusion equations with a general reaction function f on one-dimensional lattices with continuous or discrete time ux′  (or  Δtux=k(ux-1-2ux+ux+1+f(ux, x∈Z. We prove weak and strong maximum and minimum principles for corresponding initial-boundary value problems. Whereas the maximum principles in the semidiscrete case (continuous time exhibit similar features to those of fully continuous reaction-diffusion model, in the discrete case the weak maximum principle holds for a smaller class of functions and the strong maximum principle is valid in a weaker sense. We describe in detail how the validity of maximum principles depends on the nonlinearity and the time step. We illustrate our results on the Nagumo equation with the bistable nonlinearity.

  3. ReactionMap: an efficient atom-mapping algorithm for chemical reactions.

    Science.gov (United States)

    Fooshee, David; Andronico, Alessio; Baldi, Pierre

    2013-11-25

    Large databases of chemical reactions provide new data-mining opportunities and challenges. Key challenges result from the imperfect quality of the data and the fact that many of these reactions are not properly balanced or atom-mapped. Here, we describe ReactionMap, an efficient atom-mapping algorithm. Our approach uses a combination of maximum common chemical subgraph search and minimization of an assignment cost function derived empirically from training data. We use a set of over 259,000 balanced atom-mapped reactions from the SPRESI commercial database to train the system, and we validate it on random sets of 1000 and 17,996 reactions sampled from this pool. These large test sets represent a broad range of chemical reaction types, and ReactionMap correctly maps about 99% of the atoms and about 96% of the reactions, with a mean time per mapping of 2 s. Most correctly mapped reactions are mapped with high confidence. Mapping accuracy compares favorably with ChemAxon's AutoMapper, versions 5 and 6.1, and the DREAM Web tool. These approaches correctly map 60.7%, 86.5%, and 90.3% of the reactions, respectively, on the same data set. A ReactionMap server is available on the ChemDB Web portal at http://cdb.ics.uci.edu .

  4. Efficiency of autonomous soft nanomachines at maximum power.

    Science.gov (United States)

    Seifert, Udo

    2011-01-14

    We consider nanosized artificial or biological machines working in steady state enforced by imposing nonequilibrium concentrations of solutes or by applying external forces, torques, or electric fields. For unicyclic and strongly coupled multicyclic machines, efficiency at maximum power is not bounded by the linear response value 1/2. For strong driving, it can even approach the thermodynamic limit 1. Quite generally, such machines fall into three different classes characterized, respectively, as "strong and efficient," "strong and inefficient," and "balanced." For weakly coupled multicyclic machines, efficiency at maximum power has lost any universality even in the linear response regime.

  5. Limitations of the Weissler reaction as a model reaction for measuring the efficiency of hydrodynamic cavitation.

    Science.gov (United States)

    Morison, K R; Hutchinson, C A

    2009-01-01

    The Weissler reaction in which iodide is oxidised to a tri-iodide complex (I(3)(-)) has been widely used for measurement of the intensity of ultrasonic and hydrodynamic cavitation. It was used in this work to compare ultrasonic cavitation at 24 kHz with hydrodynamic cavitation using two different devices, one a venturi and the other a sudden expansion, operated up to 8.7 bar. Hydrodynamic cavitation had a maximum efficiency of about 5 x 10(-11) moles of I(3)(-) per joule of energy compared with the maximum of almost 8 x 10(-11) mol J(-1) for ultrasonic cavitation. Hydrodynamic cavitation was found to be most effective at 10 degrees C compared with 20 degrees C and 30 degrees C and at higher upstream pressures. However, it was found that in hydrodynamic conditions, even without cavitation, I(3)(-) was consumed at a rapid rate leading to an equilibrium concentration. It was concluded that the Weissler reaction was not a good model reaction for the assessment of the effectiveness of hydrodynamic cavitation.

  6. Size dependence of efficiency at maximum power of heat engine

    KAUST Repository

    Izumida, Y.; Ito, N.

    2013-01-01

    We perform a molecular dynamics computer simulation of a heat engine model to study how the engine size difference affects its performance. Upon tactically increasing the size of the model anisotropically, we determine that there exists an optimum size at which the model attains the maximum power for the shortest working period. This optimum size locates between the ballistic heat transport region and the diffusive heat transport one. We also study the size dependence of the efficiency at the maximum power. Interestingly, we find that the efficiency at the maximum power around the optimum size attains a value that has been proposed as a universal upper bound, and it even begins to exceed the bound as the size further increases. We explain this behavior of the efficiency at maximum power by using a linear response theory for the heat engine operating under a finite working period, which naturally extends the low-dissipation Carnot cycle model [M. Esposito, R. Kawai, K. Lindenberg, C. Van den Broeck, Phys. Rev. Lett. 105, 150603 (2010)]. The theory also shows that the efficiency at the maximum power under an extreme condition may reach the Carnot efficiency in principle.© EDP Sciences Società Italiana di Fisica Springer-Verlag 2013.

  7. Size dependence of efficiency at maximum power of heat engine

    KAUST Repository

    Izumida, Y.

    2013-10-01

    We perform a molecular dynamics computer simulation of a heat engine model to study how the engine size difference affects its performance. Upon tactically increasing the size of the model anisotropically, we determine that there exists an optimum size at which the model attains the maximum power for the shortest working period. This optimum size locates between the ballistic heat transport region and the diffusive heat transport one. We also study the size dependence of the efficiency at the maximum power. Interestingly, we find that the efficiency at the maximum power around the optimum size attains a value that has been proposed as a universal upper bound, and it even begins to exceed the bound as the size further increases. We explain this behavior of the efficiency at maximum power by using a linear response theory for the heat engine operating under a finite working period, which naturally extends the low-dissipation Carnot cycle model [M. Esposito, R. Kawai, K. Lindenberg, C. Van den Broeck, Phys. Rev. Lett. 105, 150603 (2010)]. The theory also shows that the efficiency at the maximum power under an extreme condition may reach the Carnot efficiency in principle.© EDP Sciences Società Italiana di Fisica Springer-Verlag 2013.

  8. Design and optimization of automotive thermoelectric generators for maximum fuel efficiency improvement

    International Nuclear Information System (INIS)

    Kempf, Nicholas; Zhang, Yanliang

    2016-01-01

    Highlights: • A three-dimensional automotive thermoelectric generator (TEG) model is developed. • Heat exchanger design and TEG configuration are optimized for maximum fuel efficiency increase. • Heat exchanger conductivity has a strong influence on maximum fuel efficiency increase. • TEG aspect ratio and fin height increase with heat exchanger thermal conductivity. • A 2.5% fuel efficiency increase is attainable with nanostructured half-Heusler modules. - Abstract: Automotive fuel efficiency can be increased by thermoelectric power generation using exhaust waste heat. A high-temperature thermoelectric generator (TEG) that converts engine exhaust waste heat into electricity is simulated based on a light-duty passenger vehicle with a 4-cylinder gasoline engine. Strategies to optimize TEG configuration and heat exchanger design for maximum fuel efficiency improvement are provided. Through comparison of stainless steel and silicon carbide heat exchangers, it is found that both the optimal TEG design and the maximum fuel efficiency increase are highly dependent on the thermal conductivity of the heat exchanger material. Significantly higher fuel efficiency increase can be obtained using silicon carbide heat exchangers at taller fins and a longer TEG along the exhaust flow direction when compared to stainless steel heat exchangers. Accounting for major parasitic losses, a maximum fuel efficiency increase of 2.5% is achievable using newly developed nanostructured bulk half-Heusler thermoelectric modules.

  9. Cascade enzymatic reactions for efficient carbon sequestration.

    Science.gov (United States)

    Xia, Shunxiang; Zhao, Xueyan; Frigo-Vaz, Benjamin; Zheng, Wenyun; Kim, Jungbae; Wang, Ping

    2015-04-01

    Thermochemical processes developed for carbon capture and storage (CCS) offer high carbon capture capacities, but are generally hampered by low energy efficiency. Reversible cascade enzyme reactions are examined in this work for energy-efficient carbon sequestration. By integrating the reactions of two key enzymes of RTCA cycle, isocitrate dehydrogenase and aconitase, we demonstrate that intensified carbon capture can be realized through such cascade enzymatic reactions. Experiments show that enhanced thermodynamic driving force for carbon conversion can be attained via pH control under ambient conditions, and that the cascade reactions have the potential to capture 0.5 mol carbon at pH 6 for each mole of substrate applied. Overall it manifests that the carbon capture capacity of biocatalytic reactions, in addition to be energy efficient, can also be ultimately intensified to approach those realized with chemical absorbents such as MEA. Copyright © 2015 Elsevier Ltd. All rights reserved.

  10. Design of Asymmetrical Relay Resonators for Maximum Efficiency of Wireless Power Transfer

    Directory of Open Access Journals (Sweden)

    Bo-Hee Choi

    2016-01-01

    Full Text Available This paper presents a new design method of asymmetrical relay resonators for maximum wireless power transfer. A new design method for relay resonators is demanded because maximum power transfer efficiency (PTE is not obtained at the resonant frequency of unit resonator. The maximum PTE for relay resonators is obtained at the different resonances of unit resonator. The optimum design of asymmetrical relay is conducted by both the optimum placement and the optimum capacitance of resonators. The optimum placement is found by scanning the positions of the relays and optimum capacitance can be found by using genetic algorithm (GA. The PTEs are enhanced when capacitance is optimally designed by GA according to the position of relays, respectively, and then maximum efficiency is obtained at the optimum placement of relays. The capacitance of the second resonator to nth resonator and the load resistance should be determined for maximum efficiency while the capacitance of the first resonator and the source resistance are obtained for the impedance matching. The simulated and measured results are in good agreement.

  11. Parametric characteristics of a solar thermophotovoltaic system at the maximum efficiency

    International Nuclear Information System (INIS)

    Liao, Tianjun; Chen, Xiaohang; Yang, Zhimin; Lin, Bihong; Chen, Jincan

    2016-01-01

    Graphical abstract: A model of the far-field TPVC driven by solar energy, which consists of an optical concentrator, an absorber, an emitter, and a PV cell and is simply referred as to the far-field STPVS. - Highlights: • A model of the far-field solar thermophotovoltaic system (STPVS) is established. • External and internal irreversible losses are considered. • The maximum efficiency of the STPVS is calculated. • Optimal values of key parameters at the maximum efficiency are determined. • Effects of the concentrator factor on the performance of the system are discussed. - Abstract: A model of the solar thermophotovoltaic system (STPVS) consisting of an optical concentrator, a thermal absorber, an emitter, and a photovoltaic (PV) cell is proposed, where the far-field thermal emission between the emitter and the PV cell, the radiation losses from the absorber and emitter to the environment, the reflected loss from the absorber, and the finite-rate heat exchange between the PV cell and the environment are taken into account. Analytical expressions for the power output of and overall efficiency of the STPVS are derived. By solving thermal equilibrium equations, the operating temperatures of the emitter and PV cell are determined and the maximum efficiency of the system is calculated numerically for given values of the output voltage of the PV cell and the ratio of the front surface area of the absorber to that of the emitter. For different bandgaps, the maximum efficiencies of the system are calculated and the corresponding optimum values of several operating parameters are obtained. The effects of the concentrator factor on the optimum performance of the system are also discussed.

  12. Analysis of reaction schemes using maximum rates of constituent steps

    Science.gov (United States)

    Motagamwala, Ali Hussain; Dumesic, James A.

    2016-01-01

    We show that the steady-state kinetics of a chemical reaction can be analyzed analytically in terms of proposed reaction schemes composed of series of steps with stoichiometric numbers equal to unity by calculating the maximum rates of the constituent steps, rmax,i, assuming that all of the remaining steps are quasi-equilibrated. Analytical expressions can be derived in terms of rmax,i to calculate degrees of rate control for each step to determine the extent to which each step controls the rate of the overall stoichiometric reaction. The values of rmax,i can be used to predict the rate of the overall stoichiometric reaction, making it possible to estimate the observed reaction kinetics. This approach can be used for catalytic reactions to identify transition states and adsorbed species that are important in controlling catalyst performance, such that detailed calculations using electronic structure calculations (e.g., density functional theory) can be carried out for these species, whereas more approximate methods (e.g., scaling relations) are used for the remaining species. This approach to assess the feasibility of proposed reaction schemes is exact for reaction schemes where the stoichiometric coefficients of the constituent steps are equal to unity and the most abundant adsorbed species are in quasi-equilibrium with the gas phase and can be used in an approximate manner to probe the performance of more general reaction schemes, followed by more detailed analyses using full microkinetic models to determine the surface coverages by adsorbed species and the degrees of rate control of the elementary steps. PMID:27162366

  13. Combustion phasing for maximum efficiency for conventional and high efficiency engines

    International Nuclear Information System (INIS)

    Caton, Jerald A.

    2014-01-01

    Highlights: • Combustion phasing for max efficiency is a function of engine parameters. • Combustion phasing is most affected by heat transfer, compression ratio, burn duration. • Combustion phasing is less affected by speed, load, equivalence ratio and EGR. • Combustion phasing for a high efficiency engine was more advanced. • Exergy destruction during combustion as functions of combustion phasing is reported. - Abstract: The importance of the phasing of the combustion event for internal-combustion engines is well appreciated, but quantitative details are sparse. The objective of the current work was to examine the optimum combustion phasing (based on maximum bmep) as functions of engine design and operating variables. A thermodynamic, engine cycle simulation was used to complete this assessment. As metrics for the combustion phasing, both the crank angle for 50% fuel mass burned (CA 50 ) and the crank angle for peak pressure (CA pp ) are reported as functions of the engine variables. In contrast to common statements in the literature, the optimum CA 50 and CA pp vary depending on the design and operating variables. Optimum, as used in this paper, refers to the combustion timing that provides the maximum bmep and brake thermal efficiency (MBT timing). For this work, the variables with the greatest influence on the optimum CA 50 and CA pp were the heat transfer level, the burn duration and the compression ratio. Other variables such as equivalence ratio, EGR level, engine speed and engine load had a much smaller impact on the optimum CA 50 and CA pp . For the conventional engine, for the conditions examined, the optimum CA 50 varied between about 5 and 11°aTDC, and the optimum CA pp varied between about 9 and 16°aTDC. For a high efficiency engine (high dilution, high compression ratio), the optimum CA 50 was 2.5°aTDC, and the optimum CA pp was 7.8°aTDC. These more advanced values for the optimum CA 50 and CA pp for the high efficiency engine were

  14. Efficient heuristics for maximum common substructure search.

    Science.gov (United States)

    Englert, Péter; Kovács, Péter

    2015-05-26

    Maximum common substructure search is a computationally hard optimization problem with diverse applications in the field of cheminformatics, including similarity search, lead optimization, molecule alignment, and clustering. Most of these applications have strict constraints on running time, so heuristic methods are often preferred. However, the development of an algorithm that is both fast enough and accurate enough for most practical purposes is still a challenge. Moreover, in some applications, the quality of a common substructure depends not only on its size but also on various topological features of the one-to-one atom correspondence it defines. Two state-of-the-art heuristic algorithms for finding maximum common substructures have been implemented at ChemAxon Ltd., and effective heuristics have been developed to improve both their efficiency and the relevance of the atom mappings they provide. The implementations have been thoroughly evaluated and compared with existing solutions (KCOMBU and Indigo). The heuristics have been found to greatly improve the performance and applicability of the algorithms. The purpose of this paper is to introduce the applied methods and present the experimental results.

  15. Maximum Efficiency per Torque Control of Permanent-Magnet Synchronous Machines

    Directory of Open Access Journals (Sweden)

    Qingbo Guo

    2016-12-01

    Full Text Available High-efficiency permanent-magnet synchronous machine (PMSM drive systems need not only optimally designed motors but also efficiency-oriented control strategies. However, the existing control strategies only focus on partial loss optimization. This paper proposes a novel analytic loss model of PMSM in either sine-wave pulse-width modulation (SPWM or space vector pulse width modulation (SVPWM which can take into account both the fundamental loss and harmonic loss. The fundamental loss is divided into fundamental copper loss and fundamental iron loss which is estimated by the average flux density in the stator tooth and yoke. In addition, the harmonic loss is obtained from the Bertotti iron loss formula by the harmonic voltages of the three-phase inverter in either SPWM or SVPWM which are calculated by double Fourier integral analysis. Based on the analytic loss model, this paper proposes a maximum efficiency per torque (MEPT control strategy which can minimize the electromagnetic loss of PMSM in the whole operation range. As the loss model of PMSM is too complicated to obtain the analytical solution of optimal loss, a golden section method is applied to achieve the optimal operation point accurately, which can make PMSM work at maximum efficiency. The optimized results between SPWM and SVPWM show that the MEPT in SVPWM has a better effect on the optimization performance. Both the theory analysis and experiment results show that the MEPT control can significantly improve the efficiency performance of the PMSM in each operation condition with a satisfied dynamic performance.

  16. Theoretical and experimental studies of the efficiency of a solid-state track detector utilizing (neutron, alpha) reactions

    International Nuclear Information System (INIS)

    Palfalvi, J.

    1983-04-01

    The neutron sensitivity of Kodak-Pathe LR 115 II type cellulose nitrate track detectors with different (n,α) radiators was investigated by calculations and measurements. The α counting efficiency using an optical microscope is 95% for α particles with maximum energy of 2 MeV. When using an image analyzer the etched through-tracks (holes) with diameters greater than 2 μm are counted. The efficiency then depends only on the original and removed layer thickness but not on the etching temperature within the range of 40 to 60 deg C and the 2.5 to 6 N normality of the NaOH etchant. Efficiency varies from about 3 to 20% for alphas from the 6 Li/n, +a/T reaction if the removed layer lies in the range of 7 to 10 μm, and varies from 2 to 10% for 10 B/n, α/ 7 Li reaction alphas when the layer re--moval is 8 to 10 μm. (author)

  17. Statistical Significance of the Maximum Hardness Principle Applied to Some Selected Chemical Reactions.

    Science.gov (United States)

    Saha, Ranajit; Pan, Sudip; Chattaraj, Pratim K

    2016-11-05

    The validity of the maximum hardness principle (MHP) is tested in the cases of 50 chemical reactions, most of which are organic in nature and exhibit anomeric effect. To explore the effect of the level of theory on the validity of MHP in an exothermic reaction, B3LYP/6-311++G(2df,3pd) and LC-BLYP/6-311++G(2df,3pd) (def2-QZVP for iodine and mercury) levels are employed. Different approximations like the geometric mean of hardness and combined hardness are considered in case there are multiple reactants and/or products. It is observed that, based on the geometric mean of hardness, while 82% of the studied reactions obey the MHP at the B3LYP level, 84% of the reactions follow this rule at the LC-BLYP level. Most of the reactions possess the hardest species on the product side. A 50% null hypothesis is rejected at a 1% level of significance.

  18. Maximum Torque and Momentum Envelopes for Reaction Wheel Arrays

    Science.gov (United States)

    Markley, F. Landis; Reynolds, Reid G.; Liu, Frank X.; Lebsock, Kenneth L.

    2009-01-01

    Spacecraft reaction wheel maneuvers are limited by the maximum torque and/or angular momentum that the wheels can provide. For an n-wheel configuration, the torque or momentum envelope can be obtained by projecting the n-dimensional hypercube, representing the domain boundary of individual wheel torques or momenta, into three dimensional space via the 3xn matrix of wheel axes. In this paper, the properties of the projected hypercube are discussed, and algorithms are proposed for determining this maximal torque or momentum envelope for general wheel configurations. Practical strategies for distributing a prescribed torque or momentum among the n wheels are presented, with special emphasis on configurations of four, five, and six wheels.

  19. Relations between the efficiency, power and dissipation for linear irreversible heat engine at maximum trade-off figure of merit

    Science.gov (United States)

    Iyyappan, I.; Ponmurugan, M.

    2018-03-01

    A trade of figure of merit (\\dotΩ ) criterion accounts the best compromise between the useful input energy and the lost input energy of the heat devices. When the heat engine is working at maximum \\dotΩ criterion its efficiency increases significantly from the efficiency at maximum power. We derive the general relations between the power, efficiency at maximum \\dotΩ criterion and minimum dissipation for the linear irreversible heat engine. The efficiency at maximum \\dotΩ criterion has the lower bound \

  20. Continuity and boundary conditions in thermodynamics: From Carnot's efficiency to efficiencies at maximum power

    Science.gov (United States)

    Ouerdane, H.; Apertet, Y.; Goupil, C.; Lecoeur, Ph.

    2015-07-01

    Classical equilibrium thermodynamics is a theory of principles, which was built from empirical knowledge and debates on the nature and the use of heat as a means to produce motive power. By the beginning of the 20th century, the principles of thermodynamics were summarized into the so-called four laws, which were, as it turns out, definitive negative answers to the doomed quests for perpetual motion machines. As a matter of fact, one result of Sadi Carnot's work was precisely that the heat-to-work conversion process is fundamentally limited; as such, it is considered as a first version of the second law of thermodynamics. Although it was derived from Carnot's unrealistic model, the upper bound on the thermodynamic conversion efficiency, known as the Carnot efficiency, became a paradigm as the next target after the failure of the perpetual motion ideal. In the 1950's, Jacques Yvon published a conference paper containing the necessary ingredients for a new class of models, and even a formula, not so different from that of Carnot's efficiency, which later would become the new efficiency reference. Yvon's first analysis of a model of engine producing power, connected to heat source and sink through heat exchangers, went fairly unnoticed for twenty years, until Frank Curzon and Boye Ahlborn published their pedagogical paper about the effect of finite heat transfer on output power limitation and their derivation of the efficiency at maximum power, now mostly known as the Curzon-Ahlborn (CA) efficiency. The notion of finite rate explicitly introduced time in thermodynamics, and its significance cannot be overlooked as shown by the wealth of works devoted to what is now known as finite-time thermodynamics since the end of the 1970's. The favorable comparison of the CA efficiency to actual values led many to consider it as a universal upper bound for real heat engines, but things are not so straightforward that a simple formula may account for a variety of situations. The

  1. Discrete maximum principle for FE solutions of the diffusion-reaction problem on prismatic meshes

    Czech Academy of Sciences Publication Activity Database

    Hannukainen, A.; Korotov, S.; Vejchodský, Tomáš

    2009-01-01

    Roč. 226, č. 2 (2009), s. 275-287 ISSN 0377-0427 R&D Projects: GA AV ČR IAA100760702 Institutional research plan: CEZ:AV0Z10190503 Keywords : diffusion-reaction problem * maximum principle * prismatic finite elements Subject RIV: BA - General Mathematics Impact factor: 1.292, year: 2009

  2. An Efficient Algorithm for the Maximum Distance Problem

    Directory of Open Access Journals (Sweden)

    Gabrielle Assunta Grün

    2001-12-01

    Full Text Available Efficient algorithms for temporal reasoning are essential in knowledge-based systems. This is central in many areas of Artificial Intelligence including scheduling, planning, plan recognition, and natural language understanding. As such, scalability is a crucial consideration in temporal reasoning. While reasoning in the interval algebra is NP-complete, reasoning in the less expressive point algebra is tractable. In this paper, we explore an extension to the work of Gerevini and Schubert which is based on the point algebra. In their seminal framework, temporal relations are expressed as a directed acyclic graph partitioned into chains and supported by a metagraph data structure, where time points or events are represented by vertices, and directed edges are labelled with < or ≤. They are interested in fast algorithms for determining the strongest relation between two events. They begin by developing fast algorithms for the case where all points lie on a chain. In this paper, we are interested in a generalization of this, namely we consider the problem of finding the maximum ``distance'' between two vertices in a chain ; this problem arises in real world applications such as in process control and crew scheduling. We describe an O(n time preprocessing algorithm for the maximum distance problem on chains. It allows queries for the maximum number of < edges between two vertices to be answered in O(1 time. This matches the performance of the algorithm of Gerevini and Schubert for determining the strongest relation holding between two vertices in a chain.

  3. An efficient forward–reverse expectation-maximization algorithm for statistical inference in stochastic reaction networks

    KAUST Repository

    Bayer, Christian

    2016-02-20

    © 2016 Taylor & Francis Group, LLC. ABSTRACT: In this work, we present an extension of the forward–reverse representation introduced by Bayer and Schoenmakers (Annals of Applied Probability, 24(5):1994–2032, 2014) to the context of stochastic reaction networks (SRNs). We apply this stochastic representation to the computation of efficient approximations of expected values of functionals of SRN bridges, that is, SRNs conditional on their values in the extremes of given time intervals. We then employ this SRN bridge-generation technique to the statistical inference problem of approximating reaction propensities based on discretely observed data. To this end, we introduce a two-phase iterative inference method in which, during phase I, we solve a set of deterministic optimization problems where the SRNs are replaced by their reaction-rate ordinary differential equations approximation; then, during phase II, we apply the Monte Carlo version of the expectation-maximization algorithm to the phase I output. By selecting a set of overdispersed seeds as initial points in phase I, the output of parallel runs from our two-phase method is a cluster of approximate maximum likelihood estimates. Our results are supported by numerical examples.

  4. An efficient forward-reverse expectation-maximization algorithm for statistical inference in stochastic reaction networks

    KAUST Repository

    Vilanova, Pedro

    2016-01-07

    In this work, we present an extension of the forward-reverse representation introduced in Simulation of forward-reverse stochastic representations for conditional diffusions , a 2014 paper by Bayer and Schoenmakers to the context of stochastic reaction networks (SRNs). We apply this stochastic representation to the computation of efficient approximations of expected values of functionals of SRN bridges, i.e., SRNs conditional on their values in the extremes of given time-intervals. We then employ this SRN bridge-generation technique to the statistical inference problem of approximating reaction propensities based on discretely observed data. To this end, we introduce a two-phase iterative inference method in which, during phase I, we solve a set of deterministic optimization problems where the SRNs are replaced by their reaction-rate ordinary differential equations approximation; then, during phase II, we apply the Monte Carlo version of the Expectation-Maximization algorithm to the phase I output. By selecting a set of over-dispersed seeds as initial points in phase I, the output of parallel runs from our two-phase method is a cluster of approximate maximum likelihood estimates. Our results are supported by numerical examples.

  5. Energy-Efficient Algorithm for Sensor Networks with Non-Uniform Maximum Transmission Range

    Directory of Open Access Journals (Sweden)

    Yimin Yu

    2011-06-01

    Full Text Available In wireless sensor networks (WSNs, the energy hole problem is a key factor affecting the network lifetime. In a circular multi-hop sensor network (modeled as concentric coronas, the optimal transmission ranges of all coronas can effectively improve network lifetime. In this paper, we investigate WSNs with non-uniform maximum transmission ranges, where sensor nodes deployed in different regions may differ in their maximum transmission range. Then, we propose an Energy-efficient algorithm for Non-uniform Maximum Transmission range (ENMT, which can search approximate optimal transmission ranges of all coronas in order to prolong network lifetime. Furthermore, the simulation results indicate that ENMT performs better than other algorithms.

  6. Performance characteristics and parametric choices of a solar thermophotovoltaic cell at the maximum efficiency

    International Nuclear Information System (INIS)

    Dong, Qingchun; Liao, Tianjun; Yang, Zhimin; Chen, Xiaohang; Chen, Jincan

    2017-01-01

    Graphical abstract: The overall model of the solar thermophotovoltaic cell (STPVC) composed of an optical lens, an absorber, an emitter, and a photovoltaic (PV) cell with an integrated back-side reflector is updated to include various irreversible losses. - Highlights: • A new model of the irreversible solar thermophotovoltaic system is proposed. • The material and structure parameters of the system are considered. • The performance characteristics at the maximum efficiency are revealed. • The optimal values of key parameters are determined. • The system can obtain a large efficiency under a relative low concentration ratio. - Abstract: The overall model of the solar thermophotovoltaic cell (STPVC) composed of an optical lens, an absorber, an emitter, and a photovoltaic (PV) cell with an integrated back-side reflector is updated to include various irreversible losses. The power output and efficiency of the cell are analytically derived. The performance characteristics of the STPVC at the maximum efficiency are revealed. The optimum values of several important parameters, such as the voltage output of the PV cell, the area ratio of the absorber to the emitter, and the band-gap of the semiconductor material, are determined. It is found that under the condition of a relative low concentration ratio, the optimally designed STPVC can obtain a relative large efficiency.

  7. Design of a wind turbine rotor for maximum aerodynamic efficiency

    DEFF Research Database (Denmark)

    Johansen, Jeppe; Aagaard Madsen, Helge; Gaunaa, Mac

    2009-01-01

    The design of a three-bladed wind turbine rotor is described, where the main focus has been highest possible mechanical power coefficient, CP, at a single operational condition. Structural, as well as off-design, issues are not considered, leading to a purely theoretical design for investigating...... maximum aerodynamic efficiency. The rotor is designed assuming constant induction for most of the blade span, but near the tip region, a constant load is assumed instead. The rotor design is obtained using an actuator disc model, and is subsequently verified using both a free-wake lifting line method...

  8. Hierarchical Load Tracking Control of a Grid-Connected Solid Oxide Fuel Cell for Maximum Electrical Efficiency Operation

    Directory of Open Access Journals (Sweden)

    Yonghui Li

    2015-03-01

    Full Text Available Based on the benchmark solid oxide fuel cell (SOFC dynamic model for power system studies and the analysis of the SOFC operating conditions, the nonlinear programming (NLP optimization method was used to determine the maximum electrical efficiency of the grid-connected SOFC subject to the constraints of fuel utilization factor, stack temperature and output active power. The optimal operating conditions of the grid-connected SOFC were obtained by solving the NLP problem considering the power consumed by the air compressor. With the optimal operating conditions of the SOFC for the maximum efficiency operation obtained at different active power output levels, a hierarchical load tracking control scheme for the grid-connected SOFC was proposed to realize the maximum electrical efficiency operation with the stack temperature bounded. The hierarchical control scheme consists of a fast active power control and a slower stack temperature control. The active power control was developed by using a decentralized control method. The efficiency of the proposed hierarchical control scheme was demonstrated by case studies using the benchmark SOFC dynamic model.

  9. Efficiency of Photovoltaic Maximum Power Point Tracking Controller Based on a Fuzzy Logic

    Directory of Open Access Journals (Sweden)

    Ammar Al-Gizi

    2017-07-01

    Full Text Available This paper examines the efficiency of a fuzzy logic control (FLC based maximum power point tracking (MPPT of a photovoltaic (PV system under variable climate conditions and connected load requirements. The PV system including a PV module BP SX150S, buck-boost DC-DC converter, MPPT, and a resistive load is modeled and simulated using Matlab/Simulink package. In order to compare the performance of FLC-based MPPT controller with the conventional perturb and observe (P&O method at different irradiation (G, temperature (T and connected load (RL variations – rising time (tr, recovering time, total average power and MPPT efficiency topics are calculated. The simulation results show that the FLC-based MPPT method can quickly track the maximum power point (MPP of the PV module at the transient state and effectively eliminates the power oscillation around the MPP of the PV module at steady state, hence more average power can be extracted, in comparison with the conventional P&O method.

  10. Hierarchical Load Tracking Control of a Grid-connected Solid Oxide Fuel Cell for Maximum Electrical Efficiency Operation

    DEFF Research Database (Denmark)

    Li, Yonghui; Wu, Qiuwei; Zhu, Haiyu

    2015-01-01

    efficiency operation obtained at different active power output levels, a hierarchical load tracking control scheme for the grid-connected SOFC was proposed to realize the maximum electrical efficiency operation with the stack temperature bounded. The hierarchical control scheme consists of a fast active...... power control and a slower stack temperature control. The active power control was developed by using a decentralized control method. The efficiency of the proposed hierarchical control scheme was demonstrated by case studies using the benchmark SOFC dynamic model......Based on the benchmark solid oxide fuel cell (SOFC) dynamic model for power system studies and the analysis of the SOFC operating conditions, the nonlinear programming (NLP) optimization method was used to determine the maximum electrical efficiency of the grid-connected SOFC subject...

  11. Toward Improved Rotor-Only Axial Fans—Part II: Design Optimization for Maximum Efficiency

    DEFF Research Database (Denmark)

    Sørensen, Dan Nørtoft; Thompson, M. C.; Sørensen, Jens Nørkær

    2000-01-01

    Numerical design optimization of the aerodynamic performance of axial fans is carried out, maximizing the efficiency in a designinterval of flow rates. Tip radius, number of blades, and angular velocity of the rotor are fixed, whereas the hub radius andspanwise distributions of chord length......, stagger angle, and camber angle are varied to find the optimum rotor geometry.Constraints ensure a pressure rise above a specified target and an angle of attack on the blades below stall. The optimizationscheme is used to investigate the dependence of maximum efficiency on the width of the design interval...

  12. PEG-400 as an efficient and recyclable reaction medium for the synthesis of polyhydroquinolines via Hantzsch reaction

    Directory of Open Access Journals (Sweden)

    Shitole Nana Vikram

    2013-01-01

    Full Text Available Polyhydroquinoline derivatives have been prepared efficiently in a one-pot synthesis via Hantzsch condensation using PEG-400 as reaction medium. The present method does not involve any hazardous organic solvents or toxic catalysts. The present methodology offers several advantages such as simple procedure, excellent yields with shorter reaction times and purification of products by non-chromatographic methods.

  13. Efficient Photovoltaic System Maximum Power Point Tracking Using a New Technique

    Directory of Open Access Journals (Sweden)

    Mehdi Seyedmahmoudian

    2016-03-01

    Full Text Available Partial shading is an unavoidable condition which significantly reduces the efficiency and stability of a photovoltaic (PV system. When partial shading occurs the system has multiple-peak output power characteristics. In order to track the global maximum power point (GMPP within an appropriate period a reliable technique is required. Conventional techniques such as hill climbing and perturbation and observation (P&O are inadequate in tracking the GMPP subject to this condition resulting in a dramatic reduction in the efficiency of the PV system. Recent artificial intelligence methods have been proposed, however they have a higher computational cost, slower processing time and increased oscillations which results in further instability at the output of the PV system. This paper proposes a fast and efficient technique based on Radial Movement Optimization (RMO for detecting the GMPP under partial shading conditions. The paper begins with a brief description of the behavior of PV systems under partial shading conditions followed by the introduction of the new RMO-based technique for GMPP tracking. Finally, results are presented to demonstration the performance of the proposed technique under different partial shading conditions. The results are compared with those of the PSO method, one of the most widely used methods in the literature. Four factors, namely convergence speed, efficiency (power loss reduction, stability (oscillation reduction and computational cost, are considered in the comparison with the PSO technique.

  14. Novel high efficient speed sensorless controller for maximum power extraction from wind energy conversion systems

    International Nuclear Information System (INIS)

    Fathabadi, Hassan

    2016-01-01

    Highlights: • Novel sensorless MPPT technique without drawbacks of other sensor/sensorless methods. • Tracking the actual MPP of WECSs, no tracking the MPP of their wind turbines. • Actually extracting the highest output power from WECSs. • Novel MPPT technique having the MPPT efficiency more than 98.5% for WECSs. • Novel MPPT technique having short convergence time for WECSs. - Abstract: In this study, a novel high accurate sensorless maximum power point tracking (MPPT) method is proposed. The technique tracks the actual maximum power point of a wind energy conversion system (WECS) at which maximum output power is extracted from the system, not the maximum power point of its wind turbine at which maximum mechanical power is obtained from the turbine, so it actually extracts the highest output power from the system. The technique only uses input voltage and current of the converter used in the system, and neither needs any speed sensors (anemometer and tachometer) nor has the drawbacks of other sensor/sensorless based MPPT methods. The technique has been implemented as a MPPT controller by constructing a WECS. Theoretical results, the technique performance, and its advantages are validated by presenting real experimental results. The real static-dynamic response of the MPPT controller is experimentally obtained that verifies the proposed MPPT technique high accurately extracts the highest instant power from wind energy conversion systems with the MPPT efficiency of more than 98.5% and a short convergence time that is only 25 s for the constructed system having a total inertia and friction coefficient of 3.93 kg m 2 and 0.014 N m s, respectively.

  15. Efficient Diels-Alder reaction of 1,2-benzoquinones with arynes and its utility in one-pot reactions.

    Science.gov (United States)

    Kaicharla, Trinadh; Bhojgude, Sachin Suresh; Biju, Akkattu T

    2012-12-21

    A new protocol for the efficient Diels-Alder reaction of 1,2-benzoquinones with arynes is reported. The aryne generated by the fluoride-induced 1,2-elimination of 2-(trimethylsilyl)aryl triflates undergoes a facile Diels-Alder reaction with 1,2-benzoquinones, affording the dioxobenzobicyclooctadienes in moderate to excellent yields. In addition, this methodology has been applied to the one-pot synthesis of benzoquinoxalinobarrelene and naphthalene derivatives.

  16. Highly Efficient Photocatalytic Water Splitting over Edge-Modified Phosphorene Nanoribbons.

    Science.gov (United States)

    Hu, Wei; Lin, Lin; Zhang, Ruiqi; Yang, Chao; Yang, Jinlong

    2017-11-01

    Two-dimensional phosphorene with desirable optoelectronic properties (ideal band gap, high carrier mobility, and strong visible light absorption) is a promising metal-free photocatalyst for water splitting. However, the band edge positions of the valence band maximum (VBM) and conduction band maximum (CBM) of phosphorene are higher than the redox potentials in photocatalytic water splitting reactions. Thus, phosphorene can only be used as the photocathode for hydrogen evolution reaction as a low-efficiency visible-light-driven photocatalyst for hydrogen production in solar water splitting cells. Here, we propose a new mechanism to improve the photocatalytic efficiency of phosphorene nanoribbons (PNRs) by modifying their edges for full reactions in photocatalytic water splitting. By employing first-principles density functional theory calculations, we find that pseudohalogen (CN and OCN) passivated PNRs not only show desired VBM and CBM band edge positions induced by edge electric dipole layer, but also possess intrinsic optoelectronic properties of phosphorene, for both water oxidation and hydrogen reduction in photocatalytic water splitting without using extra energy. Furthermore, our calculations also predict that the maximum energy conversion efficiency of heterojunction solar cells consisting of different edge-modified PNRs can be as high as 20% for photocatalytic water splitting.

  17. Efficiency improvement of the maximum power point tracking for PV systems using support vector machine technique

    International Nuclear Information System (INIS)

    Kareim, Ameer A; Mansor, Muhamad Bin

    2013-01-01

    The aim of this paper is to improve efficiency of maximum power point tracking (MPPT) for PV systems. The Support Vector Machine (SVM) was proposed to achieve the MPPT controller. The theoretical, the perturbation and observation (P and O), and incremental conductance (IC) algorithms were used to compare with proposed SVM algorithm. MATLAB models for PV module, theoretical, SVM, P and O, and IC algorithms are implemented. The improved MPPT uses the SVM method to predict the optimum voltage of the PV system in order to extract the maximum power point (MPP). The SVM technique used two inputs which are solar radiation and ambient temperature of the modeled PV module. The results show that the proposed SVM technique has less Root Mean Square Error (RMSE) and higher efficiency than P and O and IC methods.

  18. Highly efficient capillary polymerase chain reaction using an oscillation droplet microreactor

    International Nuclear Information System (INIS)

    Liu Dayu; Liang Guangtie; Lei Xiuxia; Chen Bin; Wang Wei; Zhou Xiaomian

    2012-01-01

    Graphical abstract: An oscillation-flow approach using a droplet reactor was developed to fully explore the potential of continuous-flow PCR. By fully utilizing interfacial chemistry, a water-in-oil (w/o) droplet was automatically generated by allowing an oil–water plug to flow through a polytetrafluoroethylene (PTFE) capillary. Due to the movement of aqueous phase relative to the oil phase, the droplet moves further into the middle of the oil plug with increase in migration distance. The resulting droplet was transported spanning the two heating zones and was employed as the reactor of oscillating-flow PCR. Highlights: ► Droplet formation in a capillary. ► Transport the droplet using oscillation-flow. ► Oscillation droplet PCR. ► Improved reaction efficiency. - Abstract: The current work presents the development of a capillary-based oscillation droplet approach to maximize the potential of a continuous-flow polymerase chain reaction (PCR). Through the full utilization of interfacial chemistry, a water-in-oil (w/o) droplet was generated by allowing an oil–water plug to flow along a polytetrafluoroethylene (PTFE) capillary. The w/o droplet functioned as the reactor for oscillating-flow PCR to provide a stable reaction environment, accelerate reagent mixing, and eliminate surface adsorption. The capillary PCR approach proposed in the current research offers high amplification efficiency, fast reaction speed, and easy system control attributable to the oscillation droplet reactor. Experimental results show that the droplet-based micro-PCR assay requires lower reaction volume (2 μL) and shorter reaction time (12 min) compared with conventional PCR methods. Taking the amplification of the New Delhi metallo-beta-lactamase (NDM-1) gene as an example, the present work demonstrates that the oscillation droplet PCR assay is capable of achieving high efficiency up to 89.5% and a detection limit of 10 DNA copies. The miniature PCR protocol developed in the current

  19. The tolerance efficiency of Panicum maximum and Helianthus annuus in TNT-contaminated soil and nZVI-contaminated soil.

    Science.gov (United States)

    Jiamjitrpanich, Waraporn; Parkpian, Preeda; Polprasert, Chongrak; Laurent, François; Kosanlavit, Rachain

    2012-01-01

    This study was designed to compare the initial method for phytoremediation involving germination and transplantation. The study was also to determine the tolerance efficiency of Panicum maximum (Purple guinea grass) and Helianthus annuus (Sunflower) in TNT-contaminated soil and nZVI-contaminated soil. It was found that the transplantation of Panicum maximum and Helianthus annuus was more suitable than germination as the initiate method of nano-phytoremediation potting test. The study also showed that Panicum maximum was more tolerance than Helianthus annuus in TNT and nZVI-contaminated soil. Therefore, Panicum maximum in the transplantation method should be selected as a hyperaccumulated plant for nano-phytoremediation potting tests. Maximum tolerance dosage of Panicum maximum to TNT-concentration soil was 320 mg/kg and nZVI-contaminated soil was 1000 mg/kg in the transplantation method.

  20. Does shoe heel design influence ground reaction forces and knee moments during maximum lunges in elite and intermediate badminton players?

    Directory of Open Access Journals (Sweden)

    Wing-Kai Lam

    Full Text Available Lunge is one frequently executed movement in badminton and involves a unique sagittal footstrike angle of more than 40 degrees at initial ground contact compared with other manoeuvres. This study examined if the shoe heel curvature design of a badminton shoe would influence shoe-ground kinematics, ground reaction forces, and knee moments during lunge.Eleven elite and fifteen intermediate players performed five left-forward maximum lunge trials with Rounded Heel Shoe (RHS, Flattened Heel Shoe (FHS, and Standard Heel Shoes (SHS. Shoe-ground kinematics, ground reaction forces, and knee moments were measured by using synchronized force platform and motion analysis system. A 2 (Group x 3 (Shoe ANOVA with repeated measures was performed to determine the effects of different shoes and different playing levels, as well as the interaction of two factors on all variables.Shoe effect indicated that players demonstrated lower maximum vertical loading rate in RHS than the other two shoes (P < 0.05. Group effect revealed that elite players exhibited larger footstrike angle, faster approaching speed, lower peak horizontal force and horizontal loading rates but higher vertical loading rates and larger peak knee flexion and extension moments (P < 0.05. Analysis of Interactions of Group x Shoe for maximum and mean vertical loading rates (P < 0.05 indicated that elite players exhibited lower left maximum and mean vertical loading rates in RHS compared to FHS (P < 0.01, while the intermediate group did not show any Shoe effect on vertical loading rates.These findings indicate that shoe heel curvature would play some role in altering ground reaction force impact during badminton lunge. The differences in impact loads and knee moments between elite and intermediate players may be useful in optimizing footwear design and training strategy to minimize the potential risks for impact related injuries in badminton.

  1. An Efficient UD-Based Algorithm for the Computation of Maximum Likelihood Sensitivity of Continuous-Discrete Systems

    DEFF Research Database (Denmark)

    Boiroux, Dimitri; Juhl, Rune; Madsen, Henrik

    2016-01-01

    This paper addresses maximum likelihood parameter estimation of continuous-time nonlinear systems with discrete-time measurements. We derive an efficient algorithm for the computation of the log-likelihood function and its gradient, which can be used in gradient-based optimization algorithms....... This algorithm uses UD decomposition of symmetric matrices and the array algorithm for covariance update and gradient computation. We test our algorithm on the Lotka-Volterra equations. Compared to the maximum likelihood estimation based on finite difference gradient computation, we get a significant speedup...

  2. An efficient implementation of maximum likelihood identification of LTI state-space models by local gradient search

    NARCIS (Netherlands)

    Bergboer, N.H.; Verdult, V.; Verhaegen, M.H.G.

    2002-01-01

    We present a numerically efficient implementation of the nonlinear least squares and maximum likelihood identification of multivariable linear time-invariant (LTI) state-space models. This implementation is based on a local parameterization of the system and a gradient search in the resulting

  3. Mn(II) oxidation in Fenton and Fenton type systems : Identification of Reaction Efficiency and Reaction Products

    NARCIS (Netherlands)

    van Genuchten, C.M.; Peña, Jasquelin

    2017-01-01

    Efficient and low-cost methods of removing aqueous Mn(II) are required to improve the quality of impacted groundwater supplies. In this work, we show that Fe(0) electrocoagulation (EC) permits the oxidative removal of Mn(II) from solution by reaction with the reactive oxidant species produced

  4. Fe(HSO4)3 as an Efficient Catalyst for Diazotization and Diazo Coupling Reactions

    International Nuclear Information System (INIS)

    Rahimizadeh, Mohammad; Eshghi, Hossein; Shiri, Ali; Ghadamyari, Zohreh; Matin, Maryam M.; Pordeli, Parvaneh; Oroojalian, Fatemeh

    2012-01-01

    Diazo coupling reactions of aromatic amines with 2-naphthol in a green, efficient and easy procedure is described. Ferric hydrogensulfate catalyses this reaction in water at room temperature and short reaction time with high yields. The antibacterial activities of the synthesized compounds against four pathogenic bacteria are also investigated

  5. Spatio-Temporal Convergence of Maximum Daily Light-Use Efficiency Based on Radiation Absorption by Canopy Chlorophyll

    Science.gov (United States)

    Zhang, Yao; Xiao, Xiangming; Wolf, Sebastian; Wu, Jin; Wu, Xiaocui; Gioli, Beniamino; Wohlfahrt, Georg; Cescatti, Alessandro; van der Tol, Christiaan; Zhou, Sha; Gough, Christopher M.; Gentine, Pierre; Zhang, Yongguang; Steinbrecher, Rainer; Ardö, Jonas

    2018-04-01

    Light-use efficiency (LUE), which quantifies the plants' efficiency in utilizing solar radiation for photosynthetic carbon fixation, is an important factor for gross primary production estimation. Here we use satellite-based solar-induced chlorophyll fluorescence as a proxy for photosynthetically active radiation absorbed by chlorophyll (APARchl) and derive an estimation of the fraction of APARchl (fPARchl) from four remotely sensed vegetation indicators. By comparing maximum LUE estimated at different scales from 127 eddy flux sites, we found that the maximum daily LUE based on PAR absorption by canopy chlorophyll (ɛmaxchl), unlike other expressions of LUE, tends to converge across biome types. The photosynthetic seasonality in tropical forests can also be tracked by the change of fPARchl, suggesting the corresponding ɛmaxchl to have less seasonal variation. This spatio-temporal convergence of LUE derived from fPARchl can be used to build simple but robust gross primary production models and to better constrain process-based models.

  6. Fenton-like reaction: a possible way to efficiently remove illicit drugs and pharmaceuticals from wastewater.

    Science.gov (United States)

    Mackuľak, Tomáš; Mosný, Michal; Grabic, Roman; Golovko, Oksana; Koba, Olga; Birošová, Lucia

    2015-03-01

    We analyzed 13 psychoactive pharmaceuticals, illicit drugs and their metabolites in wastewater treatment plant influent and effluent and the possibility of their degradation by biological and chemical processes. Tramadol (413-853 ng/L) and methamphetamine (460-682 ng/L) were the most concentrated compounds in the wastewater in winter and summer, respectively. A significant decrease in the concentration of tramadol in wastewater was measured during the summer. The lowest efficiency was observed for tramadol, venlafaxine, citalopram and oxazepam (∼ 10%) and the highest efficiency was observed for amphetamine and THC-COOH (∼ 80%). The efficiency of compound degradation via the Fenton reaction, a modified Fenton reaction and different degradation (by algae, wood-rotting fungi and enzymes at influent versus effluent) was determined. The Fenton reaction and its modification were efficient at eliminating these substances in comparison with the tested biological processes. Copyright © 2015 Elsevier B.V. All rights reserved.

  7. HRSSA – Efficient hybrid stochastic simulation for spatially homogeneous biochemical reaction networks

    International Nuclear Information System (INIS)

    Marchetti, Luca; Priami, Corrado; Thanh, Vo Hong

    2016-01-01

    This paper introduces HRSSA (Hybrid Rejection-based Stochastic Simulation Algorithm), a new efficient hybrid stochastic simulation algorithm for spatially homogeneous biochemical reaction networks. HRSSA is built on top of RSSA, an exact stochastic simulation algorithm which relies on propensity bounds to select next reaction firings and to reduce the average number of reaction propensity updates needed during the simulation. HRSSA exploits the computational advantage of propensity bounds to manage time-varying transition propensities and to apply dynamic partitioning of reactions, which constitute the two most significant bottlenecks of hybrid simulation. A comprehensive set of simulation benchmarks is provided for evaluating performance and accuracy of HRSSA against other state of the art algorithms.

  8. HRSSA – Efficient hybrid stochastic simulation for spatially homogeneous biochemical reaction networks

    Energy Technology Data Exchange (ETDEWEB)

    Marchetti, Luca, E-mail: marchetti@cosbi.eu [The Microsoft Research – University of Trento Centre for Computational and Systems Biology (COSBI), Piazza Manifattura, 1, 38068 Rovereto (Italy); Priami, Corrado, E-mail: priami@cosbi.eu [The Microsoft Research – University of Trento Centre for Computational and Systems Biology (COSBI), Piazza Manifattura, 1, 38068 Rovereto (Italy); University of Trento, Department of Mathematics (Italy); Thanh, Vo Hong, E-mail: vo@cosbi.eu [The Microsoft Research – University of Trento Centre for Computational and Systems Biology (COSBI), Piazza Manifattura, 1, 38068 Rovereto (Italy)

    2016-07-15

    This paper introduces HRSSA (Hybrid Rejection-based Stochastic Simulation Algorithm), a new efficient hybrid stochastic simulation algorithm for spatially homogeneous biochemical reaction networks. HRSSA is built on top of RSSA, an exact stochastic simulation algorithm which relies on propensity bounds to select next reaction firings and to reduce the average number of reaction propensity updates needed during the simulation. HRSSA exploits the computational advantage of propensity bounds to manage time-varying transition propensities and to apply dynamic partitioning of reactions, which constitute the two most significant bottlenecks of hybrid simulation. A comprehensive set of simulation benchmarks is provided for evaluating performance and accuracy of HRSSA against other state of the art algorithms.

  9. The efficiency of driving chemical reactions by a physical non-equilibrium is kinetically controlled.

    Science.gov (United States)

    Göppel, Tobias; Palyulin, Vladimir V; Gerland, Ulrich

    2016-07-27

    An out-of-equilibrium physical environment can drive chemical reactions into thermodynamically unfavorable regimes. Under prebiotic conditions such a coupling between physical and chemical non-equilibria may have enabled the spontaneous emergence of primitive evolutionary processes. Here, we study the coupling efficiency within a theoretical model that is inspired by recent laboratory experiments, but focuses on generic effects arising whenever reactant and product molecules have different transport coefficients in a flow-through system. In our model, the physical non-equilibrium is represented by a drift-diffusion process, which is a valid coarse-grained description for the interplay between thermophoresis and convection, as well as for many other molecular transport processes. As a simple chemical reaction, we consider a reversible dimerization process, which is coupled to the transport process by different drift velocities for monomers and dimers. Within this minimal model, the coupling efficiency between the non-equilibrium transport process and the chemical reaction can be analyzed in all parameter regimes. The analysis shows that the efficiency depends strongly on the Damköhler number, a parameter that measures the relative timescales associated with the transport and reaction kinetics. Our model and results will be useful for a better understanding of the conditions for which non-equilibrium environments can provide a significant driving force for chemical reactions in a prebiotic setting.

  10. Efficient Solar Energy Harvesting and Storage through a Robust Photocatalyst Driving Reversible Redox Reactions.

    Science.gov (United States)

    Zhou, Yangen; Zhang, Shun; Ding, Yu; Zhang, Leyuan; Zhang, Changkun; Zhang, Xiaohong; Zhao, Yu; Yu, Guihua

    2018-06-14

    Simultaneous solar energy conversion and storage is receiving increasing interest for better utilization of the abundant yet intermittently available sunlight. Photoelectrodes driving nonspontaneous reversible redox reactions in solar-powered redox cells (SPRCs), which can deliver energy via the corresponding reverse reactions, present a cost-effective and promising approach for direct solar energy harvesting and storage. However, the lack of photoelectrodes having both high conversion efficiency and high durability becomes a bottleneck that hampers practical applications of SPRCs. Here, it is shown that a WO 3 -decorated BiVO 4 photoanode, without the need of extra electrocatalysts, can enable a single-photocatalyst-driven SPRC with a solar-to-output energy conversion efficiency as high as 1.25%. This SPRC presents stable performance over 20 solar energy storage/delivery cycles. The high efficiency and stability are attributed to the rapid redox reactions, the well-matched energy level, and the efficient light harvesting and charge separation of the prepared BiVO 4 . This demonstrated device system represents a potential alternative toward the development of low-cost, durable, and easy-to-implement solar energy technologies. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Efficient kinetic Monte Carlo method for reaction-diffusion problems with spatially varying annihilation rates

    Science.gov (United States)

    Schwarz, Karsten; Rieger, Heiko

    2013-03-01

    We present an efficient Monte Carlo method to simulate reaction-diffusion processes with spatially varying particle annihilation or transformation rates as it occurs for instance in the context of motor-driven intracellular transport. Like Green's function reaction dynamics and first-passage time methods, our algorithm avoids small diffusive hops by propagating sufficiently distant particles in large hops to the boundaries of protective domains. Since for spatially varying annihilation or transformation rates the single particle diffusion propagator is not known analytically, we present an algorithm that generates efficiently either particle displacements or annihilations with the correct statistics, as we prove rigorously. The numerical efficiency of the algorithm is demonstrated with an illustrative example.

  12. Tracking the maximum efficiency point for the FC system based on extremum seeking scheme to control the air flow

    International Nuclear Information System (INIS)

    Bizon, Nicu

    2014-01-01

    Highlights: • The Maximum Efficiency Point (MEP) is tracked based on air flow rate. • The proposed Extremum Seeking (ES) control assures high performances. • About 10 kW/s search speed and 99.99% stationary accuracy can be obtained. • The energy efficiency increases with 3–12%, according to the power losses. • The control strategy is robust based on self-optimizing ES scheme proposed. - Abstract: An advanced control of the air compressor for the Proton Exchange Membrane Fuel Cell (PEMFC) system is proposed in this paper based on Extremum Seeking (ES) control scheme. The FC net power is mainly depended on the air and hydrogen flow rate and pressure, and heat and water management. This paper proposes to compute the optimal value for the air flow rate based on the advanced ES control scheme in order to maximize the FC net power. In this way, the Maximum Efficiency Point (MEP) will be tracked in real time, with about 10 kW/s search speed and a stationary accuracy of 0.99. Thus, energy efficiency will be close to the maximum value that can be obtained for a given PEMFC stack and compressor group under dynamic load. It is shown that the MEP tracking allows an increasing of the FC net power with 3–12%, depending on the percentage of the FC power supplied to the compressor and the level of the load power. Simulations shows that the performances mentioned above are effective

  13. Hydraulic limits on maximum plant transpiration and the emergence of the safety-efficiency trade-off.

    Science.gov (United States)

    Manzoni, Stefano; Vico, Giulia; Katul, Gabriel; Palmroth, Sari; Jackson, Robert B; Porporato, Amilcare

    2013-04-01

    Soil and plant hydraulics constrain ecosystem productivity by setting physical limits to water transport and hence carbon uptake by leaves. While more negative xylem water potentials provide a larger driving force for water transport, they also cause cavitation that limits hydraulic conductivity. An optimum balance between driving force and cavitation occurs at intermediate water potentials, thus defining the maximum transpiration rate the xylem can sustain (denoted as E(max)). The presence of this maximum raises the question as to whether plants regulate transpiration through stomata to function near E(max). To address this question, we calculated E(max) across plant functional types and climates using a hydraulic model and a global database of plant hydraulic traits. The predicted E(max) compared well with measured peak transpiration across plant sizes and growth conditions (R = 0.86, P efficiency trade-off in plant xylem. Stomatal conductance allows maximum transpiration rates despite partial cavitation in the xylem thereby suggesting coordination between stomatal regulation and xylem hydraulic characteristics. © 2013 The Authors. New Phytologist © 2013 New Phytologist Trust.

  14. Highly efficient maximum power point tracking using DC-DC coupled inductor single-ended primary inductance converter for photovoltaic power systems

    Science.gov (United States)

    Quamruzzaman, M.; Mohammad, Nur; Matin, M. A.; Alam, M. R.

    2016-10-01

    Solar photovoltaics (PVs) have nonlinear voltage-current characteristics, with a distinct maximum power point (MPP) depending on factors such as solar irradiance and operating temperature. To extract maximum power from the PV array at any environmental condition, DC-DC converters are usually used as MPP trackers. This paper presents the performance analysis of a coupled inductor single-ended primary inductance converter for maximum power point tracking (MPPT) in a PV system. A detailed model of the system has been designed and developed in MATLAB/Simulink. The performance evaluation has been conducted on the basis of stability, current ripple reduction and efficiency at different operating conditions. Simulation results show considerable ripple reduction in the input and output currents of the converter. Both the MPPT and converter efficiencies are significantly improved. The obtained simulation results validate the effectiveness and suitability of the converter model in MPPT and show reasonable agreement with the theoretical analysis.

  15. Fe(HSO{sub 4}){sub 3} as an Efficient Catalyst for Diazotization and Diazo Coupling Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Rahimizadeh, Mohammad; Eshghi, Hossein; Shiri, Ali; Ghadamyari, Zohreh; Matin, Maryam M.; Pordeli, Parvaneh [Ferdowsi Univ. of Mashhad, Mashhad (Iran, Islamic Republic of); Oroojalian, Fatemeh [Univ. of Tehran, Tehran (Iran, Islamic Republic of)

    2012-12-15

    Diazo coupling reactions of aromatic amines with 2-naphthol in a green, efficient and easy procedure is described. Ferric hydrogensulfate catalyses this reaction in water at room temperature and short reaction time with high yields. The antibacterial activities of the synthesized compounds against four pathogenic bacteria are also investigated.

  16. Relationship among reaction rate, release rate and efficiency of nanomachine-based targeted drug delivery.

    Science.gov (United States)

    Zhao, Qingying; Li, Min; Luo, Jun

    2017-12-04

    In nanomachine applications towards targeted drug delivery, drug molecules released by nanomachines propagate and chemically react with tumor cells in aqueous environment. If the nanomachines release drug molecules faster than the tumor cells react, it will result in loss and waste of drug molecules. It is a potential issue associated with the relationship among reaction rate, release rate and efficiency. This paper aims to investigate the relationship among reaction rate, release rate and efficiency based on two drug reception models. We expect to pave a way for designing a control method of drug release. We adopted two analytical methods that one is drug reception process based on collision with tumors and another is based on Michaelis Menten enzymatic kinetics. To evaluate the analytical formulations, we used the well-known simulation framework N3Sim to establish simulations. The analytical results of the relationship among reaction rate, release rate and efficiency is obtained, which match well with the numerical simulation results in a 3-D environment. Based upon two drug reception models, the results of this paper would be beneficial for designing a control method of nanomahine-based drug release.

  17. Solvent Optimization for Efficient Enzymatic Monoacylglycerol Production Based on a Glycerolysis Reaction

    DEFF Research Database (Denmark)

    Damstrup, Marianne; Jensen, Tine; Sparsø, Flemming V.

    2005-01-01

    This study was aimed at screening solvent systems of varying polarities to identify suitable solvents for efficient and practical enzymatic glycerolysis. Several pure solvents and solvent mixtures were screened in a batch reaction system consisting of glycerol, sunflower oil, and Novozymo (R) 435...

  18. Does shoe heel design influence ground reaction forces and knee moments during maximum lunges in elite and intermediate badminton players?

    Science.gov (United States)

    Lam, Wing-Kai; Ryue, Jaejin; Lee, Ki-Kwang; Park, Sang-Kyoon; Cheung, Jason Tak-Man; Ryu, Jiseon

    2017-01-01

    Lunge is one frequently executed movement in badminton and involves a unique sagittal footstrike angle of more than 40 degrees at initial ground contact compared with other manoeuvres. This study examined if the shoe heel curvature design of a badminton shoe would influence shoe-ground kinematics, ground reaction forces, and knee moments during lunge. Eleven elite and fifteen intermediate players performed five left-forward maximum lunge trials with Rounded Heel Shoe (RHS), Flattened Heel Shoe (FHS), and Standard Heel Shoes (SHS). Shoe-ground kinematics, ground reaction forces, and knee moments were measured by using synchronized force platform and motion analysis system. A 2 (Group) x 3 (Shoe) ANOVA with repeated measures was performed to determine the effects of different shoes and different playing levels, as well as the interaction of two factors on all variables. Shoe effect indicated that players demonstrated lower maximum vertical loading rate in RHS than the other two shoes (P badminton lunge. The differences in impact loads and knee moments between elite and intermediate players may be useful in optimizing footwear design and training strategy to minimize the potential risks for impact related injuries in badminton.

  19. Maruhn-Greiner Maximum of Uranium Fission for Confirmation of Low Energy Nuclear Reactions LENR via a Compound Nucleus with Double Magic Numbers

    Science.gov (United States)

    Hora, H.; Miley, G. H.

    2007-12-01

    One of the most convincing facts about LENR due to deuterons of very high concentration in host metals as palladium is the measurement of the large scale minimum of the reaction probability depending on the nucleon number A of generated elements at A = 153 where a local maximum was measured. This is similar to the fission of uranium at A = 119 where the local maximum follows from the Maruhn-Greiner theory if the splitting nuclei are excited to about MeV energy. The LENR generated elements can be documented any time after the reaction by SIMS or K-shell X-ray excitation to show the very unique distribution with the local maximum. An explanation is based on the strong Debye screening of the Maxwellian deuterons within the degenerate rigid electron background especially within the swimming electron layer at the metal surface or at interfaces. The deuterons behave like neutrals at distances of about 2 picometers. They may form clusters due to soft attraction in the range above thermal energy. Clusters of 10 pm diameter may react over long time probabilities (megaseconds) with Pd nuclei leading to a double magic number compound nucleus which splits like in fission to the A = 153 element distribution.

  20. Classic maximum entropy recovery of the average joint distribution of apparent FRET efficiency and fluorescence photons for single-molecule burst measurements.

    Science.gov (United States)

    DeVore, Matthew S; Gull, Stephen F; Johnson, Carey K

    2012-04-05

    We describe a method for analysis of single-molecule Förster resonance energy transfer (FRET) burst measurements using classic maximum entropy. Classic maximum entropy determines the Bayesian inference for the joint probability describing the total fluorescence photons and the apparent FRET efficiency. The method was tested with simulated data and then with DNA labeled with fluorescent dyes. The most probable joint distribution can be marginalized to obtain both the overall distribution of fluorescence photons and the apparent FRET efficiency distribution. This method proves to be ideal for determining the distance distribution of FRET-labeled biomolecules, and it successfully predicts the shape of the recovered distributions.

  1. Highly Efficient Synthesis of 2-Aryl-3-methoxyacrylates via Suzuki-Miyaura Coupling Reaction

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Hyung Ho; Lee, Chun Ho; Song, Young Seob; Park, No Kyun; Kim, Bum Tae; Heo, Jung Nyoung [Korea Research Institute of Chemical Technology, Daejeon (Korea, Republic of)

    2006-02-15

    We have developed a highly efficient and convergent synthesis of 2-aryl-3-methoxyacrylates via the Suzuki-Miyaura coupling reaction of α-iodo-β-methoxy-acrylate with arylboronic acids. The biological activities of 2-aryl-3-methoxyacrylate derivatives will be reported in due course. The Suzuki-Miyaura coupling reaction provides a convenient access to the carbon-carbon bond formation with high efficiency. Recently, a number of 2-aryl-3-methoxy-acrylates served as a key scaffold for the development of biologically active pharmaceuticals and agrochemicals. Especially, the discovery of the naturally-occurring fungicides, such as strobilurin A and oudemansin A, possessing a β-methoxyacrylate moiety was immediately seized great attention by industrial research groups to open a new era of the strobilurin family including azoxy-strobin and picoxystrobin.

  2. Maximum mutual information vector quantization of log-likelihood ratios for memory efficient HARQ implementations

    DEFF Research Database (Denmark)

    Danieli, Matteo; Forchhammer, Søren; Andersen, Jakob Dahl

    2010-01-01

    analysis leads to using maximum mutual information (MMI) as optimality criterion and in turn Kullback-Leibler (KL) divergence as distortion measure. Simulations run based on an LTE-like system have proven that VQ can be implemented in a computationally simple way at low rates of 2-3 bits per LLR value......Modern mobile telecommunication systems, such as 3GPP LTE, make use of Hybrid Automatic Repeat reQuest (HARQ) for efficient and reliable communication between base stations and mobile terminals. To this purpose, marginal posterior probabilities of the received bits are stored in the form of log...

  3. Au-Cu core-shell nanocube-catalyzed click reactions for efficient synthesis of diverse triazoles.

    Science.gov (United States)

    Madasu, Mahesh; Hsia, Chi-Fu; Huang, Michael H

    2017-06-01

    Au-Cu core-shell nanocubes and octahedra synthesized in aqueous solution were employed to catalyze a 1,3-dipolar cycloaddition reaction between phenylacetylene and benzyl azide in water at 50 °C for 3 h. Interestingly, the nanocubes were far more efficient in catalyzing this reaction, giving 91% yield of a regioselective 1,4-triazole product, while octahedra only recorded 46% yield. The Au-Cu nanocubes were subsequently employed to catalyze the click reaction between benzyl azide and a broad range of aromatic and aliphatic alkynes. The product yields ranged from 78 to 99%. Clearly the Au-Cu cubes exposing {100} surfaces are an excellent and green catalyst for click reactions.

  4. Optimization of the Efficiency of a Neutron Detector to Measure (α, n) Reaction Cross-Section

    Science.gov (United States)

    Perello, Jesus; Montes, Fernando; Ahn, Tony; Meisel, Zach; Joint InstituteNuclear Astrophysics Team

    2015-04-01

    Nucleosynthesis, the origin of elements, is one of the greatest mysteries in physics. A recent particular nucleosynthesis process of interest is the charge-particle process (cpp). In the cpp, elements form by nuclear fusion reactions during supernovae. This process of nuclear fusion, (α,n), will be studied by colliding beam elements produced and accelerated at the National Superconducting Cyclotron Laboratory (NSCL) to a helium-filled cell target. The elements will fuse with α (helium nuclei) and emit neutrons during the reaction. The neutrons will be detected for a count of fused-elements, thus providing us the probability of such reactions. The neutrons will be detected using the Neutron Emission Ratio Observer (NERO). Currently, NERO's efficiency varies for neutrons at the expected energy range (0-12 MeV). To study (α,n), NERO's efficiency must be near-constant at these energies. Monte-Carlo N-Particle Transport Code (MCNP6), a software package that simulates nuclear processes, was used to optimize NERO configuration for the experiment. MCNP6 was used to simulate neutron interaction with different NERO configurations at the expected neutron energies. By adding additional 3He detectors and polyethylene, a near-constant efficiency at these energies was obtained in the simulations. With the new NERO configuration, study of the (α,n) reactions can begin, which may explain how elements are formed in the cpp. SROP MSU, NSF, JINA, McNair Society.

  5. An efficient genetic algorithm for maximum coverage deployment in wireless sensor networks.

    Science.gov (United States)

    Yoon, Yourim; Kim, Yong-Hyuk

    2013-10-01

    Sensor networks have a lot of applications such as battlefield surveillance, environmental monitoring, and industrial diagnostics. Coverage is one of the most important performance metrics for sensor networks since it reflects how well a sensor field is monitored. In this paper, we introduce the maximum coverage deployment problem in wireless sensor networks and analyze the properties of the problem and its solution space. Random deployment is the simplest way to deploy sensor nodes but may cause unbalanced deployment and therefore, we need a more intelligent way for sensor deployment. We found that the phenotype space of the problem is a quotient space of the genotype space in a mathematical view. Based on this property, we propose an efficient genetic algorithm using a novel normalization method. A Monte Carlo method is adopted to design an efficient evaluation function, and its computation time is decreased without loss of solution quality using a method that starts from a small number of random samples and gradually increases the number for subsequent generations. The proposed genetic algorithms could be further improved by combining with a well-designed local search. The performance of the proposed genetic algorithm is shown by a comparative experimental study. When compared with random deployment and existing methods, our genetic algorithm was not only about twice faster, but also showed significant performance improvement in quality.

  6. An Efficient Forward-Reverse EM Algorithm for Statistical Inference in Stochastic Reaction Networks

    KAUST Repository

    Bayer, Christian

    2016-01-06

    In this work [1], we present an extension of the forward-reverse algorithm by Bayer and Schoenmakers [2] to the context of stochastic reaction networks (SRNs). We then apply this bridge-generation technique to the statistical inference problem of approximating the reaction coefficients based on discretely observed data. To this end, we introduce an efficient two-phase algorithm in which the first phase is deterministic and it is intended to provide a starting point for the second phase which is the Monte Carlo EM Algorithm.

  7. Origin of a maximum of the astrophysical S factor in heavy-ion fusion reactions at deep subbarrier energies

    Science.gov (United States)

    Hagino, K.; Balantekin, A. B.; Lwin, N. W.; Thein, Ei Shwe Zin

    2018-03-01

    The hindrance phenomenon of heavy-ion fusion cross sections at deep subbarrier energies often accompanies a maximum of an astrophysical S factor at a threshold energy for fusion hindrance. We argue that this phenomenon can naturally be explained when the fusion excitation function is fitted with two potentials, with a larger (smaller) logarithmic slope at energies lower (higher) than the threshold energy. This analysis clearly suggests that the astrophysical S factor provides a convenient tool to analyze the deep subbarrier hindrance phenomenon, even though the S factor may have a strong energy dependence for heavy-ion systems unlike that for astrophysical reactions.

  8. Monitoring mass transport in heterogeneously catalyzed reactions by field-gradient NMR for assessing reaction efficiency in a single pellet

    Science.gov (United States)

    Buljubasich, L.; Blümich, B.; Stapf, S.

    2011-09-01

    An important aspect in assessing the performance of a catalytically active reactor is the accessibility of the reactive sites inside the individual pellets, and the mass transfer of reactants and products to and from these sites. Optimal design often requires a suitable combination of micro- and macropores in order to facilitate mass transport inside the pellet. In an exothermic reaction, fluid exchange between the pellet and the surrounding medium is enhanced by convection, and often by the occurrence of gas bubbles. Determining mass flow in the vicinity of a pellet thus represents a parameter for quantifying the reaction efficiency and its dependence on time or external reaction conditions. Field gradient Nuclear Magnetic Resonance (NMR) methods are suggested as a tool for providing parameters sensitive to this mass flow in a contact-free and non-invasive way. For the example of bubble-forming hydrogen peroxide decomposition in an alumina pellet, the dependence of the mean-squared displacement of fluid molecules on spatial direction, observation time and reaction time is presented, and multi-pulse techniques are employed in order to separate molecular displacements from coherent and incoherent motion on the timescale of the experiment. The reaction progress is followed until the complete decomposition of H 2O 2.

  9. Core-Shell Structuring of Pure Metallic Aerogels towards Highly Efficient Platinum Utilization for the Oxygen Reduction Reaction.

    Science.gov (United States)

    Cai, Bin; Hübner, René; Sasaki, Kotaro; Zhang, Yuanzhe; Su, Dong; Ziegler, Christoph; Vukmirovic, Miomir B; Rellinghaus, Bernd; Adzic, Radoslav R; Eychmüller, Alexander

    2018-03-05

    The development of core-shell structures remains a fundamental challenge for pure metallic aerogels. Here we report the synthesis of Pd x Au-Pt core-shell aerogels composed of an ultrathin Pt shell and a composition-tunable Pd x Au alloy core. The universality of this strategy ensures the extension of core compositions to Pd transition-metal alloys. The core-shell aerogels exhibited largely improved Pt utilization efficiencies for the oxygen reduction reaction and their activities show a volcano-type relationship as a function of the lattice parameter of the core substrate. The maximum mass and specific activities are 5.25 A mg Pt -1 and 2.53 mA cm -2 , which are 18.7 and 4.1 times higher than those of Pt/C, respectively, demonstrating the superiority of the core-shell metallic aerogels. The proposed core-based activity descriptor provides a new possible strategy for the design of future core-shell electrocatalysts. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Free-standing ternary NiWP film for efficient water oxidation reaction

    Science.gov (United States)

    Yang, Yunpeng; Zhou, Kuo; Ma, Lili; Liang, Yanqin; Yang, Xianjin; Cui, Zhenduo; Zhu, Shengli; Li, Zhaoyang

    2018-03-01

    High-efficient catalysts for oxygen evolution reaction (OER) is of great concern in improving energy efficiency for water splitting. Here we report a high-performance OER electrocatalyst of nickel-tungsten-phosphorus (NiWP) film prepared by template method. This free-standing ternary electrocatalyst exhibits a remarkable electrocatalytic activity of OER in alkaline medium due to the synergetic effect among these elements and the good electrical conductivity. The reported NiWP composite catalyst has an overpotential of as low as 0.4 V (vs. RHE) at 30 mA cm-2, better than that of the commercial RuO2 catalyst. Moreover, a small charge transfer resistance of 4.06 Ω and a Tafel slope of 68 mV dec-1 demonstrate the outstanding catalytic activity.

  11. An efficient forward-reverse expectation-maximization algorithm for statistical inference in stochastic reaction networks

    KAUST Repository

    Vilanova, Pedro

    2016-01-01

    reaction networks (SRNs). We apply this stochastic representation to the computation of efficient approximations of expected values of functionals of SRN bridges, i.e., SRNs conditional on their values in the extremes of given time-intervals. We then employ

  12. Efficient oxygen reduction reaction using ruthenium tetrakis(diaquaplatinum)octacarboxyphthalocyanine catalyst supported on MWCNT platform

    CSIR Research Space (South Africa)

    Maxakato, NW

    2011-02-01

    Full Text Available -1 Electroanalysis 2011, 23, No. 2, 325 ? 329 Efficient Oxygen Reduction Reaction Using Ruthenium Tetrakis(diaquaplatinum)Octacarboxyphthalocyanine Catalyst Supported on MWCNT Platform Nobanathi W. Maxakato,a Solomon A. Mamuru,a Kenneth I. Ozoemena*a, b a...

  13. Chewing efficiency and maximum bite force with different attachment systems of implant overdentures: a crossover study.

    Science.gov (United States)

    Elsyad, Moustafa Abdou; Khairallah, Ahmed Samir

    2017-06-01

    This crossover study aimed to evaluate and compare chewing efficiency and maximum bite force (MBF) with resilient telescopic and bar attachment systems of implant overdentures in patients with atrophied mandibles. Ten participants with severely resorbed mandibles and persistent denture problems received new maxillary and mandibular conventional dentures (control, CD). After 3 months of adaptation, two implants were inserted in canine region of the mandible. In a quasi-random method, overdentures were connected to the implants with either bar overdentures (BOD) or resilient telescopic overdentures (TOD) attachment systems. Chewing efficiency in terms of unmixed fraction (UF) was measured using chewing gum (after 5, 10, 20, 30 and 50 strokes), and MBF was measured using a bite force transducer. Measurements were performed 3 months after using each of the following prostheses: CD, BOD and TOD. Chewing efficiency and MBF increased significantly with BOD and TOD compared to CD. As the number of chewing cycles increased, the UF decreased. TOD recorded significant higher chewing efficiency and MBF than BOD. Resilient telescopic attachments are associated with increased chewing efficiency and MBF compared bar attachments when used to retain overdentures to the implants in patients with atrophied mandibles. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  14. Nickel group cluster anion reactions with carbon monoxide: Rate coefficients and chemisorption efficiency

    Science.gov (United States)

    Hintz, Paul A.; Ervin, Kent M.

    1994-04-01

    Reactions of Ni-n(n=3-10), Pd-n(n=3-8), and Pt-n(n=3-7) with CO are studied in a flow tube reactor. Bimolecular rate coefficients are measured for the association reaction of CO adsorbing on the cluster surface. The rate coefficients range from about 10% of the collision rate for the trimer anions to near the collision rate for clusters larger than four atoms. The maximum number of CO molecules that bind to each cluster is determined. Whereas the saturation limits for nickel are typical for an 18 electron transition metal, the limits for platinum are lower, reflecting the electron deficient structures observed in condensed phase chemistry. The CO saturated palladium clusters represent the first examples of saturated binary palladium carbonyl compounds. Comparisons are made to similar studies on metal cation and neutral clusters and also to surface scattering studies of nickel group metals.

  15. Continuous protein concentration via free-flow moving reaction boundary electrophoresis.

    Science.gov (United States)

    Kong, Fanzhi; Zhang, Min; Chen, Jingjing; Fan, Liuyin; Xiao, Hua; Liu, Shaorong; Cao, Chengxi

    2017-07-28

    In this work, we developed the model and theory of free-flow moving reaction boundary electrophoresis (FFMRB) for continuous protein concentration for the first time. The theoretical results indicated that (i) the moving reaction boundary (MRB) can be quantitatively designed in free-flow electrophoresis (FFE) system; (ii) charge-to-mass ratio (Z/M) analysis could provide guidance for protein concentration optimization; and (iii) the maximum processing capacity could be predicted. To demonstrate the model and theory, three model proteins of hemoglobin (Hb), cytochrome C (Cyt C) and C-phycocyanin (C-PC) were chosen for the experiments. The experimental results verified that (i) stable MRBs with different velocities could be established in FFE apparatus with weak acid/weak base neutralization reaction system; (ii) proteins of Hb, Cyt C and C-PC were well concentrated with FFMRB; and (iii) a maximum processing capacity and recovery ratio of Cyt C enrichment were 126mL/h and 95.5% respectively, and a maximum enrichment factor was achieved 12.6 times for Hb. All of the experiments demonstrated the protein concentration model and theory. In contrast to other methods, the continuous processing ability enables FFMRB to efficiently enrich diluted protein or peptide in large volume solution. Copyright © 2017 Elsevier B.V. All rights reserved.

  16. Neutron spectra unfolding with maximum entropy and maximum likelihood

    International Nuclear Information System (INIS)

    Itoh, Shikoh; Tsunoda, Toshiharu

    1989-01-01

    A new unfolding theory has been established on the basis of the maximum entropy principle and the maximum likelihood method. This theory correctly embodies the Poisson statistics of neutron detection, and always brings a positive solution over the whole energy range. Moreover, the theory unifies both problems of overdetermined and of underdetermined. For the latter, the ambiguity in assigning a prior probability, i.e. the initial guess in the Bayesian sense, has become extinct by virtue of the principle. An approximate expression of the covariance matrix for the resultant spectra is also presented. An efficient algorithm to solve the nonlinear system, which appears in the present study, has been established. Results of computer simulation showed the effectiveness of the present theory. (author)

  17. Efficient Computation of Transition State Resonances and Reaction Rates from a Quantum Normal Form

    NARCIS (Netherlands)

    Schubert, Roman; Waalkens, Holger; Wiggins, Stephen

    2006-01-01

    A quantum version of a recent formulation of transition state theory in phase space is presented. The theory developed provides an algorithm to compute quantum reaction rates and the associated Gamov-Siegert resonances with very high accuracy. The algorithm is especially efficient for

  18. Charge exchange reactions and the efficiency of solar neutrino detectors

    International Nuclear Information System (INIS)

    Austin, S.M.; Anantaraman, N.; Love, W.G.

    1994-01-01

    The efficiencies of solar neutrino detectors are often based in part on weak interaction strengths determined by (p,n) and other charge exchange reactions. Although the (p,n) determinations are surprisingly good, it is shown that they may be inaccurate for important Gamow-Teller transitions whose strengths are a small fraction of the sum rule limit. This emphasizes the importance of direct calibration with ν sources for detectors such as 127 I and 115 In where direct β-decay information cannot be obtained. It may also bear on recent attempts to compare charge exchange and beta decay in the mass-37 system

  19. Simulation of maximum light use efficiency for some typical vegetation types in China

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Maximum light use efficiency (εmax) is a key parameter for the estimation of net primary productivity (NPP) derived from remote sensing data. There are still many divergences about its value for each vegetation type. The εmax for some typical vegetation types in China is simulated using a modified least squares function based on NOAA/AVHRR remote sensing data and field-observed NPP data. The vegetation classification accuracy is introduced to the process. The sensitivity analysis of εmax to vegetation classification accuracy is also conducted. The results show that the simulated values of εmax are greater than the value used in CASA model, and less than the values simulated with BIOME-BGC model. This is consistent with some other studies. The relative error of εmax resulting from classification accuracy is -5.5%―8.0%. This indicates that the simulated values of εmax are reliable and stable.

  20. The maximum entropy production and maximum Shannon information entropy in enzyme kinetics

    Science.gov (United States)

    Dobovišek, Andrej; Markovič, Rene; Brumen, Milan; Fajmut, Aleš

    2018-04-01

    We demonstrate that the maximum entropy production principle (MEPP) serves as a physical selection principle for the description of the most probable non-equilibrium steady states in simple enzymatic reactions. A theoretical approach is developed, which enables maximization of the density of entropy production with respect to the enzyme rate constants for the enzyme reaction in a steady state. Mass and Gibbs free energy conservations are considered as optimization constraints. In such a way computed optimal enzyme rate constants in a steady state yield also the most uniform probability distribution of the enzyme states. This accounts for the maximal Shannon information entropy. By means of the stability analysis it is also demonstrated that maximal density of entropy production in that enzyme reaction requires flexible enzyme structure, which enables rapid transitions between different enzyme states. These results are supported by an example, in which density of entropy production and Shannon information entropy are numerically maximized for the enzyme Glucose Isomerase.

  1. Tandem Aldol-Michael Reactions in Aqueous Diethylamine Medium: A Greener and Efficient Approach to Bis-Pyrimidine Derivatives

    Directory of Open Access Journals (Sweden)

    Abdullah M. Al-Majid

    2013-12-01

    Full Text Available A simple protocol, involving the green synthesis for the construction of novel bis-pyrimidine derivatives, 3a–i and 4a–e are accomplished by the aqueous diethylamine media promoted tandem Aldol-Michael reaction between two molecules of barbituric acid derivatives 1a,b with various aldehydes. This efficient synthetic protocol using an economic and environmentally friendly reaction media with versatility and shorter reaction time provides bis-pyrimidine derivatives with high yields (88%–99%.

  2. Comprehensive performance analyses and optimization of the irreversible thermodynamic cycle engines (TCE) under maximum power (MP) and maximum power density (MPD) conditions

    International Nuclear Information System (INIS)

    Gonca, Guven; Sahin, Bahri; Ust, Yasin; Parlak, Adnan

    2015-01-01

    This paper presents comprehensive performance analyses and comparisons for air-standard irreversible thermodynamic cycle engines (TCE) based on the power output, power density, thermal efficiency, maximum dimensionless power output (MP), maximum dimensionless power density (MPD) and maximum thermal efficiency (MEF) criteria. Internal irreversibility of the cycles occurred during the irreversible-adiabatic processes is considered by using isentropic efficiencies of compression and expansion processes. The performances of the cycles are obtained by using engine design parameters such as isentropic temperature ratio of the compression process, pressure ratio, stroke ratio, cut-off ratio, Miller cycle ratio, exhaust temperature ratio, cycle temperature ratio and cycle pressure ratio. The effects of engine design parameters on the maximum and optimal performances are investigated. - Highlights: • Performance analyses are conducted for irreversible thermodynamic cycle engines. • Comprehensive computations are performed. • Maximum and optimum performances of the engines are shown. • The effects of design parameters on performance and power density are examined. • The results obtained may be guidelines to the engine designers

  3. Magnetically Separable Iron Oxide Nanoparticles: An Efficient and Reusable Catalyst for Imino Diels-Alder Reaction

    Energy Technology Data Exchange (ETDEWEB)

    Basavegowda, Nagaraj; Mishra, Kanchan; Lee, Yong Rok; Joh, Young-Gull [Yeungnam University, Gyeongsan (Korea, Republic of)

    2016-02-15

    Iron oxide nanoparticles were synthesized using Saururus chinensis (S. chinensis) leaf extract as a reducing and stabilizing agent via ultrasonication. The size, morphology, crystallinity, elemental composition, weight loss, surface chemical state, and magnetic properties of the synthesized nanoparticles were investigated. The synthe-sized nanoparticles were used as an efficient and recyclable catalyst for the synthesis of a variety of 2-methyl-4-substituted-1,2,3,4-tetrahydroquinoline derivatives by the imino Diels-Alder reaction. After the reaction, the catalyst was recovered by an external magnetic field. The recovered catalyst was then reused in a subsequent reaction under identical conditions. The recycled iron oxide nanoparticles (IONPs) were reused five times with-out any significant loss of catalytic activity.

  4. Magnetically Separable Iron Oxide Nanoparticles: An Efficient and Reusable Catalyst for Imino Diels-Alder Reaction

    International Nuclear Information System (INIS)

    Basavegowda, Nagaraj; Mishra, Kanchan; Lee, Yong Rok; Joh, Young-Gull

    2016-01-01

    Iron oxide nanoparticles were synthesized using Saururus chinensis (S. chinensis) leaf extract as a reducing and stabilizing agent via ultrasonication. The size, morphology, crystallinity, elemental composition, weight loss, surface chemical state, and magnetic properties of the synthesized nanoparticles were investigated. The synthe-sized nanoparticles were used as an efficient and recyclable catalyst for the synthesis of a variety of 2-methyl-4-substituted-1,2,3,4-tetrahydroquinoline derivatives by the imino Diels-Alder reaction. After the reaction, the catalyst was recovered by an external magnetic field. The recovered catalyst was then reused in a subsequent reaction under identical conditions. The recycled iron oxide nanoparticles (IONPs) were reused five times with-out any significant loss of catalytic activity.

  5. An Efficient Implicit FEM Scheme for Fractional-in-Space Reaction-Diffusion Equations

    KAUST Repository

    Burrage, Kevin

    2012-01-01

    Fractional differential equations are becoming increasingly used as a modelling tool for processes associated with anomalous diffusion or spatial heterogeneity. However, the presence of a fractional differential operator causes memory (time fractional) or nonlocality (space fractional) issues that impose a number of computational constraints. In this paper we develop efficient, scalable techniques for solving fractional-in-space reaction diffusion equations using the finite element method on both structured and unstructured grids via robust techniques for computing the fractional power of a matrix times a vector. Our approach is show-cased by solving the fractional Fisher and fractional Allen-Cahn reaction-diffusion equations in two and three spatial dimensions, and analyzing the speed of the traveling wave and size of the interface in terms of the fractional power of the underlying Laplacian operator. © 2012 Society for Industrial and Applied Mathematics.

  6. Efficient Homodifunctional Bimolecular Ring-Closure Method for Cyclic Polymers by Combining RAFT and Self-Accelerating Click Reaction.

    Science.gov (United States)

    Qu, Lin; Sun, Peng; Wu, Ying; Zhang, Ke; Liu, Zhengping

    2017-08-01

    An efficient metal-free homodifunctional bimolecular ring-closure method is developed for the formation of cyclic polymers by combining reversible addition-fragmentation chain transfer (RAFT) polymerization and self-accelerating click reaction. In this approach, α,ω-homodifunctional linear polymers with azide terminals are prepared by RAFT polymerization and postmodification of polymer chain end groups. By virtue of sym-dibenzo-1,5-cyclooctadiene-3,7-diyne (DBA) as small linkers, well-defined cyclic polymers are then prepared using the self-accelerating double strain-promoted azide-alkyne click (DSPAAC) reaction to ring-close the azide end-functionalized homodifunctional linear polymer precursors. Due to the self-accelerating property of DSPAAC ring-closing reaction, this novel method eliminates the requirement of equimolar amounts of telechelic polymers and small linkers in traditional bimolecular ring-closure methods. It facilitates this method to efficiently and conveniently produce varied pure cyclic polymers by employing an excess molar amount of DBA small linkers. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Universal Expression of Efficiency at Maximum Power: A Quantum-Mechanical Brayton Engine Working with a Single Particle Confined in a Power-Law Trap

    International Nuclear Information System (INIS)

    Ye Zhuo-Lin; Li Wei-Sheng; Lai Yi-Ming; He Ji-Zhou; Wang Jian-Hui

    2015-01-01

    We propose a quantum-mechanical Brayton engine model that works between two superposed states, employing a single particle confined in an arbitrary power-law trap as the working substance. Applying the superposition principle, we obtain the explicit expressions of the power and efficiency, and find that the efficiency at maximum power is bounded from above by the function: η_+ = θ/(θ + 1), with θ being a potential-dependent exponent. (paper)

  8. An efficient catalyst for asymmetric Reformatsky reaction

    Indian Academy of Sciences (India)

    rate enantioselectivity using N,N-dialkylnorephedrines as chiral ligands. ..... temperatures also, there was no product conversion. ... Optimization of reaction conditions for asymmetric Reformatsky reaction between benzaldehyde and α-.

  9. Maruhn-Greiner Maximum for Confirmation of Low Energy Nuclear Reactions (LENR) via a Compound Nucleus with Double Magic Numbers

    Science.gov (United States)

    Hora, Heinrich; Miley, George

    2007-03-01

    One of the most convincing facts about LENR due to deuterons (ds) or protons of very high concentration in host metals of palladium is the measurement of the large scale minimum in the reaction probability with product elements centered around the nucleon number A = 153. The local maximum was measured in this region is similar to fission of uranium at A = 119 where the local maximum follows the Maruhn-Greiner mechanism^1. We suggest this phenomenon can be explained by the strong screening of the Maxwellian ds on the degenerate rigid electron background within the swimming electrons at the metal surface or thin filem interfaces. The deuterons behave like neutrals at distances of above 2 picometers (pm) and form clusters due to soft attraction in the range of thermal energy; 10 pm diameter clusters can react over long time scales (10^6 s) with Pd leading to double magic number compound nuclei 306x126 decaying via fission to an A=153 element distribution. J. Maruhn et al, Phys. Rev. Letters 32, 548 (1974) H. Hora, G.H. Miley, CzechJ. Phys. 48, 1111 (1998)

  10. Impact of the spatial distribution of morphological pattern on the efficiency of electrocatalytic gas evolving reactions

    Directory of Open Access Journals (Sweden)

    Žerađanin Aleksandar R.

    2014-01-01

    Full Text Available The efficiency of electrocatalytic gas evolving reactions (hydrogen, chlorine and oxygen evolution is a key challenge for the important industrial processes, such as chlor-alkali electrolysis or water electrolysis. Central issue for the aforementioned electrocatalytic processes is huge power consumption. Experimental results accumulated in the past, as well as some predictive models ("volcano" plots indicate that altering the nature of the electrode material cannot significantly increase the activity of mentioned reactions. Consequently, it is necessary to find a qualitatively different strategy for improving the energy efficiency of electrocatalytic gas evolving reactions. Usually disregarded fact is that the gas evolution is an oscillatory phenomenon. Given the oscillatory behavior, a key parameter of macrokinetics of gas electrode is the frequency of gas-bubble detachment. Bearing in mind that the gas evolution greatly depends on the surface morphology, a methodology is proposed that establishes a rational link between the morphological pattern of electrode with electrode activity and stability. Characterization was performed using advanced analytical tools. Frequency of gas-bubble detachment is obtained in the configuration of scanning electrochemical microscopy (SECM while the corrosion stability is analyzed using miniaturized scanning flow electrochemical cell connected to the mass spectrometer (SFC-ICPMS.

  11. Photocatalytic efficiency of titania photocatalysts in saline waters

    Directory of Open Access Journals (Sweden)

    Albrbar Asma Juma

    2014-01-01

    Full Text Available The photocatalytic efficiency of the recently synthesized TiO2 powder, named P160, of the degradation of dye Dye C.I. Reactive orange 16 in natural and artificial seawater was investigated in comparison to its efficiency in deionized water and the efficiency of a standard TiO2 powder Degusa P25. It was shown that the photocatalytic efficiency of P160 was slightly higher than that of P25, probably due to slightly higher specific surface area, higher pore volume and larger pores of the powder P160. The efficiency of both photocatalysts in natural and artificial seawater was significantly lower than that in deionized water. The overall rate of dye degradation for both types of photocatalysts is litle higher in artificial seawater than in natural seawater, which shows the influence of organic compounds naturally present in seawater on the photocatalysts activity. A saturation Langmuir-type relationship between the initial degradation rate and the initial dye concentration indicates that the adsorption plays a role in the photocatalytic reaction. The photodegradation rate constant k, which represents the maximum reaction rate, has similar values for P25 and P160 in all types of water due to the similar properties of the photocatalysts. [Projekat Ministarstva nauke Republike Srbije, br III 45019

  12. A general framework for thermodynamically consistent parameterization and efficient sampling of enzymatic reactions.

    Directory of Open Access Journals (Sweden)

    Pedro Saa

    2015-04-01

    Full Text Available Kinetic models provide the means to understand and predict the dynamic behaviour of enzymes upon different perturbations. Despite their obvious advantages, classical parameterizations require large amounts of data to fit their parameters. Particularly, enzymes displaying complex reaction and regulatory (allosteric mechanisms require a great number of parameters and are therefore often represented by approximate formulae, thereby facilitating the fitting but ignoring many real kinetic behaviours. Here, we show that full exploration of the plausible kinetic space for any enzyme can be achieved using sampling strategies provided a thermodynamically feasible parameterization is used. To this end, we developed a General Reaction Assembly and Sampling Platform (GRASP capable of consistently parameterizing and sampling accurate kinetic models using minimal reference data. The former integrates the generalized MWC model and the elementary reaction formalism. By formulating the appropriate thermodynamic constraints, our framework enables parameterization of any oligomeric enzyme kinetics without sacrificing complexity or using simplifying assumptions. This thermodynamically safe parameterization relies on the definition of a reference state upon which feasible parameter sets can be efficiently sampled. Uniform sampling of the kinetics space enabled dissecting enzyme catalysis and revealing the impact of thermodynamics on reaction kinetics. Our analysis distinguished three reaction elasticity regions for common biochemical reactions: a steep linear region (0> ΔGr >-2 kJ/mol, a transition region (-2> ΔGr >-20 kJ/mol and a constant elasticity region (ΔGr <-20 kJ/mol. We also applied this framework to model more complex kinetic behaviours such as the monomeric cooperativity of the mammalian glucokinase and the ultrasensitive response of the phosphoenolpyruvate carboxylase of Escherichia coli. In both cases, our approach described appropriately not only

  13. Upward Trend in Catalytic Efficiency of Rare-Earth Triflate Catalysts in Friedel-Crafts Aromatic Sulfonylation Reactions

    DEFF Research Database (Denmark)

    Duus, Fritz; Le, Thach Ngoc; Nguyen, Vo Thu An

    2014-01-01

    A series of 14 lanthanide (Ln) triflates were investigated as sustainable catalysts for aromatic sulfonylation reactions under microwave irradiation. The catalytic efficiency of the early triflates La(OTf)3–Eu(OTf)3 is good for long irradiation times. For the later lanthanides, yields reaching over...... 90 % were achieved for short irradiation periods. This was the case especially for Tm(OTf)3, Yb(OTf)3, and Lu(OTf)3, of which Yb(OTf)3 was the most efficient. The upward trend in catalytic efficiency therefore correlates with the lanthanide sequence in the periodic table. The results can be explained...

  14. New considerations regarding the risk assessment on Tartrazine An update toxicological assessment, intolerance reactions and maximum theoretical daily intake in France.

    Science.gov (United States)

    Elhkim, Mostafa Ould; Héraud, Fanny; Bemrah, Nawel; Gauchard, Françoise; Lorino, Tristan; Lambré, Claude; Frémy, Jean Marc; Poul, Jean-Michel

    2007-04-01

    Tartrazine is an artificial azo dye commonly used in human food and pharmaceutical products. Since the last assessment carried out by the JECFA in 1964, many new studies have been conducted, some of which have incriminated tartrazine in food intolerance reactions. The aims of this work are to update the hazard characterization and to revaluate the safety of tartrazine. Our bibliographical review of animal studies confirms the initial hazard assessment conducted by the JECFA, and accordingly the ADI established at 7.5mg/kg bw. From our data, in France, the estimated maximum theoretical intake of tartrazine in children is 37.2% of the ADI at the 97.5th percentile. It may therefore be concluded that from a toxicological point of view, tartrazine does not represent a risk for the consumer. It appears more difficult to show a clear relationship between ingestion of tartrazine and the development of intolerance reactions in patients. These reactions primarily occur in patients who also suffer from recurrent urticaria or asthma. The link between tartrazine consumption and these reactions is often overestimated, and the pathogenic mechanisms remain poorly understood. The prevalence of tartrazine intolerance is estimated to be less than 0.12% in the general population. Generally, the population at risk is aware of the importance of food labelling, with the view of avoiding consumption of tartrazine. However, it has to be mentioned that products such as ice creams, desserts, cakes and fine bakery are often sold loose without any labelling.

  15. Performance analysis and comparison of an Atkinson cycle coupled to variable temperature heat reservoirs under maximum power and maximum power density conditions

    International Nuclear Information System (INIS)

    Wang, P.-Y.; Hou, S.-S.

    2005-01-01

    In this paper, performance analysis and comparison based on the maximum power and maximum power density conditions have been conducted for an Atkinson cycle coupled to variable temperature heat reservoirs. The Atkinson cycle is internally reversible but externally irreversible, since there is external irreversibility of heat transfer during the processes of constant volume heat addition and constant pressure heat rejection. This study is based purely on classical thermodynamic analysis methodology. It should be especially emphasized that all the results and conclusions are based on classical thermodynamics. The power density, defined as the ratio of power output to maximum specific volume in the cycle, is taken as the optimization objective because it considers the effects of engine size as related to investment cost. The results show that an engine design based on maximum power density with constant effectiveness of the hot and cold side heat exchangers or constant inlet temperature ratio of the heat reservoirs will have smaller size but higher efficiency, compression ratio, expansion ratio and maximum temperature than one based on maximum power. From the view points of engine size and thermal efficiency, an engine design based on maximum power density is better than one based on maximum power conditions. However, due to the higher compression ratio and maximum temperature in the cycle, an engine design based on maximum power density conditions requires tougher materials for engine construction than one based on maximum power conditions

  16. Hollow Fluffy Co3O4 Cages as Efficient Electroactive Materials for Supercapacitors and Oxygen Evolution Reaction.

    Science.gov (United States)

    Zhou, Xuemei; Shen, Xuetao; Xia, Zhaoming; Zhang, Zhiyun; Li, Jing; Ma, Yuanyuan; Qu, Yongquan

    2015-09-16

    Nano-/micrometer multiscale hierarchical structures not only provide large surface areas for surface redox reactions but also ensure efficient charge conductivity, which is of benefit for utilization in areas of electrochemical energy conversion and storage. Herein, hollow fluffy cages (HFC) of Co3O4, constructed of ultrathin nanosheets, were synthesized by the formation of Co(OH)2 hollow cages and subsequent calcination at 250 °C. The large surface area (245.5 m2 g(-1)) of HFC Co3O4 annealed at 250 °C ensures the efficient interaction between electrolytes and electroactive components and provides more active sites for the surface redox reactions. The hierarchical structures minimize amount of the grain boundaries and facilitate the charge transfer process. Thin thickness of nanosheets (2-3 nm) ensures the highly active sites for the surface redox reactions. As a consequence, HFC Co3O4 as the supercapacitor electrode exhibits a superior rate capability, shows an excellent cycliability of 10,000 cycles at 10 A g(-1), and delivers large specific capacitances of 948.9 and 536.8 F g(-1) at 1 and 40 A g(-1), respectively. Catalytic studies of HFC Co3O4 for oxygen evolution reaction display a much higher turnover frequency of 1.67×10(-2) s(-1) in pH 14.0 KOH electrolyte at 400 mV overpotential and a lower Tafel slope of 70 mV dec(-1). HFC Co3O4 with the efficient electrochemical activity and good stability can remain a promising candidate for the electrochemical energy conversion and storage.

  17. An Efficient Synthesis of Substituted Quinolines via Indium(III) Chloride Catalyzed Reaction of Imines with Alkynes

    International Nuclear Information System (INIS)

    Zhu, Mei; Fu, Weijun; Xun, Chen; Zou, Guanglong

    2012-01-01

    An efficient synthetic method for the preparation of quinolines through indium(III) chloride-catalyzed tandem addition-cyclization-oxidation reactions of imines with alkynes was developed. The processes can provide a diverse range of quinoline derivatives in good yields from simple imines and alkynes

  18. Efficient method for computing the maximum-likelihood quantum state from measurements with additive Gaussian noise.

    Science.gov (United States)

    Smolin, John A; Gambetta, Jay M; Smith, Graeme

    2012-02-17

    We provide an efficient method for computing the maximum-likelihood mixed quantum state (with density matrix ρ) given a set of measurement outcomes in a complete orthonormal operator basis subject to Gaussian noise. Our method works by first changing basis yielding a candidate density matrix μ which may have nonphysical (negative) eigenvalues, and then finding the nearest physical state under the 2-norm. Our algorithm takes at worst O(d(4)) for the basis change plus O(d(3)) for finding ρ where d is the dimension of the quantum state. In the special case where the measurement basis is strings of Pauli operators, the basis change takes only O(d(3)) as well. The workhorse of the algorithm is a new linear-time method for finding the closest probability distribution (in Euclidean distance) to a set of real numbers summing to one.

  19. Estimation of the reaction efficiency in polymerase chain reaction

    NARCIS (Netherlands)

    Lalam, N.

    2006-01-01

    Polymerase chain reaction (PCR) is largely used in molecular biology for increasing the copy number of a specific DNA fragment. The succession of 20 replication cycles makes it possible to multiply the quantity of the fragment of interest by a factor of 1 million. The PCR technique has

  20. CRISPR/Cas9-Assisted Transformation-Efficient Reaction (CRATER) for Near-Perfect Selective Transformation

    Science.gov (United States)

    Rothschild, Lynn J.; Greenberg, Daniel T.; Takahashi, Jack R.; Thompson, Kirsten A.; Maheshwari, Akshay J.; Kent, Ryan E.; McCutcheon, Griffin; Shih, Joseph D.; Calvet, Charles; Devlin, Tyler D.; hide

    2015-01-01

    The CRISPR (Clustered, Regularly Interspaced, Short Palindromic Repeats)/Cas9 system has revolutionized genome editing by providing unprecedented DNA-targeting specificity. Here we demonstrate that this system can be also applied in vitro to fundamental cloning steps to facilitate efficient plasmid selection for transformation and selective gene insertion into plasmid vectors by cleaving unwanted plasmid byproducts with a single-guide RNA (sgRNA)-Cas9 nuclease complex. Using fluorescent and chromogenic proteins as reporters, we demonstrate that CRISPR/Cas9 cleavage excludes multiple plasmids as well as unwanted ligation byproducts resulting in an unprecedented increase in the transformation success rate from approximately 20% to nearly 100%. Thus, this CRISPR/Cas9-Assisted Transformation-Efficient Reaction (CRATER) protocol is a novel, inexpensive, and convenient application to conventional molecular cloning to achieve near-perfect selective transformation.

  1. Maximum Power Tracking by VSAS approach for Wind Turbine, Renewable Energy Sources

    Directory of Open Access Journals (Sweden)

    Nacer Kouider Msirdi

    2015-08-01

    Full Text Available This paper gives a review of the most efficient algorithms designed to track the maximum power point (MPP for catching the maximum wind power by a variable speed wind turbine (VSWT. We then design a new maximum power point tracking (MPPT algorithm using the Variable Structure Automatic Systems approach (VSAS. The proposed approachleads efficient algorithms as shown in this paper by the analysis and simulations.

  2. Efficient Computational Research Protocol to Survey Free Energy Surface for Solution Chemical Reaction in the QM/MM Framework: The FEG-ER Methodology and Its Application to Isomerization Reaction of Glycine in Aqueous Solution.

    Science.gov (United States)

    Takenaka, Norio; Kitamura, Yukichi; Nagaoka, Masataka

    2016-03-03

    In solution chemical reaction, we often need to consider a multidimensional free energy (FE) surface (FES) which is analogous to a Born-Oppenheimer potential energy surface. To survey the FES, an efficient computational research protocol is proposed within the QM/MM framework; (i) we first obtain some stable states (or transition states) involved by optimizing their structures on the FES, in a stepwise fashion, finally using the free energy gradient (FEG) method, and then (ii) we directly obtain the FE differences among any arbitrary states on the FES, efficiently by employing the QM/MM method with energy representation (ER), i.e., the QM/MM-ER method. To validate the calculation accuracy and efficiency, we applied the above FEG-ER methodology to a typical isomerization reaction of glycine in aqueous solution, and reproduced quite satisfactorily the experimental value of the reaction FE. Further, it was found that the structural relaxation of the solute in the QM/MM force field is not negligible to estimate correctly the FES. We believe that the present research protocol should become prevailing as one computational strategy and will play promising and important roles in solution chemistry toward solution reaction ergodography.

  3. Optimal conditions to use Pfu exo(-) DNA polymerase for highly efficient ligation-mediated polymerase chain reaction protocols.

    Science.gov (United States)

    Angers, M; Cloutier, J F; Castonguay, A; Drouin, R

    2001-08-15

    Ligation-Mediated Polymerase Chain Reaction (LMPCR) is the most sensitive sequencing technique available to map single-stranded DNA breaks at the nucleotide level of resolution using genomic DNA. LMPCR has been adapted to map DNA damage and reveal DNA-protein interactions inside living cells. However, the sequence context (GC content), the global break frequency and the current combination of DNA polymerases used in LMPCR affect the quality of the results. In this study, we developed and optimized an LMPCR protocol adapted for Pyrococcus furiosus exo(-) DNA polymerase (Pfu exo(-)). The relative efficiency of Pfu exo(-) was compared to T7-modified DNA polymerase (Sequenase 2.0) at the primer extension step and to Thermus aquaticus DNA polymerase (Taq) at the PCR amplification step of LMPCR. At all break frequencies tested, Pfu exo(-) proved to be more efficient than Sequenase 2.0. During both primer extension and PCR amplification steps, the ratio of DNA molecules per unit of DNA polymerase was the main determinant of the efficiency of Pfu exo(-), while the efficiency of Taq was less affected by this ratio. Substitution of NaCl for KCl in the PCR reaction buffer of Taq strikingly improved the efficiency of the DNA polymerase. Pfu exo(-) was clearly more efficient than Taq to specifically amplify extremely GC-rich genomic DNA sequences. Our results show that a combination of Pfu exo(-) at the primer extension step and Taq at the PCR amplification step is ideal for in vivo DNA analysis and DNA damage mapping using LMPCR.

  4. Particle Swarm Optimization Based of the Maximum Photovoltaic ...

    African Journals Online (AJOL)

    Photovoltaic electricity is seen as an important source of renewable energy. The photovoltaic array is an unstable source of power since the peak power point depends on the temperature and the irradiation level. A maximum peak power point tracking is then necessary for maximum efficiency. In this work, a Particle Swarm ...

  5. Improved efficiency of maximum likelihood analysis of time series with temporally correlated errors

    Science.gov (United States)

    Langbein, John

    2017-08-01

    Most time series of geophysical phenomena have temporally correlated errors. From these measurements, various parameters are estimated. For instance, from geodetic measurements of positions, the rates and changes in rates are often estimated and are used to model tectonic processes. Along with the estimates of the size of the parameters, the error in these parameters needs to be assessed. If temporal correlations are not taken into account, or each observation is assumed to be independent, it is likely that any estimate of the error of these parameters will be too low and the estimated value of the parameter will be biased. Inclusion of better estimates of uncertainties is limited by several factors, including selection of the correct model for the background noise and the computational requirements to estimate the parameters of the selected noise model for cases where there are numerous observations. Here, I address the second problem of computational efficiency using maximum likelihood estimates (MLE). Most geophysical time series have background noise processes that can be represented as a combination of white and power-law noise, 1/f^{α } with frequency, f. With missing data, standard spectral techniques involving FFTs are not appropriate. Instead, time domain techniques involving construction and inversion of large data covariance matrices are employed. Bos et al. (J Geod, 2013. doi: 10.1007/s00190-012-0605-0) demonstrate one technique that substantially increases the efficiency of the MLE methods, yet is only an approximate solution for power-law indices >1.0 since they require the data covariance matrix to be Toeplitz. That restriction can be removed by simply forming a data filter that adds noise processes rather than combining them in quadrature. Consequently, the inversion of the data covariance matrix is simplified yet provides robust results for a wider range of power-law indices.

  6. A Flexible Maximum Power Point Tracking Control Strategy Considering Both Conversion Efficiency and Power Fluctuation for Large-inertia Wind Turbines

    Directory of Open Access Journals (Sweden)

    Hongmin Meng

    2017-07-01

    Full Text Available In wind turbine control, maximum power point tracking (MPPT control is the main control mode for partial-load regimes. Efficiency potentiation of energy conversion and power smoothing are both two important control objectives in partial-load regime. However, on the one hand, low power fluctuation signifies inefficiency of energy conversion. On the other hand, enhancing efficiency may increase output power fluctuation as well. Thus the two objectives are contradictory and difficult to balance. This paper proposes a flexible MPPT control framework to improve the performance of both conversion efficiency and power smoothing, by adaptively compensating the torque reference value. The compensation was determined by a proposed model predictive control (MPC method with dynamic weights in the cost function, which improved control performance. The computational burden of the MPC solver was reduced by transforming the cost function representation. Theoretical analysis proved the good stability and robustness. Simulation results showed that the proposed method not only kept efficiency at a high level, but also reduced power fluctuations as much as possible. Therefore, the proposed method could improve wind farm profits and power grid reliability.

  7. Synthesis and characterization of Ni-P-Ag composite coating as efficient electrocatalyst for alkaline hydrogen evolution reaction

    International Nuclear Information System (INIS)

    Elias, Liju; Hegde, A. Chitharanjan

    2016-01-01

    Highlights: • Electrocatalytic activity of Ni-P alloy is improved by Ag nanoparticle incorporation. • Ni-P-Ag electrode is developed through sol-enhanced electrodeposition. • Ni-P-Ag composite coating shows better electrocatalytic efficiency for HER. - Abstract: The effect of addition of silver nanoparticle sol (SNS) into Ni-P plating bath was studied in terms of the variation in electrocatalytic behavior of the developed coatings in 1.0 M KOH. Ni-P-Ag composite coating was achieved through direct electrolysis by adding a known quantity of the conventionally prepared SNS into Ni-P bath. Ni-P-Ag coatings electrodeposited galvanostatically on copper under different conditions of the bath was used as electrode material for alkaline hydrogen evolution reaction (HER). The optimal concentration of the SNS required for maximum electrocatalytic activity towards HER was obtained by adding different volumes of SNS (from 0 to 50 mL L −1 ) into the bath. The HER efficiency of the test electrodes in 1.0 M KOH medium was examined using cyclic voltammetry (CV) and chronopotentiometry (CP) techniques. The kinetics of HER on the alloy and composite electrodes were established through Tafel polarization and electrochemical impedance spectroscopy (EIS) analyses. Energy dispersive spectroscopy (EDS) was used to confirm the incorporation of Ag nanoparticles into the Ni-P alloy matrix. The microstructure and morphology of the alloy and composite coatings were analyzed by Scanning Electron Microscopy (SEM). A significant improvement in the electrocatalytic property of nano-Ag derived composite coatings was found, and was attributed to the enhanced electroactive sites of Ag particles. Deposition conditions to maximize the electrocatalytic activity of Ni-P-Ag nanocomposite coatings in relation to traditional Ni-P alloy coatings was arrived, and results are discussed.

  8. Simplified method for calculating SNCR system efficiency

    Directory of Open Access Journals (Sweden)

    Pronobis Marek

    2017-01-01

    Full Text Available SNCR (Selective Non-Catalytic Reduction technology is aimed at reducing NOx emissions. SNCR efficiency is appropriately high only for the reaction temperature range called ‘the SNCR temperature window’. It is a narrow temperature range defined in various ways in the literature, which makes it difficult to evaluate the DeNOx system’s efficiency. Therefore, this study attempts to approximate the relationship between SNCR system efficiency and the flue gas temperature. The approximation was performed on the basis of literature data and verified using data from an experiment. Measurements were performed in a Polish boiler with a maximum continuous rating of 230 t/h. The verified, evaluated function could be used to forecast efficiency of SNCR systems in existing units that use urea or ammonia as a reagent. The approximation results are polynomial functions that depend on flue gas temperature, which fit the literature data with the coefficient of determination R2 = 0.83-0.86. Therefore, these equations could be used by the designer or operator of the boiler for preliminary determination of current SNCR system efficiency.

  9. Efficient reliability analysis of structures with the rotational quasi-symmetric point- and the maximum entropy methods

    Science.gov (United States)

    Xu, Jun; Dang, Chao; Kong, Fan

    2017-10-01

    This paper presents a new method for efficient structural reliability analysis. In this method, a rotational quasi-symmetric point method (RQ-SPM) is proposed for evaluating the fractional moments of the performance function. Then, the derivation of the performance function's probability density function (PDF) is carried out based on the maximum entropy method in which constraints are specified in terms of fractional moments. In this regard, the probability of failure can be obtained by a simple integral over the performance function's PDF. Six examples, including a finite element-based reliability analysis and a dynamic system with strong nonlinearity, are used to illustrate the efficacy of the proposed method. All the computed results are compared with those by Monte Carlo simulation (MCS). It is found that the proposed method can provide very accurate results with low computational effort.

  10. Benign and efficient preparation of thioethers by solvent-free S-alkylation of thiols with alkyl halides catalyzed by potassium fluoride on alumina

    DEFF Research Database (Denmark)

    Nguyen, Kha Ngoc; Duus, Fritz; Luu, Thi Xuan Thi

    2016-01-01

    The preparation of thioethers by S-alkylation of various thiols with alkyl halides under solvent-free reaction conditions using potassium fluoride on alumina (KF/Al2O3) as a solid catalyst has been investigated in detail with respect to three different modes of reaction activation (ultrasound...... irradiation, microwave irradiation, and conventional heating) for obtaining maximum yield of the thioether. The importance of KF/Al2O3 as a particularly efficient catalyst was corroborated for all three modes of reaction activation, although the reaction time was found to be strongly dependent on the mode...

  11. Thermodynamics and Efficiency of a CuCl(aq)/HCl(aq) Electrolyzer

    International Nuclear Information System (INIS)

    Hall, Derek M.; Akinfiev, Nikolay N.; LaRow, Eric G.; Schatz, Richard S.; Lvov, Serguei N.

    2014-01-01

    The high ionic strength and complex speciation of the anolyte solution within the CuCl(aq)/HCl(aq) electrolytic cell have impeded predictions of the energy requirements for the cell's electrolytic reaction at 25 °C and 1 bar. After collecting experimental open circuit potential (OCP) data and comparing the values obtained with predictions from prospective thermodynamic models, an approach to predict thermodynamic values and the overall efficiency was formulated. The compositions of the experimental measurements ranged from 2-2.5 mol of CuCl(aq) with 8-9 mol of HCl(aq) per kilogram of water in anolyte solution and 8-9 mol of HCl(aq) per kilogram of water in catholyte solution. From the OCP data, it was found that activity coefficient and speciation effects were critical in predicting the Gibbs energy, entropy and thermodynamic (intrinsic maximum) efficiency of the electrolytic cell. At equilibrium, all thermodynamic functions of the anolyte redox reactions were the same after activity coefficients and speciation effects were taken into account. The electrochemical reactions’ Gibbs energy and entropy were found to be 9700 J/mol and 2.18 J/(mol K) at 25 °C and 1 bar, which indicated that the reactions required a small amount of electrical and thermal energy to proceed. With thermodynamic values for the electrolytic reaction and experimental data from a CuCl(aq)/HCl(aq) electrolytic cell, the voltage, current, thermodynamic and overall efficiency were calculated. The overall efficiency ranged from 15 to 95% depending on the current density

  12. Three Mile Island accident. Local reactions; L'accident de Three Mile Island. Reactions locales

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1979-04-15

    Local reactions to the Three Mile Island are presented as well as newspaper articles covering this accident. In addition, this document presents a plan to set forth procedures and guidelines to be utilized by authorized emergency personnel in Middletown, Royalton, Londonderry Township, and Lower Swatara Township located in Pennsylvania, United States. The plan will provide for the orderly and efficient handling of area residents during time of serious incidents emanating from Three Mile Island facility. Emergency personnel in each community should be familiar with portions of the plan that pertain to the other near-by communities. The cooperation of all parties concerned will insure that a maximum effort is being made to help protect the public against injuries and v/ill in some cases keep any damages to communities to a minimum.

  13. MAXIMUM POWEWR POINT TRACKING SYSTEM FOR PHOTOVOLTAIC STATION: A REVIEW

    Directory of Open Access Journals (Sweden)

    I. Elzein

    2015-01-01

    Full Text Available In recent years there has been a growing attention towards the use of renewable energy sources. Among them solar energy is one of the most promising green energy resources due to its environment sustainability and inexhaustibility. However photovoltaic systems (PhV suffer from big cost of equipment and low efficiency. Moreover, the solar cell V-I characteristic is nonlinear and varies with irradiation and temperature. In general, there is a unique point of PhV operation, called the Maximum Power Point (MPP, in which the PV system operates with maximum efficiency and produces its maximum output power. The location of the MPP is not known in advance, but can be located, either through calculation models or by search algorithms. Therefore MPPT techniques are important to maintain the PV array’s high efficiency. Many different techniques for MPPT are discussed. This review paper hopefully will serve as a convenient tool for future work in PhV power conversion.

  14. Enhanced bimolecular exchange reaction through programmed coordination of a five-coordinate oxovanadium complex for efficient redox mediation in dye-sensitized solar cells.

    Science.gov (United States)

    Oyaizu, Kenichi; Hayo, Noriko; Sasada, Yoshito; Kato, Fumiaki; Nishide, Hiroyuki

    2013-12-07

    Electrochemical reversibility and fast bimolecular exchange reaction found for VO(salen) gave rise to a highly efficient redox mediation to enhance the photocurrent of a dye-sensitized solar cell, leading to an excellent photovoltaic performance with a conversion efficiency of 5.4%. A heterogeneous electron-transfer rate constant at an electrode (k0) and a second-order rate constant for an electron self-exchange reaction (k(ex)) were proposed as key parameters that dominate the charge transport property, which afforded a novel design concept for the mediators based on their kinetic aspects.

  15. Two Palladium-Catalyzed Domino Reactions from One Set of Substrates/Reagents: Efficient Synthesis of Substituted Indenes and cis-Stilbenoid Hydrocarbons from the Same Internal Alkynes and Hindered Grignard Reagents

    Science.gov (United States)

    Dong, Cheng-Guo; Yeung, Pik; Hu, Qiao-Sheng

    2008-01-01

    Two types of domino reactions from the same internal alkynes and hindered Grignard reagents based on carbopalladation, Pd-catalyzed cross-coupling reaction and C-H activation strategy are described. The realization of these domino reactions relied on the control of the use of the ligand and the reaction temperature. Our study provides an efficient access to useful polysubstituted indenes and cis-substituted stilbenes, and may offer new means to the development of tandem/domino reactions in a more efficient way. PMID:17217305

  16. Enhanced photocatalytic degradation of methylene blue by ZnO-reduced graphene oxide composite synthesized via microwave-assisted reaction

    Energy Technology Data Exchange (ETDEWEB)

    Lv Tian [Engineering Research Center for Nanophotonics and Advanced Instrument, Ministry of Education, Department of Physics, East China Normal University, Shanghai, 200062 (China); Pan Likun, E-mail: lkpan@phy.ecnu.edu.cn [Engineering Research Center for Nanophotonics and Advanced Instrument, Ministry of Education, Department of Physics, East China Normal University, Shanghai, 200062 (China); Liu Xinjuan; Lu Ting; Zhu Guang; Sun Zhuo [Engineering Research Center for Nanophotonics and Advanced Instrument, Ministry of Education, Department of Physics, East China Normal University, Shanghai, 200062 (China)

    2011-10-13

    Highlights: > ZnO-reduced graphene oxide composite is synthesized via microwave assisted reaction. > The method allows a facile, safe and rapid reaction in aqueous media. > A high dye degradation efficiency is achieved under UV light irradiation. - Abstract: A quick and facile microwave-assisted reaction is used to synthesize ZnO-reduced graphene oxide (RGO) hybrid composites by reducing graphite oxide dispersion with zinc nitrate using a microwave synthesis system. Their photocatalytic performance in degradation of methylene blue is investigated and the results show that the RGO plays an important role in the enhancement of photocatalytic performance and the ZnO-RGO composite with 1.1 wt. % RGO achieves a maximum degradation efficiency of 88% in a neutral solution under UV light irradiation for 260 min as compared with pure ZnO (68%) due to the increased light absorption, the reduced charge recombination with the introduction of RGO.

  17. Measurement of the Maximum Frequency of Electroglottographic Fluctuations in the Expiration Phase of Volitional Cough as a Functional Test for Cough Efficiency.

    Science.gov (United States)

    Iwahashi, Toshihiko; Ogawa, Makoto; Hosokawa, Kiyohito; Kato, Chieri; Inohara, Hidenori

    2017-10-01

    The hypotheses of the present study were that the maximum frequency of fluctuation of electroglottographic (EGG) signals in the expiration phase of volitional cough (VC) reflects the cough efficiency and that this EGG parameter is affected by impaired laryngeal closure, expiratory effort strength, and gender. For 20 normal healthy adults and 20 patients diagnosed with unilateral vocal fold paralysis (UVFP), each participant was fitted with EGG electrodes on the neck, had a transnasal laryngo-fiberscope inserted, and was asked to perform weak/strong VC tasks while EGG signals and a high-speed digital image of the larynx were recorded. The maximum frequency was calculated in the EGG fluctuation region coinciding with vigorous vocal fold vibration in the laryngeal HSDIs. In addition, each participant underwent spirometry for measurement of three aerodynamic parameters, including peak expiratory air flow (PEAF), during weak/strong VC tasks. Significant differences were found for both maximum EGG frequency and PEAF between the healthy and UVFP groups and between the weak and strong VC tasks. Among the three cough aerodynamic parameters, PEAF showed the highest positive correlation with the maximum EGG frequency. The correlation coefficients between the maximum EGG frequency and PEAF recorded simultaneously were 0.574 for the whole group, and 0.782/0.717/0.823/0.688 for the male/female/male-healthy/male-UVFP subgroups, respectively. Consequently, the maximum EGG frequency measured in the expiration phase of VC was shown to reflect the velocity of expiratory airflow to some extent and was suggested to be affected by vocal fold physical properties, glottal closure condition, and the expiratory function.

  18. An efficient and pH-universal ruthenium-based catalyst for the hydrogen evolution reaction

    Science.gov (United States)

    Mahmood, Javeed; Li, Feng; Jung, Sun-Min; Okyay, Mahmut Sait; Ahmad, Ishfaq; Kim, Seok-Jin; Park, Noejung; Jeong, Hu Young; Baek, Jong-Beom

    2017-05-01

    The hydrogen evolution reaction (HER) is a crucial step in electrochemical water splitting and demands an efficient, durable and cheap catalyst if it is to succeed in real applications. For an energy-efficient HER, a catalyst must be able to trigger proton reduction with minimal overpotential and have fast kinetics. The most efficient catalysts in acidic media are platinum-based, as the strength of the Pt-H bond is associated with the fastest reaction rate for the HER. The use of platinum, however, raises issues linked to cost and stability in non-acidic media. Recently, non-precious-metal-based catalysts have been reported, but these are susceptible to acid corrosion and are typically much inferior to Pt-based catalysts, exhibiting higher overpotentials and lower stability. As a cheaper alternative to platinum, ruthenium possesses a similar bond strength with hydrogen (˜65 kcal mol-1), but has never been studied as a viable alternative for a HER catalyst. Here, we report a Ru-based catalyst for the HER that can operate both in acidic and alkaline media. Our catalyst is made of Ru nanoparticles dispersed within a nitrogenated holey two-dimensional carbon structure (Ru@C2N). The Ru@C2N electrocatalyst exhibits high turnover frequencies at 25 mV (0.67 H2 s-1 in 0.5 M H2SO4 solution; 0.75 H2 s-1 in 1.0 M KOH solution) and small overpotentials at 10 mA cm-2 (13.5 mV in 0.5 M H2SO4 solution; 17.0 mV in 1.0 M KOH solution) as well as superior stability in both acidic and alkaline media. These performances are comparable to, or even better than, the Pt/C catalyst for the HER.

  19. Development of LEAP-JET code for sodium-water reaction analysis. Validation by sodium-water reaction tests (SWAT-1R)

    International Nuclear Information System (INIS)

    Seino, Hiroshi; Hamada, Hirotsugu

    2004-03-01

    The sodium-water reaction event in an FBR steam generator (SG) has influence on the safety, economical efficiency, etc. of the plant, so that the selection of design base leak (DBL) of the SG is considered as one of the important matters. The clarification of the sodium-water reaction phenomenon and the development of an analysis model are necessary to estimate the sodium-water reaction event with high accuracy and rationality in selecting the DBL. The reaction jet model is pointed out as a part of the necessary improvements to evaluate the overheating tube rupture of large SGs, since the behavior of overheating tube rupture is largely affected by the reaction jet conditions outside the tube. Therefore, LEAP-JET has been developed as an analysis code for the simulation of sodium-water reactions. This document shows the validation of the LEAP-JET code by the Sodium-Water Reaction Test (SWAT-1R). The following results have been obtained: (1) The reaction rate constant, K, is estimated at between 0.001≤K≤0.1 from the LEAP-JET analysis of the SWAT-1R data. (2) The analytical results on the high-temperature region and the behaviors of reaction consumption (Na, H 2 O) and products (H 2 , NaOH, Na 2 O) are considered to be physically reasonable. (3) The LEAP-JET analysis shows the tendency of overestimation in the maximum temperature and temperature distribution of the reaction jet. (4) In the LEAP-JET analysis, the numerical calculation becomes unstably, especially in the mesh containing quite small sodium mass. Therefore, it is necessary to modify the computational algorism to stabilize it and obtain the optimum value of K in sodium-water reactions. (author)

  20. Enhancing the efficiency of polymerase chain reaction using graphene nanoflakes.

    Science.gov (United States)

    Abdul Khaliq, R; Kafafy, Raed; Salleh, Hamzah Mohd; Faris, Waleed Fekry

    2012-11-16

    The effect of the recently developed graphene nanoflakes (GNFs) on the polymerase chain reaction (PCR) has been investigated in this paper. The rationale behind the use of GNFs is their unique physical and thermal properties. Experiments show that GNFs can enhance the thermal conductivity of base fluids and results also revealed that GNFs are a potential enhancer of PCR efficiency; moreover, the PCR enhancements are strongly dependent on GNF concentration. It was found that GNFs yield DNA product equivalent to positive control with up to 65% reduction in the PCR cycles. It was also observed that the PCR yield is dependent on the GNF size, wherein the surface area increases and augments thermal conductivity. Computational fluid dynamics (CFD) simulations were performed to analyze the heat transfer through the PCR tube model in the presence and absence of GNFs. The results suggest that the superior thermal conductivity effect of GNFs may be the main cause of the PCR enhancement.

  1. Maximum power point tracking

    International Nuclear Information System (INIS)

    Enslin, J.H.R.

    1990-01-01

    A well engineered renewable remote energy system, utilizing the principal of Maximum Power Point Tracking can be m ore cost effective, has a higher reliability and can improve the quality of life in remote areas. This paper reports that a high-efficient power electronic converter, for converting the output voltage of a solar panel, or wind generator, to the required DC battery bus voltage has been realized. The converter is controlled to track the maximum power point of the input source under varying input and output parameters. Maximum power point tracking for relative small systems is achieved by maximization of the output current in a battery charging regulator, using an optimized hill-climbing, inexpensive microprocessor based algorithm. Through practical field measurements it is shown that a minimum input source saving of 15% on 3-5 kWh/day systems can easily be achieved. A total cost saving of at least 10-15% on the capital cost of these systems are achievable for relative small rating Remote Area Power Supply systems. The advantages at larger temperature variations and larger power rated systems are much higher. Other advantages include optimal sizing and system monitor and control

  2. Direct maximum parsimony phylogeny reconstruction from genotype data

    OpenAIRE

    Sridhar, Srinath; Lam, Fumei; Blelloch, Guy E; Ravi, R; Schwartz, Russell

    2007-01-01

    Abstract Background Maximum parsimony phylogenetic tree reconstruction from genetic variation data is a fundamental problem in computational genetics with many practical applications in population genetics, whole genome analysis, and the search for genetic predictors of disease. Efficient methods are available for reconstruction of maximum parsimony trees from haplotype data, but such data are difficult to determine directly for autosomal DNA. Data more commonly is available in the form of ge...

  3. MoS2 @HKUST-1 Flower-Like Nanohybrids for Efficient Hydrogen Evolution Reactions.

    Science.gov (United States)

    Wang, Chengli; Su, Yingchun; Zhao, Xiaole; Tong, Shanshan; Han, Xiaojun

    2018-01-24

    A novel MoS 2 -based flower-like nanohybrid for hydrogen evolution was fabricated through coating the Cu-containing metal-organic framework (HKUST-1) onto MoS 2 nanosheets. It is the first time that MoS 2 @HKUST-1 nanohybrids have been reported for the enhanced electrochemical performance of HER. The morphologies and components of the MoS 2 @HKUST-1 flower-like nanohybrids were characterized by scanning electron microscopy, X-ray diffraction analysis and Fourier transform infrared spectroscopy. Compared with pure MoS 2 , the MoS 2 @HKUST-1 hybrids exhibit enhanced performance on hydrogen evolution reaction with an onset potential of -99 mV, a smaller Tafel slope of 69 mV dec -1 , and a Faradaic efficiency of nearly 100 %. The MoS 2 @HKUST-1 flower-like nanohybrids exhibit excellent stability in acidic media. This design opens new possibilities to effectively synthesize non-noble metal catalysts with high performance for the hydrogen evolution reaction (HER). © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Evaluations of Effective Factors on Efficiency Zinc Oxides Nanoparticles in Cadmium Removal from Aqueous Solution

    Directory of Open Access Journals (Sweden)

    MH Ehrampoush

    2014-09-01

    Results: The results indicated that the adsorption process is affected by different parameters such as initial pollutant concentrations, adsorbent dose, pH, and contact time and Cadmiumremoval efficiency increases with increasing adsorbent dose and reaction time and decreases with increasing initial concentration of Cadmium. Therefore, it is observed that by raising the initial Cadmium concentration, the adsorption rate increases. The maximum efficiency of adsorptionin pH=7amounted to 89.6%. Conclusion: It is concluded that Zinc Oxide nanoparticles have proper efficiency in removal of Cadmium from aqueous solutions and can be used in the treatment of wastewater that contains ion Cadmium. However, its efficiency is deeply dependent on ion strength and the interaction of other metals in wastewater.

  5. Hydrogen-Etched TiO2−x as Efficient Support of Gold Catalysts for Water–Gas Shift Reaction

    Directory of Open Access Journals (Sweden)

    Li Song

    2018-01-01

    Full Text Available Hydrogen-etching technology was used to prepare TiO2−x nanoribbons with abundant stable surface oxygen vacancies. Compared with traditional Au-TiO2, gold supported on hydrogen-etched TiO2−x nanoribbons had been proven to be efficient and stable water–gas shift (WGS catalysts. The disorder layer and abundant stable surface oxygen vacancies of hydrogen-etched TiO2−x nanoribbons lead to higher microstrain and more metallic Au0 species, respectively, which all facilitate the improvement of WGS catalytic activities. Furthermore, we successfully correlated the WGS thermocatalytic activities with their optoelectronic properties, and then tried to understand WGS pathways from the view of electron flow process. Hereinto, the narrowed forbidden band gap leads to the decreased Ohmic barrier, which enhances the transmission efficiency of “hot-electron flow”. Meanwhile, the abundant surface oxygen vacancies are considered as electron traps, thus promoting the flow of “hot-electron” and reduction reaction of H2O. As a result, the WGS catalytic activity was enhanced. The concept involved hydrogen-etching technology leading to abundant surface oxygen vacancies can be attempted on other supported catalysts for WGS reaction or other thermocatalytic reactions.

  6. Reduced Graphene Oxide-Immobilized Tris(bipyridine)ruthenium(II) Complex for Efficient Visible-Light-Driven Reductive Dehalogenation Reaction.

    Science.gov (United States)

    Li, Xiaoyan; Hao, Zhongkai; Zhang, Fang; Li, Hexing

    2016-05-18

    A sodium benzenesulfonate (PhSO3Na)-functionalized reduced graphene oxide was synthesized via a two-step aryl diazonium coupling and subsequent NaCl ion-exchange procedure, which was used as a support to immobilize tris(bipyridine)ruthenium(II) complex (Ru(bpy)3Cl2) by coordination reaction. This elaborated Ru(bpy)3-rGO catalyst exhibited excellent catalytic efficiency in visible-light-driven reductive dehalogenation reactions under mild conditions, even for ary chloride. Meanwhile, it showed the comparable reactivity with the corresponding homogeneous Ru(bpy)3Cl2 catalyst. This high catalytic performance could be attributed to the unique two-dimensional sheet-like structure of Ru(bpy)3-rGO, which efficiently diminished diffusion resistance of the reactants. Meanwhile, the nonconjugated PhSO3Na-linkage between Ru(II) complex and the support and the very low electrical conductivity of the catalyst inhibited energy/electron transfer from Ru(II) complex to rGO support, resulting in the decreased support-induced quenching effect. Furthermore, it could be easily recycled at least five times without significant loss of catalytic reactivity.

  7. Amorphous nickel/cobalt tungsten sulfide electrocatalysts for high-efficiency hydrogen evolution reaction

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Lun [Key Laboratory of Modern Acoustics, MOE, Institute of Acoustics and Collaborative Innovation Center of Advanced Microstructures, National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); Wu, Xinglong, E-mail: hkxlwu@nju.edu.cn [Key Laboratory of Modern Acoustics, MOE, Institute of Acoustics and Collaborative Innovation Center of Advanced Microstructures, National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); Department of Physics, NingBo University, NingBo 315001 (China); Zhu, Xiaoshu [Center for Analysis and Testing, Nanjing Normal University, Nanjing 210093 (China); He, Chengyu; Meng, Ming; Gan, Zhixing [Key Laboratory of Modern Acoustics, MOE, Institute of Acoustics and Collaborative Innovation Center of Advanced Microstructures, National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); Chu, Paul K. [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China)

    2015-06-30

    Graphical abstract: - Highlights: • Amorphous nickel/cobalt tungsten sulfides were synthesized by a thermolytic process. • Amorphous NiWS and CoWS could realize hydrogen evolution efficiently. • Ni/Co promotion and annealing alter the porous structure and chemical bonding states. • Active sites on the surface of amorphous WS{sub x} are increased with Ni or Co doping. • Amorphous NiWS and CoWS have immense potentials in water splitting devices. - Abstract: The hydrogen evolution reaction (HER), an appealing solution for future energy supply, requires efficient and inexpensive electrocatalysts with abundant active surface sites. Although crystalline MoS{sub 2} and WS{sub 2} are promising candidates, their activity is dominated by edge sites. Amorphous tungsten sulfide prepared so far lacks the required active sites and its application has thus been hampered. In this work, nickel and cobalt incorporated amorphous tungsten sulfide synthesized by a thermolytic process is demonstrated to enhance the HER efficiency dramatically. The amorphous nickel tungsten sulfide (amorphous NiWS) annealed at 210 °C delivers the best HER performance in this system boasting a Tafel slope of 55 mV per decade and current density of 8.6 mA cm{sup −2} at 250 mV overpotential in a sustained test for 24 h. The introduction of Ni or Co into the catalyst and subsequent thermal treatment alters the porous structure and chemical bonding states thereby increasing the density of active sites on the surface.

  8. Efficient assembly of polysubstituted pyrroles via a (3 + 2) cycloaddition/skeletal rearrangement/redox isomerization cascade reaction.

    Science.gov (United States)

    Yu, Yuanyuan; Wang, Chunyu; He, Xinze; Yao, Xiaotong; Zu, Liansuo

    2014-07-03

    An unprecedented cascade strategy, used in conjunction with a redox isomerization, for the synthesis of 3-allyl pyrroles is reported. In a single step, readily accessible simple starting materials are transformed into highly substituted pyrroles with high efficiency. The products obtained contain allyl substituents, which can be readily elaborated to other useful functional groups. The reaction proceeds through an unusual (3 + 2) cycloaddition/skeletal rearrangement/redox isomerization pathway.

  9. A performance analysis for MHD power cycles operating at maximum power density

    International Nuclear Information System (INIS)

    Sahin, Bahri; Kodal, Ali; Yavuz, Hasbi

    1996-01-01

    An analysis of the thermal efficiency of a magnetohydrodynamic (MHD) power cycle at maximum power density for a constant velocity type MHD generator has been carried out. The irreversibilities at the compressor and the MHD generator are taken into account. The results obtained from power density analysis were compared with those of maximum power analysis. It is shown that by using the power density criteria the MHD cycle efficiency can be increased effectively. (author)

  10. Maximum hardness and minimum polarizability principles through lattice energies of ionic compounds

    International Nuclear Information System (INIS)

    Kaya, Savaş; Kaya, Cemal; Islam, Nazmul

    2016-01-01

    The maximum hardness (MHP) and minimum polarizability (MPP) principles have been analyzed using the relationship among the lattice energies of ionic compounds with their electronegativities, chemical hardnesses and electrophilicities. Lattice energy, electronegativity, chemical hardness and electrophilicity values of ionic compounds considered in the present study have been calculated using new equations derived by some of the authors in recent years. For 4 simple reactions, the changes of the hardness (Δη), polarizability (Δα) and electrophilicity index (Δω) were calculated. It is shown that the maximum hardness principle is obeyed by all chemical reactions but minimum polarizability principles and minimum electrophilicity principle are not valid for all reactions. We also proposed simple methods to compute the percentage of ionic characters and inter nuclear distances of ionic compounds. Comparative studies with experimental sets of data reveal that the proposed methods of computation of the percentage of ionic characters and inter nuclear distances of ionic compounds are valid.

  11. Maximum hardness and minimum polarizability principles through lattice energies of ionic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kaya, Savaş, E-mail: savaskaya@cumhuriyet.edu.tr [Department of Chemistry, Faculty of Science, Cumhuriyet University, Sivas 58140 (Turkey); Kaya, Cemal, E-mail: kaya@cumhuriyet.edu.tr [Department of Chemistry, Faculty of Science, Cumhuriyet University, Sivas 58140 (Turkey); Islam, Nazmul, E-mail: nazmul.islam786@gmail.com [Theoretical and Computational Chemistry Research Laboratory, Department of Basic Science and Humanities/Chemistry Techno Global-Balurghat, Balurghat, D. Dinajpur 733103 (India)

    2016-03-15

    The maximum hardness (MHP) and minimum polarizability (MPP) principles have been analyzed using the relationship among the lattice energies of ionic compounds with their electronegativities, chemical hardnesses and electrophilicities. Lattice energy, electronegativity, chemical hardness and electrophilicity values of ionic compounds considered in the present study have been calculated using new equations derived by some of the authors in recent years. For 4 simple reactions, the changes of the hardness (Δη), polarizability (Δα) and electrophilicity index (Δω) were calculated. It is shown that the maximum hardness principle is obeyed by all chemical reactions but minimum polarizability principles and minimum electrophilicity principle are not valid for all reactions. We also proposed simple methods to compute the percentage of ionic characters and inter nuclear distances of ionic compounds. Comparative studies with experimental sets of data reveal that the proposed methods of computation of the percentage of ionic characters and inter nuclear distances of ionic compounds are valid.

  12. Analysis of the Efficiency of Surfactant-Mediated Stabilization Reactions of EGaIn Nanodroplets.

    Science.gov (United States)

    Finkenauer, Lauren R; Lu, Qingyun; Hakem, Ilhem F; Majidi, Carmel; Bockstaller, Michael R

    2017-09-26

    A methodology based on light scattering and spectrophotometry was developed to evaluate the effect of organic surfactants on the size and yield of eutectic gallium/indium (EGaIn) nanodroplets formed in organic solvents by ultrasonication. The process was subsequently applied to systematically evaluate the role of headgroup chemistry as well as polar/apolar interactions of aliphatic surfactant systems on the efficiency of nanodroplet formation. Ethanol was found to be the most effective solvent medium in promoting the formation and stabilization of EGaIn nanodroplets. For the case of thiol-based surfactants in ethanol, the yield of nanodroplet formation increased with the number of carbon atoms in the aliphatic part. In the case of the most effective surfactant system-octadecanethiol-the nanodroplet yield increased by about 370% as compared to pristine ethanol. The rather low overall efficiency of the reaction process along with the incompatibility of surfactant-stabilized EGaIn nanodroplets in nonpolar organic solvents suggests that the stabilization mechanism differs from the established self-assembled monolayer formation process that has been widely observed in nanoparticle formation.

  13. Three Mile Island accident. Local reactions

    International Nuclear Information System (INIS)

    1979-04-01

    Local reactions to the Three Mile Island are presented as well as newspaper articles covering this accident. In addition, this document presents a plan to set forth procedures and guidelines to be utilized by authorized emergency personnel in Middletown, Royalton, Londonderry Township, and Lower Swatara Township located in Pennsylvania, United States. The plan will provide for the orderly and efficient handling of area residents during time of serious incidents emanating from Three Mile Island facility. Emergency personnel in each community should be familiar with portions of the plan that pertain to the other near-by communities. The cooperation of all parties concerned will insure that a maximum effort is being made to help protect the public against injuries and v/ill in some cases keep any damages to communities to a minimum

  14. Dodecahedral W@WC Composite as Efficient Catalyst for Hydrogen Evolution and Nitrobenzene Reduction Reactions.

    Science.gov (United States)

    Chen, Zhao-Yang; Duan, Long-Fa; Sheng, Tian; Lin, Xiao; Chen, Ya-Feng; Chu, You-Qun; Sun, Shi-Gang; Lin, Wen-Feng

    2017-06-21

    Core-shell composites with strong phase-phase contact could provide an incentive for catalytic activity. A simple, yet efficient, H 2 O-mediated method has been developed to synthesize a mesoscopic core-shell W@WC architecture with a dodecahedral microstructure, via a one-pot reaction. The H 2 O plays an important role in the resistance of carbon diffusion, resulting in the formation of the W core and W-terminated WC shell. Density functional theory (DFT) calculations reveal that adding W as core reduced the oxygen adsorption energy and provided the W-terminated WC surface. The W@WC exhibits significant electrocatalytic activities toward hydrogen evolution and nitrobenzene electroreduction reactions, which are comparable to those found for commercial Pt/C, and substantially higher than those found for meso- and nano-WC materials. The experimental results were explained by DFT calculations based on the energy profiles in the hydrogen evolution reactions over WC, W@WC, and Pt model surfaces. The W@WC also shows a high thermal stability and thus may serve as a promising more economical alternative to Pt catalysts in these important energy conversion and environmental protection applications. The current approach can also be extended or adapted to various metals and carbides, allowing for the design and fabrication of a wide range of catalytic and other multifunctional composites.

  15. Biomimicry Promotes the Efficiency of a 10-Step Sequential Enzymatic Reaction on Nanoparticles, Converting Glucose to Lactate.

    Science.gov (United States)

    Mukai, Chinatsu; Gao, Lizeng; Nelson, Jacquelyn L; Lata, James P; Cohen, Roy; Wu, Lauren; Hinchman, Meleana M; Bergkvist, Magnus; Sherwood, Robert W; Zhang, Sheng; Travis, Alexander J

    2017-01-02

    For nanobiotechnology to achieve its potential, complex organic-inorganic systems must grow to utilize the sequential functions of multiple biological components. Critical challenges exist: immobilizing enzymes can block substrate-binding sites or prohibit conformational changes, substrate composition can interfere with activity, and multistep reactions risk diffusion of intermediates. As a result, the most complex tethered reaction reported involves only 3 enzymes. Inspired by the oriented immobilization of glycolytic enzymes on the fibrous sheath of mammalian sperm, here we show a complex reaction of 10 enzymes tethered to nanoparticles. Although individual enzyme efficiency was higher in solution, the efficacy of the 10-step pathway measured by conversion of glucose to lactate was significantly higher when tethered. To our knowledge, this is the most complex organic-inorganic system described, and it shows that tethered, multi-step biological pathways can be reconstituted in hybrid systems to carry out functions such as energy production or delivery of molecular cargo. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Efficient oscillation regimes of an HF laser pumped by a nonchain chemical reaction initiated by a self-sustained discharge

    International Nuclear Information System (INIS)

    Panchenko, Aleksei N; Orlovskii, Viktor M; Tarasenko, Viktor F; Baksht, E Kh

    2003-01-01

    The amplitude - time and spectral characteristics of laser radiation and discharge characteristics in mixtures of SF 6 with hydrogen and hydrocarbons at a high lasing efficiency are investigated. Lasing efficiencies of ∼10 % with respect to the deposited energy are obtained under the pumping from capacitive and inductive energy storage units. It is shown that, during a pump pulse, the maximum efficiencies are achieved at high values of the parameter E/p in the laser gap. When profiled electrodes and UV preionisation are used, a specific output energy of a nonchain HF laser of ∼140 J L -1 atm -1 and a lasing efficiency of ∼4.5 % with respect to the stored energy were obtained. It is shown that the emission spectrum of a nonchain HF laser operating at high lasing efficiencies becomes significantly wider and cascade lasing is realised on the ν(3-2) → ν(2-1) → ν(1-0) vibrational transitions at several rotational lines. (lasers)

  17. Invading stacking primer: A trigger for high-efficiency isothermal amplification reaction with superior selectivity for detecting microRNA variants.

    Science.gov (United States)

    Liu, Weipeng; Zhu, Minjun; Liu, Hongxing; Wei, Jitao; Zhou, Xiaoming; Xing, Da

    2016-07-15

    Searching for a strategy to enhance the efficiency of nucleic acid amplification and achieve exquisite discrimination of nucleic acids at the single-base level for biological detection has become an exciting research direction in recent years. Here, we have developed a simple and universal primer design strategy which produces a fascinating effect on isothermal strand displacement amplification (iSDA). We refer to the resultant primer as "invading stacking primer (IS-Primer)" which is based on contiguous stacking hybridization and toehold-mediated exchange reaction and function by merely changing the hybridization location of the primer. Using the IS-Primer, the sensitivity in detecting the target miR-21 is improved approximately five fold compared with the traditional iSDA reaction. It was further demonstrated that the IS-Primer acts as an invading strand to initiate branch migration which can increase the efficiency of the untwisting of the hairpin probe. This effect is equivalent to reducing the free energy of the stem, and the technique shows superior selectivity for single-base mismatches. By demonstrating the enhanced effect of the IS-Primer in the iSDA reaction, this work may provide a potentially new avenue for developing more sensitive and selective nucleic acids assays. Copyright © 2016 Elsevier B.V. All rights reserved.

  18. Polyethylene Glycol (PEG-400: An Efficient and Recyclable Reaction Medium for the Synthesis of Pyrazolo[3,4-b]pyridin-6(7H-one Derivatives

    Directory of Open Access Journals (Sweden)

    Deming Wang

    2013-10-01

    Full Text Available A mild and efficient synthesis of pyrazolo[3,4-b]pyridine-6(7H-one derivatives via a three-component reaction of an aldehyde, Meldrum’s acid and 3-methyl-1H-pyrazol-5-amine using recyclable polyethylene glycol (PEG-400 as a reaction medium is described. This method has the advantages of accessible starting materials, good yields, mild reaction conditions and begin environmentally friendly.

  19. Efficient Levenberg-Marquardt minimization of the maximum likelihood estimator for Poisson deviates

    International Nuclear Information System (INIS)

    Laurence, T.; Chromy, B.

    2010-01-01

    Histograms of counted events are Poisson distributed, but are typically fitted without justification using nonlinear least squares fitting. The more appropriate maximum likelihood estimator (MLE) for Poisson distributed data is seldom used. We extend the use of the Levenberg-Marquardt algorithm commonly used for nonlinear least squares minimization for use with the MLE for Poisson distributed data. In so doing, we remove any excuse for not using this more appropriate MLE. We demonstrate the use of the algorithm and the superior performance of the MLE using simulations and experiments in the context of fluorescence lifetime imaging. Scientists commonly form histograms of counted events from their data, and extract parameters by fitting to a specified model. Assuming that the probability of occurrence for each bin is small, event counts in the histogram bins will be distributed according to the Poisson distribution. We develop here an efficient algorithm for fitting event counting histograms using the maximum likelihood estimator (MLE) for Poisson distributed data, rather than the non-linear least squares measure. This algorithm is a simple extension of the common Levenberg-Marquardt (L-M) algorithm, is simple to implement, quick and robust. Fitting using a least squares measure is most common, but it is the maximum likelihood estimator only for Gaussian-distributed data. Non-linear least squares methods may be applied to event counting histograms in cases where the number of events is very large, so that the Poisson distribution is well approximated by a Gaussian. However, it is not easy to satisfy this criterion in practice - which requires a large number of events. It has been well-known for years that least squares procedures lead to biased results when applied to Poisson-distributed data; a recent paper providing extensive characterization of these biases in exponential fitting is given. The more appropriate measure based on the maximum likelihood estimator (MLE

  20. Propargylamine-isothiocyanate reaction: efficient conjugation chemistry in aqueous media

    DEFF Research Database (Denmark)

    Viart, Helene Marie-France; Larsen, T. S.; Tassone, Chiara

    2014-01-01

    A coupling reaction between secondary propargyl amines and isothiocyanates in aqueous media is described. The reaction is high-yielding and affords cyclized products within 2-24 h. A functionalized ether lipid was synthesized in 8 steps, formulated as liposomes with POPC and conjugated to FITC un...

  1. Three-dimensional iron, nitrogen-doped carbon foams as efficient electrocatalysts for oxygen reduction reaction in alkaline solution

    International Nuclear Information System (INIS)

    Ma, Yanjiao; Wang, Hui; Feng, Hanqing; Ji, Shan; Mao, Xuefeng; Wang, Rongfang

    2014-01-01

    Graphical abstract: Three-dimentional Fe, N-doped carbon foams prepared by two steps exhibited comparable catalytic activity for oxygen reduction reaction to commercial Pt/C due to the unique structure and the synergistic effect of Fe and N atoms. - Highlights: • Three-dimensional Fe, N-doped carbon foam (3D-CF) were prepared. • 3D-CF exhibits comparable catalytic activity to Pt/C for oxygen reduction reaction. • The enhanced activity of 3D-CF results of its unique structure. - Abstract: Three-dimensional (3D) Fe, N-doped carbon foams (3D-CF) as efficient cathode catalysts for the oxygen reduction reaction (ORR) in alkaline solution are reported. The 3D-CF exhibit interconnected hierarchical pore structure. In addition, Fe, N-doped carbon without porous strucuture (Fe-N-C) and 3D N-doped carbon without Fe (3D-CF’) are prepared to verify the electrocatalytic activity of 3D-CF. The electrocatalytic performance of as-prepared 3D-CF for ORR shows that the onset potential on 3D-CF electrode positively shifts about 41 mV than those of 3D-CF’ and Fe-N-C respectively. In addition, the onset potential on 3D-CF electrode for ORR is about 27 mV more negative than that on commercial Pt/C electrode. 3D-CF also show better methanol tolerance and durability than commercial Pt/C catalyst. These results show that to synthesize 3D hierarchical pores with high specific surface area is an efficient way to improve the ORR performance

  2. Efficient Sonogashira and Suzuki-Miyaura coupling reaction ...

    Indian Academy of Sciences (India)

    with short reaction time and good-to-excellent product yield. Keywords. Electrochemistry .... We started optimization study with variety of solvents (table 1, entry 1–6) ... did not show any significant increase in product yield. (table 1, entries 8 and ...

  3. Artificial Neural Network In Maximum Power Point Tracking Algorithm Of Photovoltaic Systems

    Directory of Open Access Journals (Sweden)

    Modestas Pikutis

    2014-05-01

    Full Text Available Scientists are looking for ways to improve the efficiency of solar cells all the time. The efficiency of solar cells which are available to the general public is up to 20%. Part of the solar energy is unused and a capacity of solar power plant is significantly reduced – if slow controller or controller which cannot stay at maximum power point of solar modules is used. Various algorithms of maximum power point tracking were created, but mostly algorithms are slow or make mistakes. In the literature more and more oftenartificial neural networks (ANN in maximum power point tracking process are mentioned, in order to improve performance of the controller. Self-learner artificial neural network and IncCond algorithm were used for maximum power point tracking in created solar power plant model. The algorithm for control was created. Solar power plant model is implemented in Matlab/Simulink environment.

  4. Temperature effects on lithium-nitrogen reaction rates

    International Nuclear Information System (INIS)

    Ijams, W.J.; Kazimi, M.S.

    1985-08-01

    A series of experiments have been run with the aim of measuring the reaction rate of lithium and nitrogen over a wide spectrum of lithium pool temperatures. In these experiments, pure nitrogen was blown at a controlled flow rate over a preheated lithium pool. The pool had a surface area of approximately 4 cm 2 and a total volume of approximately 6 cm 3 . The system pressure varied from 0 to 4 psig. The reaction rate was very small - approximately 0.002 to 0.003 g Li min cm 2 for lithium temperatures below 500 0 C. Above 500 0 C the reaction rate began to increase sharply, and reached a maximum of approximately 0.80 g Li min cm 2 above 700 0 C. It dropped off beyond 1000 0 C and seemed to approach zero at 1150 0 C. The maximum reaction rate observed in these forced convection experiments was higher by 60% than those previously observed in experiments where the nitrogen flowed to the reaction site by means of natural convection. During a reaction, a hard nitride layer built up on the surface of the lithium pool - its effect on the reaction rate was observed. The effect of the nitrogen flow rate on the reaction rate was also observed

  5. Microprocessor-controlled step-down maximum-power-point tracker for photovoltaic systems

    Science.gov (United States)

    Mazmuder, R. K.; Haidar, S.

    1992-12-01

    An efficient maximum power point tracker (MPPT) has been developed and can be used with a photovoltaic (PV) array and a load which requires lower voltage than the PV array voltage to be operated. The MPPT makes the PV array to operate at maximum power point (MPP) under all insolation and temperature, which ensures the maximum amount of available PV power to be delivered to the load. The performance of the MPPT has been studied under different insolation levels.

  6. One-pot synthesis of 2H-pyrans by indium(III) chloride-catalyzed reactions. efficient synthesis of pyranocoumarins, pyranophenalenones, and pyranoquinolinones

    International Nuclear Information System (INIS)

    Lee, Yong Rok; Kim, Do Hoon; Shim, Jae Jin; Kim, Seog K.; Park, Jung Hag; Cha, Jin Soon; Lee, Chong Soon

    2002-01-01

    An efficient synthesis of 2H-pyrans is achieved by indium (III) chloride-catalyzed reactions of 1,3-dicarbonyl compounds with a variety of α.β-unsaturated aldehydes in moderates yields. This method has been applied to the synthesis of pyranocoumarins, pyranophenaleneones, and pyranoquinolinone alkaloids

  7. One-pot synthesis of 2H-pyrans by indium(III) chloride-catalyzed reactions. efficient synthesis of pyranocoumarins, pyranophenalenones, and pyranoquinolinones

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Yong Rok; Kim, Do Hoon; Shim, Jae Jin; Kim, Seog K.; Park, Jung Hag; Cha, Jin Soon; Lee, Chong Soon [Yeungnam Univ., Kyongsan (Korea, Republic of)

    2002-08-01

    An efficient synthesis of 2H-pyrans is achieved by indium (III) chloride-catalyzed reactions of 1,3-dicarbonyl compounds with a variety of {alpha}.{beta}-unsaturated aldehydes in moderates yields. This method has been applied to the synthesis of pyranocoumarins, pyranophenaleneones, and pyranoquinolinone alkaloids.

  8. Maximum herd efficiency in meat production II. The influence of ...

    African Journals Online (AJOL)

    surface in terms of plots of total efficiency against percentages of mature body .... Dickerson (1978) shows that, for cattle and sheep, the energy .... protein metabolism. ... metric slope b is a scale-free parameter is convenient and .... Simulation.

  9. Supported Nanosized α-FeOOH Improves Efficiency of Photoelectro-Fenton Process with Reaction-Controlled pH Adjustment for Sustainable Water Treatment

    Directory of Open Access Journals (Sweden)

    Chuan Wang

    2012-01-01

    Full Text Available The overall photoelectro-Fenton (PE-Fenton process for water treatment with neutral initial pH includes three steps of pH reduction, PE-Fenton reaction, and pH elevation. Reaction-controlled pH adjustment (RCpA, which utilizes the intrinsic electrochemical reactions instead of chemical addition, has been employed to lower the pH, maintain the lowered pH for the Fenton reaction, and recover the pH for final effluent discharge. This study demonstrated that the overall efficiency of this sustainable PE-Fenton process was improved by rapidly recycling the iron substance. Nanosized iron oxide was prepared and employed to ensure such rapid recycling. SEM and XRD results showed that the as-prepared iron oxide was α-FeOOH with 20 nm in size. The experimental results of dimethyl phthalate (DMP degradation showed that diatomite-supported α-FeOOH (N-α-FeOOH/diatomite could efficiently reduce the DMP concentration and total organic carbon. Furthermore, compared with Fe3+, the N-α-FeOOH/diatomite saved 160 min for iron settlement at 20 mg L−1 DMP concentration. Also, with the increment in the initial DMP concentration, extra energy consumed by the individual step of PE-Fenton reaction using the N-α-FeOOH/diatomite became negligible compared with that using free iron ions with the increment in the initial DMP concentration. This development is expected to be a major step of the PE-Fenton process with RCpA towards actual water treatment.

  10. Substrate-Directed Catalytic Selective Chemical Reactions.

    Science.gov (United States)

    Sawano, Takahiro; Yamamoto, Hisashi

    2018-05-04

    The development of highly efficient reactions at only the desired position is one of the most important subjects in organic chemistry. Most of the reactions in current organic chemistry are reagent- or catalyst-controlled reactions, and the regio- and stereoselectivity of the reactions are determined by the inherent nature of the reagent or catalyst. In sharp contrast, substrate-directed reaction determines the selectivity of the reactions by the functional group on the substrate and can strictly distinguish sterically and electronically similar multiple reaction sites in the substrate. In this Perspective, three topics of substrate-directed reaction are mainly reviewed: (1) directing group-assisted epoxidation of alkenes, (2) ring-opening reactions of epoxides by various nucleophiles, and (3) catalytic peptide synthesis. Our newly developed synthetic methods with new ligands including hydroxamic acid derived ligands realized not only highly efficient reactions but also pinpointed reactions at the expected position, demonstrating the substrate-directed reaction as a powerful method to achieve the desired regio- and stereoselective functionalization of molecules from different viewpoints of reagent- or catalyst-controlled reactions.

  11. Maximum Work of Free-Piston Stirling Engine Generators

    Science.gov (United States)

    Kojima, Shinji

    2017-04-01

    Using the method of adjoint equations described in Ref. [1], we have calculated the maximum thermal efficiencies that are theoretically attainable by free-piston Stirling and Carnot engine generators by considering the work loss due to friction and Joule heat. The net work done by the Carnot cycle is negative even when the duration of heat addition is optimized to give the maximum amount of heat addition, which is the same situation for the Brayton cycle described in our previous paper. For the Stirling cycle, the net work done is positive, and the thermal efficiency is greater than that of the Otto cycle described in our previous paper by a factor of about 2.7-1.4 for compression ratios of 5-30. The Stirling cycle is much better than the Otto, Brayton, and Carnot cycles. We have found that the optimized piston trajectories of the isothermal, isobaric, and adiabatic processes are the same when the compression ratio and the maximum volume of the same working fluid of the three processes are the same, which has facilitated the present analysis because the optimized piston trajectories of the Carnot and Stirling cycles are the same as those of the Brayton and Otto cycles, respectively.

  12. The Betz-Joukowsky limit for the maximum power coefficient of wind turbines

    DEFF Research Database (Denmark)

    Okulov, Valery; van Kuik, G.A.M.

    2009-01-01

    The article addresses to a history of an important scientific result in wind energy. The maximum efficiency of an ideal wind turbine rotor is well known as the ‘Betz limit’, named after the German scientist that formulated this maximum in 1920. Also Lanchester, a British scientist, is associated...

  13. Fundamental Researches on the High-speed and High-efficiency Steelmaking Reaction

    Science.gov (United States)

    Kitamura, Shin-ya; Shibata, Hiroyuki; Maruoka, Nobuhiro

    2012-06-01

    Traditionally, steelmaking reactions have been analyzed by thermodynamics. Recently, software packages that can be used to calculate the equilibrium conditions have improved greatly. In some cases, information obtained in this software is useful for analyzing the steelmaking reaction. On the other hand, in industrial operation, steelmaking reactions, i.e., decarburization, dephosphorization, desulfurization or nitrogen removal, do not reach the equilibrium condition. Therefore, the kinetic model is very important for gaining a theoretical understanding of the steelmaking reaction. In this paper, the following recent research activities were shown; 1) mass transfer of impurities between solid oxide and liquid slag, 2) simulation model of hot metal dephosphorization by multiphase slag, 3) evaluation of reaction rate at bath surface in gas-liquid reaction system and 4) condition for forming of metal emulsion by bottom bubbling.

  14. Application of Maximum Entropy Distribution to the Statistical Properties of Wave Groups

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The new distributions of the statistics of wave groups based on the maximum entropy principle are presented. The maximum entropy distributions appear to be superior to conventional distributions when applied to a limited amount of information. Its applications to the wave group properties show the effectiveness of the maximum entropy distribution. FFT filtering method is employed to obtain the wave envelope fast and efficiently. Comparisons of both the maximum entropy distribution and the distribution of Longuet-Higgins (1984) with the laboratory wind-wave data show that the former gives a better fit.

  15. Transformation of ranitidine during water chlorination and ozonation: Moiety-specific reaction kinetics and elimination efficiency of NDMA formation potential.

    Science.gov (United States)

    Jeon, Dahee; Kim, Jisoo; Shin, Jaedon; Hidayat, Zahra Ramadhany; Na, Soyoung; Lee, Yunho

    2016-11-15

    Ranitidine can produce high yields of N-nitrosodimethylamine (NDMA) upon chloramination and its presence in water resources is a concern for water utilities using chloramine disinfection. This study assessed the efficiency of water chlorination and ozonation in transforming ranitidine and eliminating its NDMA formation potential (NDMA-FP) by determining moiety-specific reaction kinetics, stoichiometric factors, and elimination levels in real water matrices. Despite the fact that chlorine reacts rapidly with the acetamidine and thioether moieties of ranitidine (k>10(8)M(-1)s(-1) at pH 7), the NDMA-FP decreases significantly only when chlorine reacts with the less reactive tertiary amine (k=3×10(3)M(-1)s(-1) at pH 7) or furan moiety (k=81M(-1)s(-1) at pH 7). Ozone reacts rapidly with all four moieties of ranitidine (k=1.5×10(5)-1.6×10(6)M(-1)s(-1) at pH 7) and its reaction with the tertiary amine or furan moiety leads to complete elimination of the NDMA-FP. Treatments of ranitidine-spiked real water samples have shown that ozonation can efficiently deactivate ranitidine in water and wastewater treatment, while chlorination can be efficient for water containing low concentration of ammonia. This result can be applied to the other structurally similar, potent NDMA precursors. Copyright © 2016 Elsevier B.V. All rights reserved.

  16. Optimizing Chemical Reactions with Deep Reinforcement Learning.

    Science.gov (United States)

    Zhou, Zhenpeng; Li, Xiaocheng; Zare, Richard N

    2017-12-27

    Deep reinforcement learning was employed to optimize chemical reactions. Our model iteratively records the results of a chemical reaction and chooses new experimental conditions to improve the reaction outcome. This model outperformed a state-of-the-art blackbox optimization algorithm by using 71% fewer steps on both simulations and real reactions. Furthermore, we introduced an efficient exploration strategy by drawing the reaction conditions from certain probability distributions, which resulted in an improvement on regret from 0.062 to 0.039 compared with a deterministic policy. Combining the efficient exploration policy with accelerated microdroplet reactions, optimal reaction conditions were determined in 30 min for the four reactions considered, and a better understanding of the factors that control microdroplet reactions was reached. Moreover, our model showed a better performance after training on reactions with similar or even dissimilar underlying mechanisms, which demonstrates its learning ability.

  17. Maximum herd efficiency in meat production I. Optima for slaughter ...

    African Journals Online (AJOL)

    Profit rate for a meat production enterprise can be decomposedinto the unit price for meat and herd ... supply and demand, whereas breeding improvement is gen- ... Herd efficiency is total live mass for slaughter divided by costs .... tenance and above-maintenance components by Dickerson, and ..... Growth and productivity.

  18. Parametric optimization of thermoelectric elements footprint for maximum power generation

    DEFF Research Database (Denmark)

    Rezania, A.; Rosendahl, Lasse; Yin, Hao

    2014-01-01

    The development studies in thermoelectric generator (TEG) systems are mostly disconnected to parametric optimization of the module components. In this study, optimum footprint ratio of n- and p-type thermoelectric (TE) elements is explored to achieve maximum power generation, maximum cost......-performance, and variation of efficiency in the uni-couple over a wide range of the heat transfer coefficient on the cold junction. The three-dimensional (3D) governing equations of the thermoelectricity and the heat transfer are solved using the finite element method (FEM) for temperature dependent properties of TE...... materials. The results, which are in good agreement with the previous computational studies, show that the maximum power generation and the maximum cost-performance in the module occur at An/Ap

  19. Efficient computation of electrograms and ECGs in human whole heart simulations using a reaction-eikonal model.

    Science.gov (United States)

    Neic, Aurel; Campos, Fernando O; Prassl, Anton J; Niederer, Steven A; Bishop, Martin J; Vigmond, Edward J; Plank, Gernot

    2017-10-01

    Anatomically accurate and biophysically detailed bidomain models of the human heart have proven a powerful tool for gaining quantitative insight into the links between electrical sources in the myocardium and the concomitant current flow in the surrounding medium as they represent their relationship mechanistically based on first principles. Such models are increasingly considered as a clinical research tool with the perspective of being used, ultimately, as a complementary diagnostic modality. An important prerequisite in many clinical modeling applications is the ability of models to faithfully replicate potential maps and electrograms recorded from a given patient. However, while the personalization of electrophysiology models based on the gold standard bidomain formulation is in principle feasible, the associated computational expenses are significant, rendering their use incompatible with clinical time frames. In this study we report on the development of a novel computationally efficient reaction-eikonal (R-E) model for modeling extracellular potential maps and electrograms. Using a biventricular human electrophysiology model, which incorporates a topologically realistic His-Purkinje system (HPS), we demonstrate by comparing against a high-resolution reaction-diffusion (R-D) bidomain model that the R-E model predicts extracellular potential fields, electrograms as well as ECGs at the body surface with high fidelity and offers vast computational savings greater than three orders of magnitude. Due to their efficiency R-E models are ideally suitable for forward simulations in clinical modeling studies which attempt to personalize electrophysiological model features.

  20. Artificial Chemical Reporter Targeting Strategy Using Bioorthogonal Click Reaction for Improving Active-Targeting Efficiency of Tumor.

    Science.gov (United States)

    Yoon, Hong Yeol; Shin, Min Lee; Shim, Man Kyu; Lee, Sangmin; Na, Jin Hee; Koo, Heebeom; Lee, Hyukjin; Kim, Jong-Ho; Lee, Kuen Yong; Kim, Kwangmeyung; Kwon, Ick Chan

    2017-05-01

    Biological ligands such as aptamer, antibody, glucose, and peptide have been widely used to bind specific surface molecules or receptors in tumor cells or subcellular structures to improve tumor-targeting efficiency of nanoparticles. However, this active-targeting strategy has limitations for tumor targeting due to inter- and intraheterogeneity of tumors. In this study, we demonstrated an alternative active-targeting strategy using metabolic engineering and bioorthogonal click reaction to improve tumor-targeting efficiency of nanoparticles. We observed that azide-containing chemical reporters were successfully generated onto surface glycans of various tumor cells such as lung cancer (A549), brain cancer (U87), and breast cancer (BT-474, MDA-MB231, MCF-7) via metabolic engineering in vitro. In addition, we compared tumor targeting of artificial azide reporter with bicyclononyne (BCN)-conjugated glycol chitosan nanoparticles (BCN-CNPs) and integrin α v β 3 with cyclic RGD-conjugated CNPs (cRGD-CNPs) in vitro and in vivo. Fluorescence intensity of azide-reporter-targeted BCN-CNPs in tumor tissues was 1.6-fold higher and with a more uniform distribution compared to that of cRGD-CNPs. Moreover, even in the isolated heterogeneous U87 cells, BCN-CNPs could bind artificial azide reporters on tumor cells more uniformly (∼92.9%) compared to cRGD-CNPs. Therefore, the artificial azide-reporter-targeting strategy can be utilized for targeting heterogeneous tumor cells via bioorthogonal click reaction and may provide an alternative method of tumor targeting for further investigation in cancer therapy.

  1. Maximum efficiency of wind turbine rotors using Joukowsky and Betz approaches

    DEFF Research Database (Denmark)

    Okulov, Valery; Sørensen, Jens Nørkær

    2010-01-01

    On the basis of the concepts outlined by Joukowsky nearly a century ago, an analytical aerodynamic optimization model is developed for rotors with a finite number of blades and constant circulation distribution. In the paper, we show the basics of the new model and compare its efficiency with res......On the basis of the concepts outlined by Joukowsky nearly a century ago, an analytical aerodynamic optimization model is developed for rotors with a finite number of blades and constant circulation distribution. In the paper, we show the basics of the new model and compare its efficiency...

  2. Reaction energetics on long-range corrected density functional theory: Diels-Alder reactions.

    Science.gov (United States)

    Singh, Raman K; Tsuneda, Takao

    2013-02-15

    The possibility of quantitative reaction analysis on the orbital energies of long-range corrected density functional theory (LC-DFT) is presented. First, we calculated the Diels-Alder reaction enthalpies that have been poorly given by conventional functionals including B3LYP functional. As a result, it is found that the long-range correction drastically improves the reaction enthalpies. The barrier height energies were also computed for these reactions. Consequently, we found that dispersion correlation correction is also crucial to give accurate barrier height energies. It is, therefore, concluded that both long-range exchange interactions and dispersion correlations are essentially required in conventional functionals to investigate Diels-Alder reactions quantitatively. After confirming that LC-DFT accurately reproduces the orbital energies of the reactant and product molecules of the Diels-Alder reactions, the global hardness responses, the halves of highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) energy gaps, along the intrinsic reaction coordinates of two Diels-Alder reactions were computed. We noticed that LC-DFT results satisfy the maximum hardness rule for overall reaction paths while conventional functionals violate this rule on the reaction pathways. Furthermore, our results also show that the HOMO-LUMO gap variations are close to the reaction enthalpies for these Diels-Alder reactions. Based on these results, we foresee quantitative reaction analysis on the orbital energies. Copyright © 2012 Wiley Periodicals, Inc.

  3. A novel tandem Betti/Ullmann oxidation reaction as an efficient route ...

    Indian Academy of Sciences (India)

    Betti reaction; cross-coupling reaction; oxidation; heterogeneous catalysis. Abstract. A novel tandem Betti/Ullmann/oxidation reaction was used for synthesis of new oxazepine derivatives containing kojic acid. This protocol ... This method provides a new and useful strategy for the construction of heterocycles. Also novel Betti ...

  4. Cu2O/CuO Bilayered Composite as a High-Efficiency Photocathode for Photoelectrochemical Hydrogen Evolution Reaction

    Science.gov (United States)

    Yang, Yang; Xu, Di; Wu, Qingyong; Diao, Peng

    2016-10-01

    Solar powered hydrogen evolution reaction (HER) is one of the key reactions in solar-to-chemical energy conversion. It is desirable to develop photocathodic materials that exhibit high activity toward photoelectrochemical (PEC) HER at more positive potentials because a higher potential means a lower overpotential for HER. In this work, the Cu2O/CuO bilayered composites were prepared by a facile method that involved an electrodeposition and a subsequent thermal oxidation. The resulting Cu2O/CuO bilayered composites exhibited a surprisingly high activity and good stability toward PEC HER, expecially at high potentials in alkaline solution. The photocurrent density for HER was 3.15 mA·cm-2 at the potential of 0.40 V vs. RHE, which was one of the two highest reported at the same potential on copper-oxide-based photocathode. The high photoactivity of the bilayered composite was ascribed to the following three advantages of the Cu2O/CuO heterojunction: (1) the broadened light absorption band that made more efficient use of solar energy, (2) the large space-charge-region potential that enabled a high efficiency for electron-hole separation, and (3) the high majority carrier density that ensured a faster charge transportation rate. This work reveals the potential of the Cu2O/CuO bilayered composite as a promising photocathodic material for solar water splitting.

  5. On the Use of "Green" Metrics in the Undergraduate Organic Chemistry Lecture and Lab to Assess the Mass Efficiency of Organic Reactions

    Science.gov (United States)

    Andraos, John; Sayed, Murtuzaali

    2007-01-01

    A general analysis of reaction mass efficiency and raw material cost is developed using an Excel spread sheet format which can be applied to any chemical transformation. These new methods can be easily incorporated into standard laboratory exercises.

  6. Maximum Efficiency of Thermoelectric Heat Conversion in High-Temperature Power Devices

    Directory of Open Access Journals (Sweden)

    V. I. Khvesyuk

    2016-01-01

    Full Text Available Modern trends in development of aircraft engineering go with development of vehicles of the fifth generation. The features of aircrafts of the fifth generation are motivation to use new high-performance systems of onboard power supply. The operating temperature of the outer walls of engines is of 800–1000 K. This corresponds to radiation heat flux of 10 kW/m2 . The thermal energy including radiation of the engine wall may potentially be converted into electricity. The main objective of this paper is to analyze if it is possible to use a high efficiency thermoelectric conversion of heat into electricity. The paper considers issues such as working processes, choice of materials, and optimization of thermoelectric conversion. It presents the analysis results of operating conditions of thermoelectric generator (TEG used in advanced hightemperature power devices. A high-temperature heat source is a favorable factor for the thermoelectric conversion of heat. It is shown that for existing thermoelectric materials a theoretical conversion efficiency can reach the level of 15–20% at temperatures up to 1500 K and available values of Ioffe parameter being ZT = 2–3 (Z is figure of merit, T is temperature. To ensure temperature regime and high efficiency thermoelectric conversion simultaneously it is necessary to have a certain match between TEG power, temperature of hot and cold surfaces, and heat transfer coefficient of the cooling system. The paper discusses a concept of radiation absorber on the TEG hot surface. The analysis has demonstrated a number of potentialities for highly efficient conversion through using the TEG in high-temperature power devices. This work has been implemented under support of the Ministry of Education and Science of the Russian Federation; project No. 1145 (the programme “Organization of Research Engineering Activities”.

  7. High-Efficiency Artificial Photosynthesis Using a Novel Alkaline Membrane Cell

    Science.gov (United States)

    Narayan, Sri; Haines, Brennan; Blosiu, Julian; Marzwell, Neville

    2009-01-01

    A new cell designed to mimic the photosynthetic processes of plants to convert carbon dioxide into carbonaceous products and oxygen at high efficiency, has an improved configuration using a polymer membrane electrolyte and an alkaline medium. This increases efficiency of the artificial photosynthetic process, achieves high conversion rates, permits the use of inexpensive catalysts, and widens the range of products generated by this type of process. The alkaline membrane electrolyte allows for the continuous generation of sodium formate without the need for any additional separation system. The electrolyte type, pH, electrocatalyst type, and cell voltage were found to have a strong effect on the efficiency of conversion of carbon dioxide to formate. Indium electrodes were found to have higher conversion efficiency compared to lead. Bicarbonate electrolyte offers higher conversion efficiency and higher rates than water solutions saturated with carbon dioxide. pH values between 8 and 9 lead to the maximum values of efficiency. The operating cell voltage of 2.5 V, or higher, ensures conversion of the carbon dioxide to formate, although the hydrogen evolution reaction begins to compete strongly with the formate production reaction at higher cell voltages. Formate is produced at indium and lead electrodes at a conversion efficiency of 48 mg of CO2/kilojoule of energy input. This efficiency is about eight times that of natural photosynthesis in green plants. The electrochemical method of artificial photosynthesis is a promising approach for the conversion, separation and sequestration of carbon dioxide for confined environments as in space habitats, and also for carbon dioxide management in the terrestrial context. The heart of the reactor is a membrane cell fabricated from an alkaline polymer electrolyte membrane and catalyst- coated electrodes. This cell is assembled and held in compression in gold-plated hardware. The cathode side of the cell is supplied with carbon

  8. Calculation of reaction energies and adiabatic temperatures for waste tank reactions

    International Nuclear Information System (INIS)

    Burger, L.L.

    1993-03-01

    Continual concern has been expressed over potentially hazardous exothermic reactions that might occur in underground Hanford waste tanks. These tanks contain many different oxidizable compounds covering a wide range of concentrations. Several may be in concentrations and quantities great enough to be considered a hazard in that they could undergo rapid and energetic chemical reactions with nitrate and nitrite salts that are present. The tanks also contain many inorganic compounds inert to oxidation. In this report the computed energy that may be released when various organic and inorganic compounds react is computed as a function of the reaction mix composition and the temperature. The enthalpy, or integrated heat capacity, of these compounds and various reaction products is presented as a function of temperature, and the enthalpy of a given mixture can then be equated to the energy release from various reactions to predict the maximum temperature that may be reached. This is estimated for several different compositions. Alternatively, the amounts of various diluents required to prevent the temperature from reaching a critical value can be estimated

  9. Bismuth nitrate as an efficient recyclable catalyst for the one-pot multi component synthesis of 1,4-dihydropyridine derivatives through unsymmetrical Hantzsch reaction

    Directory of Open Access Journals (Sweden)

    S. Sheik Mansoor

    2016-09-01

    Full Text Available Bismuth nitrate catalyzed efficient Hantzsch reaction via four-component coupling reactions of aromatic aldehydes, 5,5-dimethyl-1,3-cyclohexanedione (dimedone, ethyl acetoacetate and ammonium acetate at 80 °C temperature was described as the preparation of 1,4-dihydropyridine derivatives. 2-Amino-4-phenyl-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline derivatives are also prepared under the same experimental conditions using aldehydes, dimedone, malononitrile and ammonium acetate in good yield. The higher catalytic activity of Bi(NO3·5H2O is ascribed to its high acidity, thermal stability and water tolerance. The process presented here is operationally simple, environmentally benign and has excellent yield. Furthermore, the catalyst can be recovered conveniently and reused efficiently.

  10. Maximum power point tracking for photovoltaic solar pump based on ANFIS tuning system

    Directory of Open Access Journals (Sweden)

    S. Shabaan

    2018-05-01

    Full Text Available Solar photovoltaic (PV systems are a clean and naturally replenished energy source. PV panels have a unique point which represents the maximum available power and this point depend on the environmental conditions such as temperature and irradiance. A maximum power point tracking (MPPT is therefore necessary for maximum efficiency. In this paper, a study of MPPT for PV water pumping system based on adaptive neuro-fuzzy inference system (ANFIS is discussed. A comparison between the performance of the system with and without MPPT is carried out under varying irradiation and temperature conditions. ANFIS based controller shows fast response with high efficiency at all irradiance and temperature levels making it a powerful technique for non-linear systems as PV modules. Keywords: MPPT, ANFIS, Boost converter, PMDC pump

  11. Optimality principle for the coupled chemical reactions of ATP synthesis and its molecular interpretation

    Science.gov (United States)

    Nath, Sunil

    2018-05-01

    Metabolic energy obtained from the coupled chemical reactions of oxidative phosphorylation (OX PHOS) is harnessed in the form of ATP by cells. We experimentally measured thermodynamic forces and fluxes during ATP synthesis, and calculated the thermodynamic efficiency, η and the rate of free energy dissipation, Φ. We show that the OX PHOS system is tuned such that the coupled nonequilibrium processes operate at optimal η. This state does not coincide with the state of minimum Φ but is compatible with maximum Φ under the imposed constraints. Conditions that must hold for species concentration in order to satisfy the principle of optimal efficiency are derived analytically and a molecular explanation based on Nath's torsional mechanism of energy transduction and ATP synthesis is suggested. Differences of the proposed principle with Prigogine's principle are discussed.

  12. Petroleum production at Maximum Efficient Rate Naval Petroleum Reserve No. 1 (Elk Hills), Kern County, California

    International Nuclear Information System (INIS)

    1993-07-01

    This document provides an analysis of the potential impacts associated with the proposed action, which is continued operation of Naval Petroleum Reserve No. I (NPR-1) at the Maximum Efficient Rate (MER) as authorized by Public law 94-258, the Naval Petroleum Reserves Production Act of 1976 (Act). The document also provides a similar analysis of alternatives to the proposed action, which also involve continued operations, but under lower development scenarios and lower rates of production. NPR-1 is a large oil and gas field jointly owned and operated by the federal government and Chevron U.SA Inc. (CUSA) pursuant to a Unit Plan Contract that became effective in 1944; the government's interest is approximately 78% and CUSA's interest is approximately 22%. The government's interest is under the jurisdiction of the United States Department of Energy (DOE). The facility is approximately 17,409 acres (74 square miles), and it is located in Kern County, California, about 25 miles southwest of Bakersfield and 100 miles north of Los Angeles in the south central portion of the state. The environmental analysis presented herein is a supplement to the NPR-1 Final Environmental Impact Statement of that was issued by DOE in 1979 (1979 EIS). As such, this document is a Supplemental Environmental Impact Statement (SEIS)

  13. Efficient buchwald hartwig reaction catalyzed by spions-bis(NHC-Pd(II

    Directory of Open Access Journals (Sweden)

    Marzieh Ghotbinejad

    2016-01-01

    Full Text Available A powerful and convenient reaction procedure for the C-N coupling reaction (the Buchwald-Hartwig reaction, yielding products of N-arylanilines and N-arylamines in both conventional heating and microwave irradiation has been reported. The protocol utilizes a stable and new supper ferromagnetic nanoparticle chelating N-heterocyclic dicarbene palladium(II complex (Pd-NHC as catalyst which helps/allows us to complete the reaction with only 0.002 mol% Pd producing high yield products. We also examined the reusability of the catalyst. It was found that the catalyst could be recovered by external magnetic field and  reused for seven times without obvious loss in catalytic activity.

  14. Maximum Likelihood, Consistency and Data Envelopment Analysis: A Statistical Foundation

    OpenAIRE

    Rajiv D. Banker

    1993-01-01

    This paper provides a formal statistical basis for the efficiency evaluation techniques of data envelopment analysis (DEA). DEA estimators of the best practice monotone increasing and concave production function are shown to be also maximum likelihood estimators if the deviation of actual output from the efficient output is regarded as a stochastic variable with a monotone decreasing probability density function. While the best practice frontier estimator is biased below the theoretical front...

  15. Maximum stress estimation model for multi-span waler beams with deflections at the supports using average strains.

    Science.gov (United States)

    Park, Sung Woo; Oh, Byung Kwan; Park, Hyo Seon

    2015-03-30

    The safety of a multi-span waler beam subjected simultaneously to a distributed load and deflections at its supports can be secured by limiting the maximum stress of the beam to a specific value to prevent the beam from reaching a limit state for failure or collapse. Despite the fact that the vast majority of accidents on construction sites occur at waler beams in retaining wall systems, no safety monitoring model that can consider deflections at the supports of the beam is available. In this paper, a maximum stress estimation model for a waler beam based on average strains measured from vibrating wire strain gauges (VWSGs), the most frequently used sensors in construction field, is presented. The model is derived by defining the relationship between the maximum stress and the average strains measured from VWSGs. In addition to the maximum stress, support reactions, deflections at supports, and the magnitudes of distributed loads for the beam structure can be identified by the estimation model using the average strains. Using simulation tests on two multi-span beams, the performance of the model is evaluated by estimating maximum stress, deflections at supports, support reactions, and the magnitudes of distributed loads.

  16. Maximum power point tracker for photovoltaic power plants

    Science.gov (United States)

    Arcidiacono, V.; Corsi, S.; Lambri, L.

    The paper describes two different closed-loop control criteria for the maximum power point tracking of the voltage-current characteristic of a photovoltaic generator. The two criteria are discussed and compared, inter alia, with regard to the setting-up problems that they pose. Although a detailed analysis is not embarked upon, the paper also provides some quantitative information on the energy advantages obtained by using electronic maximum power point tracking systems, as compared with the situation in which the point of operation of the photovoltaic generator is not controlled at all. Lastly, the paper presents two high-efficiency MPPT converters for experimental photovoltaic plants of the stand-alone and the grid-interconnected type.

  17. Efficient rejection-based simulation of biochemical reactions with stochastic noise and delays

    Energy Technology Data Exchange (ETDEWEB)

    Thanh, Vo Hong, E-mail: vo@cosbi.eu [The Microsoft Research - University of Trento Centre for Computational and Systems Biology, Piazza Manifattura 1, Rovereto 38068 (Italy); Priami, Corrado, E-mail: priami@cosbi.eu [The Microsoft Research - University of Trento Centre for Computational and Systems Biology, Piazza Manifattura 1, Rovereto 38068 (Italy); Department of Mathematics, University of Trento (Italy); Zunino, Roberto, E-mail: roberto.zunino@unitn.it [Department of Mathematics, University of Trento (Italy)

    2014-10-07

    We propose a new exact stochastic rejection-based simulation algorithm for biochemical reactions and extend it to systems with delays. Our algorithm accelerates the simulation by pre-computing reaction propensity bounds to select the next reaction to perform. Exploiting such bounds, we are able to avoid recomputing propensities every time a (delayed) reaction is initiated or finished, as is typically necessary in standard approaches. Propensity updates in our approach are still performed, but only infrequently and limited for a small number of reactions, saving computation time and without sacrificing exactness. We evaluate the performance improvement of our algorithm by experimenting with concrete biological models.

  18. Investigation of the radiative efficiency and threshold in InGaN laser diodes under the influence of efficiency droop

    International Nuclear Information System (INIS)

    Ryu, Han-Youl

    2012-01-01

    Based on the rate equation model of semiconductor lasers, the radiative efficiency and threshold current density of InGaN-based blue laser diodes (LDs) are theoretically investigated, including the effect of efficiency droop in the InGaN quantum wells. The peak point of the radiative efficiency versus current density relation is used as the parameter of the rate equation analysis. The threshold current density of InGaN blue LDs is found to depend strongly on the maximum radiative efficiency at low current density, implying that improving the maximum efficiency is important to maintain a high radiative efficiency at a large current density and to achieve a low-threshold lasing action under the influence of efficiency droop.

  19. Three key points along an intrinsic reaction coordinate

    Indian Academy of Sciences (India)

    Unknown

    Abstract. The concept of the reaction force is presented and discussed in detail. For typical processes with energy barriers, it has a universal form which defines three key points along an intrinsic reaction co- ordinate: the force minimum, zero and maximum. We suggest that the resulting four zones be interpreted as involving ...

  20. INVESTIGATION OF VEHICLE WHEEL ROLLING WITH MAXIMUM EFFICIENCY IN THE BRAKE MODE

    Directory of Open Access Journals (Sweden)

    D. Leontev

    2011-01-01

    Full Text Available Up-to-date vehicles are equipped by various systems of braking effort automatic control theparameters calculation of which do not as a rule have a rational solution. In order to increase theworking efficiency of such systems it is necessary to have the data concerning the impact of variousoperational factors on processes occurring at braking of the object of adjustment (vehicle wheel.Data availability concerning the impact of operational factors allows to decrease geometricalparameters of adjustment devices (modulators and maintain their efficient operation under variousexploitation conditions of vehicle’s motion.

  1. Maximum super angle optimization method for array antenna pattern synthesis

    DEFF Research Database (Denmark)

    Wu, Ji; Roederer, A. G

    1991-01-01

    Different optimization criteria related to antenna pattern synthesis are discussed. Based on the maximum criteria and vector space representation, a simple and efficient optimization method is presented for array and array fed reflector power pattern synthesis. A sector pattern synthesized by a 2...

  2. A measurement of the efficiency for the detection of neutrons in the momentum range 200 to 3200 MeV/c, in large volume liquid scintillation counters

    International Nuclear Information System (INIS)

    Brown, R.M.; Clark, A.G.; Duke, P.J.

    1976-04-01

    A description is given of a system of 194 large volume liquid scintillation counters designed to detect neutrons in an experiment on the reaction π - p → π 0 n in the resonance region. The detection efficiency of the system has been determined, as a function of neutron momentum, in three separate measurements, covering the range 200 to 3200 MeV/c. Below 400 MeV/c the efficiency shows the expected momentum dependence near threshold, rising to a maximum of 50% near 300 MeV/c and then falling to 43% near 400 MeV/c. In the region 400 to 700 MeV/c the efficiency rises to 47% near 600 MeV/c and falls again to 43%, an effect not seen before; the efficiency was expected to be almost momentum independent in this region. Above the threshold for inelastic processes in nucleon-nucleon collision (approximately 800 MeV/c) the efficiency rises significantly reaching a maximum value of 65% above 1700 MeV/c. (author)

  3. Search for the maximum efficiency of a ribbed-surfaces device, providing a tight seal

    International Nuclear Information System (INIS)

    Boutin, Jeanne.

    1977-04-01

    The purpose of this experiment was to determine the geometrical characteristics of ribbed surfaces used to equip devices in translation or slow rotation motion and having to form an acceptable seal between slightly viscous fluids. It systematically studies the pressure loss coefficient lambda in function of the different parameters setting the form of ribs and their relative position on the opposite sides. It shows that the passages with two ribbed surfaces lead to highly better results than those with only one, the maximum value of lambda, equal to 0.5, being obtained with the ratios: pitch/clearance = 5, depth of groove/clearance = 1,2, and with their teeth face to face on the two opposite ribbed surfaces. With certain shapes, alternate position of ribs can lead to the maximum of lambda yet lower than 0.5 [fr

  4. An Improved Protocol for the Aldehyde Olefination Reaction Using (bmim ( as Reaction Medium

    Directory of Open Access Journals (Sweden)

    Vivek Srivastava

    2013-01-01

    Full Text Available [Ru(CODCl2]/CuCl2·2H2O/LiCl catalytic system works efficiently in ionic liquid media for aldehyde olefination reaction. It offers good yield and selectivity with the added advantage of 5 times recyclability for [Ru(CODCl2] /CuCl2·2H2O/LiCl catalytic system. We also successfully reduced the reaction time from 12 hours to 9 hours for the aldehyde olefination reaction.

  5. Maximum Exergetic Efficiency Operation of a Solar Powered H2O-LiBr Absorption Cooling System

    Directory of Open Access Journals (Sweden)

    Camelia Stanciu

    2017-12-01

    Full Text Available A solar driven cooling system consisting of a single effect H2O-LiBr absorbtion cooling module (ACS, a parabolic trough collector (PTC, and a storage tank (ST module is analyzed during one full day operation. The pressurized water is used to transfer heat from PTC to ST and to feed the ACS desorber. The system is constrained to operate at the maximum ACS exergetic efficiency, under a time dependent cooling load computed on 15 July for a one storey house located near Bucharest, Romania. To set up the solar assembly, two commercial PTCs were selected, namely PT1-IST and PTC 1800 Solitem, and a single unit ST was initially considered. The mathematical model, relying on the energy balance equations, was coded under Engineering Equation Solver (EES environment. The solar data were obtained from the Meteonorm database. The numerical simulations proved that the system cannot cover the imposed cooling load all day long, due to the large variation of water temperature inside the ST. By splitting the ST into two units, the results revealed that the PT1-IST collector only drives the ACS between 9 am and 4:30 pm, while the PTC 1800 one covers the entire cooling period (9 am–6 pm for optimum ST capacities of 90 kg/90 kg and 90 kg/140 kg, respectively.

  6. Maximum-performance fiber-optic irradiation with nonimaging designs.

    Science.gov (United States)

    Fang, Y; Feuermann, D; Gordon, J M

    1997-10-01

    A range of practical nonimaging designs for optical fiber applications is presented. Rays emerging from a fiber over a restricted angular range (small numerical aperture) are needed to illuminate a small near-field detector at maximum radiative efficiency. These designs range from pure reflector (all-mirror), to pure dielectric (refractive and based on total internal reflection) to lens-mirror combinations. Sample designs are shown for a specific infrared fiber-optic irradiation problem of practical interest. Optical performance is checked with computer three-dimensional ray tracing. Compared with conventional imaging solutions, nonimaging units offer considerable practical advantages in compactness and ease of alignment as well as noticeably superior radiative efficiency.

  7. On surface reactions of iron tungstate with ethane

    International Nuclear Information System (INIS)

    Obrubov, V.A.; Shchukin, V.P.; Averbukh, A.Ya.

    1980-01-01

    Results of investigation of ethane oxidation reaction upon iron tungstate are presented. It is shown that catalytic oxidation of ethane is accompanied by the surface reaction of the catalyst reduction. Maximum reduction of surface depends upon temperature and considerably affects the direction of ethane oxidation process. Activation energies of ethane oxidation reactions and surface reaction of iron tungstate reduction depend on the surface actual state and at its reduction up to 5% from monolayer change in the limits 36.0-46.0 and 53.0-66.0 kcal/mol respectively

  8. Editors' Choice Growth of Layered WS2Electrocatalysts for Highly Efficient Hydrogen Production Reaction

    KAUST Repository

    Alsabban, Merfat M.; Min, Shixiong; Hedhili, Mohamed N.; Ming, Jun; Li, Lain-Jong; Huang, Kuo-Wei

    2016-01-01

    Seeking more economical alternative electrocatalysts without sacrificing much in performance to replace precious metal Pt is one of the major research topics in hydrogen evolution reactions (HER). Tungsten disulfide (WS2) has been recognized as a promising substitute for Pt owing to its high efficiency and low-cost. Since most existing works adopt solution-synthesized WS2 crystallites for HER, direct growth of WS2 layered materials on conducting substrates should offer new opportunities. The growth of WS2 by the thermolysis of ammonium tetrathiotungstate (NH4)(2)WS4 was examined under various gaseous environments. Structural analysis and electrochemical studies show that the H2S environment leads to the WS2 catalysts with superior HER performance with an extremely low overpotential (eta(10) = 184 mV). (C) The Author(s) 2016. Published by ECS. All rights reserved.

  9. Editors' Choice Growth of Layered WS2Electrocatalysts for Highly Efficient Hydrogen Production Reaction

    KAUST Repository

    Alsabban, Merfat M.

    2016-08-18

    Seeking more economical alternative electrocatalysts without sacrificing much in performance to replace precious metal Pt is one of the major research topics in hydrogen evolution reactions (HER). Tungsten disulfide (WS2) has been recognized as a promising substitute for Pt owing to its high efficiency and low-cost. Since most existing works adopt solution-synthesized WS2 crystallites for HER, direct growth of WS2 layered materials on conducting substrates should offer new opportunities. The growth of WS2 by the thermolysis of ammonium tetrathiotungstate (NH4)(2)WS4 was examined under various gaseous environments. Structural analysis and electrochemical studies show that the H2S environment leads to the WS2 catalysts with superior HER performance with an extremely low overpotential (eta(10) = 184 mV). (C) The Author(s) 2016. Published by ECS. All rights reserved.

  10. Organic chemistry - Fast reactions 'on water'

    NARCIS (Netherlands)

    Klijn, JE; Engberts, JBFN

    2005-01-01

    Efficient reactions in aqueous organic chemistry do not require soluble reactants, as had been thought. A newly developed ‘on-water’ protocol is characterized by short reaction times, and the products are easy to isolate.

  11. Multicomponent reactions: A simple and efficient route to heterocyclic phosphonates

    Science.gov (United States)

    2016-01-01

    Summary Multicomponent reactions (MCRs) are one of the most important processes for the preparation of highly functionalized organic compounds in modern synthetic chemistry. As shown in this review, they play an important role in organophosphorus chemistry where phosphorus reagents are used as substrates for the synthesis of a wide range of phosphorylated heterocycles. In this article, an overview about multicomponent reactions used for the synthesis of heterocyclic compounds bearing a phosphonate group on the ring is given. PMID:27559377

  12. Maximum Stress Estimation Model for Multi-Span Waler Beams with Deflections at the Supports Using Average Strains

    Directory of Open Access Journals (Sweden)

    Sung Woo Park

    2015-03-01

    Full Text Available The safety of a multi-span waler beam subjected simultaneously to a distributed load and deflections at its supports can be secured by limiting the maximum stress of the beam to a specific value to prevent the beam from reaching a limit state for failure or collapse. Despite the fact that the vast majority of accidents on construction sites occur at waler beams in retaining wall systems, no safety monitoring model that can consider deflections at the supports of the beam is available. In this paper, a maximum stress estimation model for a waler beam based on average strains measured from vibrating wire strain gauges (VWSGs, the most frequently used sensors in construction field, is presented. The model is derived by defining the relationship between the maximum stress and the average strains measured from VWSGs. In addition to the maximum stress, support reactions, deflections at supports, and the magnitudes of distributed loads for the beam structure can be identified by the estimation model using the average strains. Using simulation tests on two multi-span beams, the performance of the model is evaluated by estimating maximum stress, deflections at supports, support reactions, and the magnitudes of distributed loads.

  13. Adiabatic flame temperature of sodium combustion and sodium-water reaction

    International Nuclear Information System (INIS)

    Okano, Y.; Yamaguchi, A.

    2001-01-01

    In this paper, background information of sodium fire and sodium-water reaction accidents of LMFBR (liquid metal fast breeder reactor) is mentioned at first. Next, numerical analysis method of GENESYS is described in detail. Next, adiabatic flame temperature and composition of sodium combustion are analyzed, and affect of reactant composition, such oxygen and moisture, is discussed. Finally, adiabatic reaction zone temperature and composition of sodium-water reaction are calculated, and affects of reactant composition, sodium vaporization, and pressure are stated. Chemical equilibrium calculation program for generic chemical system (GENESYS) is developed in this study for the research on adiabatic flame temperature of sodium combustion and adiabatic reaction zone temperature of sodium-water reaction. The maximum flame temperature of the sodium combustion is 1,950 K at the standard atmospheric condition, and is not affected by the existence of moisture. The main reaction product is Na 2 O (l) , and in combustion in moist air, with NaOH (g) . The maximum reaction zone temperature of the sodium-water reaction is 1,600 K, and increases with the system pressure. The main products are NaOH (g) , NaOH (l) and H2 (g) . Sodium evaporation should be considered in the cases of sodium-rich and high pressure above 10 bar

  14. Theoretical assessment of the maximum power point tracking efficiency of photovoltaic facilities with different converter topologies

    Energy Technology Data Exchange (ETDEWEB)

    Enrique, J.M.; Duran, E.; Andujar, J.M. [Departamento de Ingenieria Electronica, de Sistemas Informaticos y Automatica, Universidad de Huelva (Spain); Sidrach-de-Cardona, M. [Departamento de Fisica Aplicada, II, Universidad de Malaga (Spain)

    2007-01-15

    The operating point of a photovoltaic generator that is connected to a load is determined by the intersection point of its characteristic curves. In general, this point is not the same as the generator's maximum power point. This difference means losses in the system performance. DC/DC converters together with maximum power point tracking systems (MPPT) are used to avoid these losses. Different algorithms have been proposed for maximum power point tracking. Nevertheless, the choice of the configuration of the right converter has not been studied so widely, although this choice, as demonstrated in this work, has an important influence in the optimum performance of the photovoltaic system. In this article, we conduct a study of the three basic topologies of DC/DC converters with resistive load connected to photovoltaic modules. This article demonstrates that there is a limitation in the system's performance according to the type of converter used. Two fundamental conclusions are derived from this study: (1) the buck-boost DC/DC converter topology is the only one which allows the follow-up of the PV module maximum power point regardless of temperature, irradiance and connected load and (2) the connection of a buck-boost DC/DC converter in a photovoltaic facility to the panel output could be a good practice to improve performance. (author)

  15. Current control of PMSM based on maximum torque control reference frame

    Science.gov (United States)

    Ohnuma, Takumi

    2017-07-01

    This study presents a new method of current controls of PMSMs (Permanent Magnet Synchronous Motors) based on a maximum torque control reference frame, which is suitable for high-performance controls of the PMSMs. As the issues of environment and energy increase seriously, PMSMs, one of the AC motors, are becoming popular because of their high-efficiency and high-torque density in various applications, such as electric vehicles, trains, industrial machines, and home appliances. To use the PMSMs efficiently, a proper current control of the PMSMs is necessary. In general, a rotational coordinate system synchronizing with the rotor is used for the current control of PMSMs. In the rotating reference frame, the current control is easier because the currents on the rotating reference frame can be expressed as a direct current in the controller. On the other hand, the torque characteristics of PMSMs are non-linear and complex; the PMSMs are efficient and high-density though. Therefore, a complicated control system is required to involve the relation between the torque and the current, even though the rotating reference frame is adopted. The maximum torque control reference frame provides a simpler way to control efficiently the currents taking the torque characteristics of the PMSMs into consideration.

  16. Highly efficient method for 125I-radiolabeling of biomolecules using inverse-electron-demand Diels-Alder reaction.

    Science.gov (United States)

    Choi, Mi Hee; Shim, Ha Eun; Yun, Seong-Jae; Kim, Hye Rim; Mushtaq, Sajid; Lee, Chang Heon; Park, Sang Hyun; Choi, Dae Seong; Lee, Dong-Eun; Byun, Eui-Baek; Jang, Beom-Su; Jeon, Jongho

    2016-04-19

    In this report, we present a rapid and highly efficient method for radioactive iodine labeling of trans-cyclooctene group conjugated biomolecules using inverse-electron-demand Diels-Alder reaction. Radioiodination reaction of the tetrazine structure was carried out using the stannylated precursor 2 to give 125 I-labeled azide ([ 125 I]1) with high radiochemical yield (65±8%) and radiochemical purity (>99%). For radiolabeling application of [ 125 I]1, trans-cyclooctene derived cRGD peptide and human serum albumin were prepared. These substrated were reacted with [ 125 I]1 under mild condition to provide the radiolabeled products [ 125 I]6 and [ 125 I]8, respectively, with excellent radiochemical yields. The biodistribution study of [ 125 I]8 in normal ICR mice showed significantly lower thyroid uptake values than that of 125 I-labeled human serum albumin prepared by a traditional radiolabeling method. Therefore [ 125 I]8 will be a useful radiolabeled tracer in various molecular imaging and biological studies. Those results clearly demonstrate that [ 125 I]1 will be used as a valuable prosthetic group for radiolabeling of biomolecules. Copyright © 2016 Elsevier Ltd. All rights reserved.

  17. Enzymatic Synthesis and Structural Characterization of Theanderose through Transfructosylation Reaction Catalyzed by Levansucrase from Bacillus subtilis CECT 39.

    Science.gov (United States)

    Ruiz-Aceituno, Laura; Sanz, Maria Luz; de Las Rivas, Blanca; Muñoz, Rosario; Kolida, Sofia; Jimeno, Maria Luisa; Moreno, F Javier

    2017-12-06

    This work addresses the high-yield and fast enzymatic production of theanderose, a naturally occurring carbohydrate, also known as isomaltosucrose, whose chemical structure determined by NMR is α-d-glucopyranosyl-(1 → 6)-α-d-glucopyranosyl-(1 → 2)-β-d-fructofuranose. The ability of isomaltose to act as an acceptor in the Bacillus subtilis CECT 39 levansucrase-catalyzed transfructosylation reaction to efficiently produce theanderose in the presence of sucrose as a donor is described by using four different sucrose:isomaltose concentration ratios. The maximum theanderose concentration ranged from 122.4 to 130.4 g L -1 , was obtained after only 1 h and at a moderate temperature (37 °C), leading to high productivity (109.7-130.4 g L -1 h -1 ) and yield (up to 37.3%) values. The enzymatic synthesis was highly regiospecific, since no other detectable acceptor reaction products were formed. The development of efficient and cost-effective procedures for the biosynthesis of unexplored but appealing oligosaccharides as potential sweeteners, such as theanderose, could help to expand its potential applications which are currently limited by their low availability.

  18. Hantzsch reaction and quinoxaline synthesis using 1-methyl-3-(2-(sulfooxyethyl-1H-imidazol-3-ium chloride as a new, efficient and BrØnsted acidic ionic liquid catalyst

    Directory of Open Access Journals (Sweden)

    Sami Sajjadifar

    2013-10-01

    Full Text Available In this work, the efficiency, generality and applicability of new BrØnsted acidic ionic liquid (BAIL 1-methyl-3-(2-(sulfooxyethyl-1H-imidazol-3-ium chloride {[Msei]Cl} as heterogeneous and green catalyst for organic transformations are studied. Herein, the following one-pot multi-component reactions in the presence of [Msei]Cl are investigated: (i the synthesis of quinoxaline derivatives from the reaction of phenylenediamines and 1,2-diketones in EtOH under mild conditions (room temperature, (ii the preparation of 1,4-dihydropyridines from one-pot multi component condensation of 1,3-dicarbonyl compounds, NH4OAcand aldehydes under solvent-free conditions at moderate temperature (90 °C. High yields, relatively short reaction times, efficiency, generality, clean process, simple methodology, low cost, easy work-up, ease of preparation and regeneration of the catalyst and green conditions (in the synthesis of the quinoxaline derivatives are advantages of the application of [Mesi]Cl as catalyst in the above organic reactions.

  19. A maximum power point tracking algorithm for buoy-rope-drum wave energy converters

    Science.gov (United States)

    Wang, J. Q.; Zhang, X. C.; Zhou, Y.; Cui, Z. C.; Zhu, L. S.

    2016-08-01

    The maximum power point tracking control is the key link to improve the energy conversion efficiency of wave energy converters (WEC). This paper presents a novel variable step size Perturb and Observe maximum power point tracking algorithm with a power classification standard for control of a buoy-rope-drum WEC. The algorithm and simulation model of the buoy-rope-drum WEC are presented in details, as well as simulation experiment results. The results show that the algorithm tracks the maximum power point of the WEC fast and accurately.

  20. Assessment of maximum available work of a hydrogen fueled compression ignition engine using exergy analysis

    International Nuclear Information System (INIS)

    Chintala, Venkateswarlu; Subramanian, K.A.

    2014-01-01

    This work is aimed at study of maximum available work and irreversibility (mixing, combustion, unburned, and friction) of a dual-fuel diesel engine (H 2 (hydrogen)–diesel) using exergy analysis. The maximum available work increased with H 2 addition due to reduction in irreversibility of combustion because of less entropy generation. The irreversibility of unburned fuel with the H 2 fuel also decreased due to the engine combustion with high temperature whereas there is no effect of H 2 on mixing and friction irreversibility. The maximum available work of the diesel engine at rated load increased from 29% with conventional base mode (without H 2 ) to 31.7% with dual-fuel mode (18% H 2 energy share) whereas total irreversibility of the engine decreased drastically from 41.2% to 39.3%. The energy efficiency of the engine with H 2 increased about 10% with 36% reduction in CO 2 emission. The developed methodology could also be applicable to find the effect and scope of different technologies including exhaust gas recirculation and turbo charging on maximum available work and energy efficiency of diesel engines. - Highlights: • Energy efficiency of diesel engine increases with hydrogen under dual-fuel mode. • Maximum available work of the engine increases significantly with hydrogen. • Combustion and unburned fuel irreversibility decrease with hydrogen. • No significant effect of hydrogen on mixing and friction irreversibility. • Reduction in CO 2 emission along with HC, CO and smoke emissions

  1. Maximum power operation of interacting molecular motors

    DEFF Research Database (Denmark)

    Golubeva, Natalia; Imparato, Alberto

    2013-01-01

    , as compared to the non-interacting system, in a wide range of biologically compatible scenarios. We furthermore consider the case where the motor-motor interaction directly affects the internal chemical cycle and investigate the effect on the system dynamics and thermodynamics.......We study the mechanical and thermodynamic properties of different traffic models for kinesin which are relevant in biological and experimental contexts. We find that motor-motor interactions play a fundamental role by enhancing the thermodynamic efficiency at maximum power of the motors...

  2. Nucleus Z=126 with magic neutron number N=184 may be related to the measured Maruhn–Greiner maximum at A/2=155 from compound nuclei at low energy nuclear reactions

    Energy Technology Data Exchange (ETDEWEB)

    Prelas, M.A. [University of Missouri, Columbia, MO (United States); Hora, H. [University of New South Wales, Sydney (Australia); Miley, G.H. [University of Illinois, Urbana-Champaign (United States)

    2014-07-04

    Evaluation of nuclear binding energies from theory close to available measurements of a very high number of superheavy elements (SHE) based on α-decay energies Q{sub α}, arrived at a closing shell with a significant neutron number 184. Within the option of several discussed magic numbers for protons of around 120, Bagge's numbers 126 and 184 fit well and are supported by the element generation measurements by low energy nuclear reactions (LENR) discovered in deuterium loaded host metals. These measurements were showing a Maruhn–Greiner maximum from fission of compound nuclei in an excited state with double magic numbers for mutual confirmation. - Highlights: • Use of Bagge procedure confirmed that Z=126 and N=184 are proper magic numbers. • Elements are generated by low energy nuclear reactions in deuterium loaded metal. • Postulated from measured distribution that a compound nucleus {sup 310}X{sub 126} was formed. • Formation of 164 deuterons in Bose–Einstein state clusters with 2 pm spacing.

  3. Nucleus Z=126 with magic neutron number N=184 may be related to the measured Maruhn–Greiner maximum at A/2=155 from compound nuclei at low energy nuclear reactions

    International Nuclear Information System (INIS)

    Prelas, M.A.; Hora, H.; Miley, G.H.

    2014-01-01

    Evaluation of nuclear binding energies from theory close to available measurements of a very high number of superheavy elements (SHE) based on α-decay energies Q α , arrived at a closing shell with a significant neutron number 184. Within the option of several discussed magic numbers for protons of around 120, Bagge's numbers 126 and 184 fit well and are supported by the element generation measurements by low energy nuclear reactions (LENR) discovered in deuterium loaded host metals. These measurements were showing a Maruhn–Greiner maximum from fission of compound nuclei in an excited state with double magic numbers for mutual confirmation. - Highlights: • Use of Bagge procedure confirmed that Z=126 and N=184 are proper magic numbers. • Elements are generated by low energy nuclear reactions in deuterium loaded metal. • Postulated from measured distribution that a compound nucleus 310 X 126 was formed. • Formation of 164 deuterons in Bose–Einstein state clusters with 2 pm spacing

  4. Efficient algorithms for maximum likelihood decoding in the surface code

    Science.gov (United States)

    Bravyi, Sergey; Suchara, Martin; Vargo, Alexander

    2014-09-01

    We describe two implementations of the optimal error correction algorithm known as the maximum likelihood decoder (MLD) for the two-dimensional surface code with a noiseless syndrome extraction. First, we show how to implement MLD exactly in time O (n2), where n is the number of code qubits. Our implementation uses a reduction from MLD to simulation of matchgate quantum circuits. This reduction however requires a special noise model with independent bit-flip and phase-flip errors. Secondly, we show how to implement MLD approximately for more general noise models using matrix product states (MPS). Our implementation has running time O (nχ3), where χ is a parameter that controls the approximation precision. The key step of our algorithm, borrowed from the density matrix renormalization-group method, is a subroutine for contracting a tensor network on the two-dimensional grid. The subroutine uses MPS with a bond dimension χ to approximate the sequence of tensors arising in the course of contraction. We benchmark the MPS-based decoder against the standard minimum weight matching decoder observing a significant reduction of the logical error probability for χ ≥4.

  5. Nuclear Waste Vitrification Efficiency: Cold Cap Reactions

    International Nuclear Information System (INIS)

    Kruger, A.A.; Hrma, P.R.; Pokorny, R.

    2011-01-01

    The cost and schedule of nuclear waste treatment and immobilization are greatly affected by the rate of glass production. Various factors influence the performance of a waste-glass melter. One of the most significant, and also one of the least understood, is the process of batch melting. Studies are being conducted to gain fundamental understanding of the batch reactions, particularly those that influence the rate of melting, and models are being developed to link batch makeup and melter operation to the melting rate. Batch melting takes place within the cold cap, i.e., a batch layer floating on the surface of molten glass. The conversion of batch to glass consists of various chemical reactions, phase transitions, and diffusion-controlled processes. These include water evaporation (slurry feed contains as high as 60% water), gas evolution, the melting of salts, the formation of borate melt, reactions of borate melt with molten salts and with amorphous oxides (Fe 2 O 3 and Al 2 O 3 ), the formation of intermediate crystalline phases, the formation of a continuous glass-forming melt, the growth and collapse of primary foam, and the dissolution of residual solids. To this list we also need to add the formation of secondary foam that originates from molten glass but accumulates on the bottom of the cold cap. This study presents relevant data obtained for a high-level-waste melter feed and introduces a one-dimensional (1D) mathematical model of the cold cap as a step toward an advanced three-dimensional (3D) version for a complete model of the waste glass melter. The 1D model describes the batch-to-glass conversion within the cold cap as it progresses in a vertical direction. With constitutive equations and key parameters based on measured data, and simplified boundary conditions on the cold-cap interfaces with the glass melt and the plenum space of the melter, the model provides sensitivity analysis of the response of the cold cap to the batch makeup and melter

  6. Rapid calculation of maximum particle lifetime for diffusion in complex geometries

    Science.gov (United States)

    Carr, Elliot J.; Simpson, Matthew J.

    2018-03-01

    Diffusion of molecules within biological cells and tissues is strongly influenced by crowding. A key quantity to characterize diffusion is the particle lifetime, which is the time taken for a diffusing particle to exit by hitting an absorbing boundary. Calculating the particle lifetime provides valuable information, for example, by allowing us to compare the timescale of diffusion and the timescale of the reaction, thereby helping us to develop appropriate mathematical models. Previous methods to quantify particle lifetimes focus on the mean particle lifetime. Here, we take a different approach and present a simple method for calculating the maximum particle lifetime. This is the time after which only a small specified proportion of particles in an ensemble remain in the system. Our approach produces accurate estimates of the maximum particle lifetime, whereas the mean particle lifetime always underestimates this value compared with data from stochastic simulations. Furthermore, we find that differences between the mean and maximum particle lifetimes become increasingly important when considering diffusion hindered by obstacles.

  7. Energy conservation and maximal entropy production in enzyme reactions.

    Science.gov (United States)

    Dobovišek, Andrej; Vitas, Marko; Brumen, Milan; Fajmut, Aleš

    2017-08-01

    A procedure for maximization of the density of entropy production in a single stationary two-step enzyme reaction is developed. Under the constraints of mass conservation, fixed equilibrium constant of a reaction and fixed products of forward and backward enzyme rate constants the existence of maximum in the density of entropy production is demonstrated. In the state with maximal density of entropy production the optimal enzyme rate constants, the stationary concentrations of the substrate and the product, the stationary product yield as well as the stationary reaction flux are calculated. The test, whether these calculated values of the reaction parameters are consistent with their corresponding measured values, is performed for the enzyme Glucose Isomerase. It is found that calculated and measured rate constants agree within an order of magnitude, whereas the calculated reaction flux and the product yield differ from their corresponding measured values for less than 20 % and 5 %, respectively. This indicates that the enzyme Glucose Isomerase, considered in a non-equilibrium stationary state, as found in experiments using the continuous stirred tank reactors, possibly operates close to the state with the maximum in the density of entropy production. Copyright © 2017 Elsevier B.V. All rights reserved.

  8. Reaction time and efficiency of the goalball player in interception/defense of throwing/attack

    Directory of Open Access Journals (Sweden)

    J.I. Gorla

    2010-01-01

    Full Text Available Goalball is a team sport designed for the blind and the visually impaired. This research aimed at analyzing the motor behavior of goalball players in order to evaluate the influence of reaction time (TR in the efficiency of defense actions. Nine athletes from the national team of goalball, who played in the 3rd World Games of IBSA (São Caetano do Sul/SP, August 2007, participated in this study. Data were collected through cinemetry in order to obtain images of motor movements during defense actions and then analyzed and developed using the biomechanics model of motor control of human movements, and treated using a software specific for analyzing movement, the DgeeMe Version 1.0b. Participants' TR met the standard mentioned in the literature. Repetition of movements and promptness to act influenced the quality of their responses and facilitated a decrease in TR.

  9. Reaction time and efficiency of the goalball player in interception/ defense of throwing/attack

    Directory of Open Access Journals (Sweden)

    Gilberto Pereira da Silva

    2010-12-01

    Full Text Available Goalball is a team sport designed for the blind and the visually impaired. This research aimed at analyzing the motor behavior of goalball players in order to evaluate the influence of reaction time (TR in the efficiency of defense actions. Nine athletes from the national team of goalball, who played in the 3rd World Games of IBSA (São Caetano do Sul/SP, August 2007, participated in this study. Data were collected through cinemetry in order to obtain images of motor movements during defense actions and then analyzed and developed using the biomechanics model of motor control of human movements, and treated using a software specific for analyzing movement, the DgeeMe Version 1.0b. Participants' TR met the standard mentioned in the literature. Repetition of movements and promptness to act influenced the quality of their responses and facilitated a decrease in TR.

  10. A study on adverse drug reactions in a tertiary care hospital of ...

    African Journals Online (AJOL)

    Acne (46) was commonly reported reaction. Topical steroids, betamethasone sodium phosphate and clobetasol were reported to induce maximum number of reactions (59). Skin (227, 66.9%) was commonly affected organ system. Most of the adverse drug reactions were possible (240, 94.1%) and mild (222, 87%) in nature.

  11. Potential of metal nanoparticles in organic reactions

    International Nuclear Information System (INIS)

    Ranu, B C; Chattopadhyay, K; Saha, A; Adak, L; Jana, R; Bhadra, S; Dey, R; Saha, D

    2008-01-01

    Palladium(0) nanoparticle has been used as efficient catalyst for (a) the stereoselective synthesis of (E)- and (Z)-2-alkene-4-ynoates and -nitriles by a simple reaction of vic-diiodo-(E)-alkenes with acrylic esters and nitriles and (b) for the allylation of active methylene compounds by allylacetate and its derivatives. Copper(0) nanoparticle catalyzes aryl-sulfur bond formation very efficiently. All these reactions are ligand-free

  12. Scintillation counter, maximum gamma aspect

    International Nuclear Information System (INIS)

    Thumim, A.D.

    1975-01-01

    A scintillation counter, particularly for counting gamma ray photons, includes a massive lead radiation shield surrounding a sample-receiving zone. The shield is disassembleable into a plurality of segments to allow facile installation and removal of a photomultiplier tube assembly, the segments being so constructed as to prevent straight-line access of external radiation through the shield into radiation-responsive areas. Provisions are made for accurately aligning the photomultiplier tube with respect to one or more sample-transmitting bores extending through the shield to the sample receiving zone. A sample elevator, used in transporting samples into the zone, is designed to provide a maximum gamma-receiving aspect to maximize the gamma detecting efficiency. (U.S.)

  13. Calculation of reaction energies and adiabatic temperatures for waste tank reactions

    International Nuclear Information System (INIS)

    Burger, L.L.

    1995-10-01

    Continual concern has been expressed over potentially hazardous exothermic reactions that might occur in Hanford Site underground waste storage tanks. These tanks contain many different oxidizable compounds covering a wide range of concentrations. The chemical hazards are a function of several interrelated factors, including the amount of energy (heat) produced, how fast it is produced, and the thermal absorption and heat transfer properties of the system. The reaction path(s) will determine the amount of energy produced and kinetics will determine the rate that it is produced. The tanks also contain many inorganic compounds inert to oxidation. These compounds act as diluents and can inhibit exothermic reactions because of their heat capacity and thus, in contrast to the oxidizable compounds, provide mitigation of hazardous reactions. In this report the energy that may be released when various organic and inorganic compounds react is computed as a function of the reaction-mix composition and the temperature. The enthalpy, or integrated heat capacity, of these compounds and various reaction products is presented as a function of temperature; the enthalpy of a given mixture can then be equated to the energy release from various reactions to predict the maximum temperature which may be reached. This is estimated for several different compositions. Alternatively, the amounts of various diluents required to prevent the temperature from reaching a critical value can be estimated. Reactions taking different paths, forming different products such as N 2 O in place of N 2 are also considered, as are reactions where an excess of caustic is present. Oxidants other than nitrate and nitrite are considered briefly

  14. Calculation of reaction energies and adiabatic temperatures for waste tank reactions

    Energy Technology Data Exchange (ETDEWEB)

    Burger, L.L.

    1995-10-01

    Continual concern has been expressed over potentially hazardous exothermic reactions that might occur in Hanford Site underground waste storage tanks. These tanks contain many different oxidizable compounds covering a wide range of concentrations. The chemical hazards are a function of several interrelated factors, including the amount of energy (heat) produced, how fast it is produced, and the thermal absorption and heat transfer properties of the system. The reaction path(s) will determine the amount of energy produced and kinetics will determine the rate that it is produced. The tanks also contain many inorganic compounds inert to oxidation. These compounds act as diluents and can inhibit exothermic reactions because of their heat capacity and thus, in contrast to the oxidizable compounds, provide mitigation of hazardous reactions. In this report the energy that may be released when various organic and inorganic compounds react is computed as a function of the reaction-mix composition and the temperature. The enthalpy, or integrated heat capacity, of these compounds and various reaction products is presented as a function of temperature; the enthalpy of a given mixture can then be equated to the energy release from various reactions to predict the maximum temperature which may be reached. This is estimated for several different compositions. Alternatively, the amounts of various diluents required to prevent the temperature from reaching a critical value can be estimated. Reactions taking different paths, forming different products such as N{sub 2}O in place of N{sub 2} are also considered, as are reactions where an excess of caustic is present. Oxidants other than nitrate and nitrite are considered briefly.

  15. Reaction wheels for kinetic energy storage

    Science.gov (United States)

    Studer, P. A.

    1984-11-01

    In contrast to all existing reaction wheel implementations, an order of magnitude increase in speed can be obtained efficiently if power to the actuators can be recovered. This allows a combined attitude control-energy storage system to be developed with structure mounted reaction wheels. The feasibility of combining reaction wheels with energy storage wwheels is demonstrated. The power required for control torques is a function of wheel speed but this energy is not dissipated; it is stored in the wheel. The I(2)R loss resulting from a given torque is shown to be constant, independent of the design speed of the motor. What remains, in order to efficiently use high speed wheels (essential for energy storage) for control purposes, is to reduce rotational losses to acceptable levels. Progress was made in permanent magnet motor design for high speed operation. Variable field motors offer more control flexibility and efficiency over a broader speed range.

  16. Diels-Alder reactions: The effects of catalyst on the addition reaction

    Science.gov (United States)

    Yilmaz, Özgür; Kus, Nermin Simsek; Tunç, Tuncay; Sahin, Ertan

    2015-10-01

    The reaction between 2,3-dimethyl-1,3-butadiene and dimethyl 7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate is efficiently achieved with small amounts of catalyst, i.e. phenol, AcOH, nafion, and β-cyclodextrin. Exo-diastereoselective cycloaddition reactions were observed both without catalyst and different catalysts for 48 days. As a result, different products (tricyclicmolecule 5, retro-Diels-Alder product 6, and oxidation product 7) were obtained with different catalysts. In addition, we synthesized Diels-Alders product 8 and tricyclocyclitol 10 via Diels-Alder reaction. The structures of these products were characterized by 1H NMR, 13C NMR, MS and IR spectroscopy.

  17. Maximum power point tracker based on fuzzy logic

    International Nuclear Information System (INIS)

    Daoud, A.; Midoun, A.

    2006-01-01

    The solar energy is used as power source in photovoltaic power systems and the need for an intelligent power management system is important to obtain the maximum power from the limited solar panels. With the changing of the sun illumination due to variation of angle of incidence of sun radiation and of the temperature of the panels, Maximum Power Point Tracker (MPPT) enables optimization of solar power generation. The MPPT is a sub-system designed to extract the maximum power from a power source. In the case of solar panels power source. the maximum power point varies as a result of changes in its electrical characteristics which in turn are functions of radiation dose, temperature, ageing and other effects. The MPPT maximum the power output from panels for a given set of conditions by detecting the best working point of the power characteristic and then controls the current through the panels or the voltage across them. Many MPPT methods have been reported in literature. These techniques of MPPT can be classified into three main categories that include: lookup table methods, hill climbing methods and computational methods. The techniques vary according to the degree of sophistication, processing time and memory requirements. The perturbation and observation algorithm (hill climbing technique) is commonly used due to its ease of implementation, and relative tracking efficiency. However, it has been shown that when the insolation changes rapidly, the perturbation and observation method is slow to track the maximum power point. In recent years, the fuzzy controllers are used for maximum power point tracking. This method only requires the linguistic control rules for maximum power point, the mathematical model is not required and therefore the implementation of this control method is easy to real control system. In this paper, we we present a simple robust MPPT using fuzzy set theory where the hardware consists of the microchip's microcontroller unit control card and

  18. Limits to solar power conversion efficiency with applications to quantum and thermal systems

    Science.gov (United States)

    Byvik, C. E.; Buoncristiani, A. M.; Smith, B. T.

    1983-01-01

    An analytical framework is presented that permits examination of the limit to the efficiency of various solar power conversion devices. Thermodynamic limits to solar power efficiency are determined for both quantum and thermal systems, and the results are applied to a variety of devices currently considered for use in space systems. The power conversion efficiency for single-threshold energy quantum systems receiving unconcentrated air mass zero solar radiation is limited to 31 percent. This limit applies to photovoltaic cells directly converting solar radiation, or indirectly, as in the case of a thermophotovoltaic system. Photoelectrochemical cells rely on an additional chemical reaction at the semiconductor-electrolyte interface, which introduces additional second-law demands and a reduction of the solar conversion efficiency. Photochemical systems exhibit even lower possible efficiencies because of their relatively narrow absorption bands. Solar-powered thermal engines in contact with an ambient reservoir at 300 K and operating at maximum power have a peak conversion efficiency of 64 percent, and this occurs for a thermal reservoir at a temperature of 2900 K. The power conversion efficiency of a solar-powered liquid metal magnetohydrodydnamic generator, a solar-powered steam turbine electric generator, and an alkali metal thermoelectric converter is discussed.

  19. Table of nuclear reactions and subsequent radioactive dacays induced by 14-MeV neutrons

    International Nuclear Information System (INIS)

    Tsukada, Kineo

    1977-09-01

    Compilation of the data on nuclear reactions and subsequent radioactive decays induced by 14-MeV neutrons is presented in tabular form for most of the isotopes available in nature and for some of the artificially-produced isotopes, including the following items: Nuclide (isotopic abundance), type of nuclear reaction, reaction Q-value, reaction product, type of decay, decay Q-value, half-life of reaction product, decay product, maximum reaction cross section, neutron energy for maximum cross section, reaction cross section for 14 MeV neutrons, saturated radioactivity induced by irradiation of a neutron flux of 1 n/cm 2 sec for a mol of atoms, and reference for the cross section. The mass number dependence of (n, γ), (n, 2n), (n, p), (n, d), (n, t), (n, 3 He) and (n, α) reaction cross sections for 14-MeV neutrons is given in figures to show general trends of the cross sections

  20. Experimental Determination of Operating and Maximum Power Transfer Efficiencies at Resonant Frequency in a Wireless Power Transfer System using PP Network Topology with Top Coupling

    Science.gov (United States)

    Ramachandran, Hema; Pillai, K. P. P.; Bindu, G. R.

    2017-08-01

    A two-port network model for a wireless power transfer system taking into account the distributed capacitances using PP network topology with top coupling is developed in this work. The operating and maximum power transfer efficiencies are determined analytically in terms of S-parameters. The system performance predicted by the model is verified with an experiment consisting of a high power home light load of 230 V, 100 W and is tested for two forced resonant frequencies namely, 600 kHz and 1.2 MHz. The experimental results are in close agreement with the proposed model.

  1. Estimation of Maximum Allowable PV Connection to LV Residential Power Networks

    DEFF Research Database (Denmark)

    Demirok, Erhan; Sera, Dezso; Teodorescu, Remus

    2011-01-01

    Maximum photovoltaic (PV) hosting capacity of low voltage (LV) power networks is mainly restricted by either thermal limits of network components or grid voltage quality resulted from high penetration of distributed PV systems. This maximum hosting capacity may be lower than the available solar...... potential of geographic area due to power network limitations even though all rooftops are fully occupied with PV modules. Therefore, it becomes more of an issue to know what exactly limits higher PV penetration level and which solutions should be engaged efficiently such as over sizing distribution...

  2. Nucleus Z=126 with magic neutron number N=184 may be related to the measured Maruhn-Greiner maximum at A/2=155 from compound nuclei at low energy nuclear reactions

    Science.gov (United States)

    Prelas, M. A.; Hora, H.; Miley, G. H.

    2014-07-01

    Evaluation of nuclear binding energies from theory close to available measurements of a very high number of superheavy elements (SHE) based on α-decay energies Qα, arrived at a closing shell with a significant neutron number 184. Within the option of several discussed magic numbers for protons of around 120, Bagge's numbers 126 and 184 fit well and are supported by the element generation measurements by low energy nuclear reactions (LENR) discovered in deuterium loaded host metals. These measurements were showing a Maruhn-Greiner maximum from fission of compound nuclei in an excited state with double magic numbers for mutual confirmation.

  3. The Emotional Climate of the Interpersonal Classroom in a Maximum Security Prison for Males.

    Science.gov (United States)

    Meussling, Vonne

    1984-01-01

    Examines the nature, the task, and the impact of teaching in a maximum security prison for males. Data are presented concerning the curriculum design used in order to create a nonevaluative atmosphere. Inmates' reactions to self-disclosure and open communication in a prison setting are evaluated. (CT)

  4. Maximum Power Point Tracking Control of Photovoltaic Systems: A Polynomial Fuzzy Model-Based Approach

    DEFF Research Database (Denmark)

    Rakhshan, Mohsen; Vafamand, Navid; Khooban, Mohammad Hassan

    2018-01-01

    This paper introduces a polynomial fuzzy model (PFM)-based maximum power point tracking (MPPT) control approach to increase the performance and efficiency of the solar photovoltaic (PV) electricity generation. The proposed method relies on a polynomial fuzzy modeling, a polynomial parallel......, a direct maximum power (DMP)-based control structure is considered for MPPT. Using the PFM representation, the DMP-based control structure is formulated in terms of SOS conditions. Unlike the conventional approaches, the proposed approach does not require exploring the maximum power operational point...

  5. A conrparison of optirnunl and maximum reproduction using the rat ...

    African Journals Online (AJOL)

    of pigs to increase reproduction rate of sows (te Brake,. 1978; Walker et at., 1979; Kemm et at., 1980). However, no experimental evidence exists that this strategy would in fact improve biological efficiency. In this pilot experiment, an attempt was made to compare systems of optimum or maximum reproduction using the rat.

  6. Process configuration of Liquid-nitrogen Energy Storage System (LESS) for maximum turnaround efficiency

    Science.gov (United States)

    Dutta, Rohan; Ghosh, Parthasarathi; Chowdhury, Kanchan

    2017-12-01

    Diverse power generation sector requires energy storage due to penetration of variable renewable energy sources and use of CO2 capture plants with fossil fuel based power plants. Cryogenic energy storage being large-scale, decoupled system with capability of producing large power in the range of MWs is one of the options. The drawback of these systems is low turnaround efficiencies due to liquefaction processes being highly energy intensive. In this paper, the scopes of improving the turnaround efficiency of such a plant based on liquid Nitrogen were identified and some of them were addressed. A method using multiple stages of reheat and expansion was proposed for improved turnaround efficiency from 22% to 47% using four such stages in the cycle. The novelty here is the application of reheating in a cryogenic system and utilization of waste heat for that purpose. Based on the study, process conditions for a laboratory-scale setup were determined and presented here.

  7. Proton conductive Pt-Co nanoparticles anchoring on citric acid functionalized graphene for efficient oxygen reduction reaction

    Science.gov (United States)

    Zhao, Yige; Liu, Jingjun; Wu, Yijun; Wang, Feng

    2017-08-01

    Designing highly efficient electro-catalysts for the oxygen reduction reaction (ORR) has been regarded as a demanding task in the development of renewable energy sources. However, little attention has been paid on improving Pt-based catalysts by promoting proton transfer from the electrolyte solutions to the catalyst layer at the cathode. Herein, we design proton conductive Pt-Co alloy nanoparticles anchoring on citric acid functionalized graphene (Pt-Co/CA-G) catalysts for efficient ORR. The facile modification approach for graphene can introduce oxygenated functional groups on the graphene surface to promote proton transfer as well as keeping the high electron conductivity without destroying the graphene original structure. The electrochemical results show that the Pt-Co/CA-G catalyst exhibits more excellent ORR activity and stability than the commercial Pt/C catalyst, which can be attributed to its improved proton transfer ability. The fast proton transfer comes from the hydrogen-bonding networks formed by the interaction between the oxygenated functional groups and water molecules. This work provides not only a novel and simple approach to modify graphene but also an effective strategy to improve Pt-based catalysts for the ORR.

  8. Theoretical analysis of consecutive reactions in adiabatic stirred tank reactors

    International Nuclear Information System (INIS)

    Jo, Byung Wook; Kim, Sun Il; Hong, Won Hae; Cha, Wol Suk; Kim, Soong Pyung; Kim, Jung Gyu

    1990-01-01

    By mathematical model for the case of the consecutive first-order exothermic reaction in an adiabatic CSTR, the effects of the system parameter i. e. relative residence time, heat of reaction and thermal sensitivity of reaction rate constant, on the concentration profile of the intermediate product of a consecutive reaction were obtained as follows. For fixed values of the ratio of the reaction rate constants t 1 / t 2 , the ratio of the correponding system parameter α where α>1 and the sensitivities of the reaction rate constants S1 and S2, the maximum value of the intermediate production dimensionless concentration increases with increase in the values of the relative energy parameter E1 and E2 and it decreases with a decrease in E1 and E2. For fixed values of the ratio of the reaction rate constants t 1 / t 2 , the ratio of the corresponding system parameter α where α 1 and t 2 and it increases with a decrease in S1 and S2. For fixed values of the ratio of the reaction rate constants t 1 / t 2 , the ratio of the corresponding system parameters α where α=1 and the relative energy parameters E1 and E2, the maximum value of the intermediate product dimensionless is constant with either increase or decrease in the sensitivities of the reaction rate constants S1 and S2. (Author)

  9. High performance monolithic power management system with dynamic maximum power point tracking for microbial fuel cells.

    Science.gov (United States)

    Erbay, Celal; Carreon-Bautista, Salvador; Sanchez-Sinencio, Edgar; Han, Arum

    2014-12-02

    Microbial fuel cell (MFC) that can directly generate electricity from organic waste or biomass is a promising renewable and clean technology. However, low power and low voltage output of MFCs typically do not allow directly operating most electrical applications, whether it is supplementing electricity to wastewater treatment plants or for powering autonomous wireless sensor networks. Power management systems (PMSs) can overcome this limitation by boosting the MFC output voltage and managing the power for maximum efficiency. We present a monolithic low-power-consuming PMS integrated circuit (IC) chip capable of dynamic maximum power point tracking (MPPT) to maximize the extracted power from MFCs, regardless of the power and voltage fluctuations from MFCs over time. The proposed PMS continuously detects the maximum power point (MPP) of the MFC and matches the load impedance of the PMS for maximum efficiency. The system also operates autonomously by directly drawing power from the MFC itself without any external power. The overall system efficiency, defined as the ratio between input energy from the MFC and output energy stored into the supercapacitor of the PMS, was 30%. As a demonstration, the PMS connected to a 240 mL two-chamber MFC (generating 0.4 V and 512 μW at MPP) successfully powered a wireless temperature sensor that requires a voltage of 2.5 V and consumes power of 85 mW each time it transmit the sensor data, and successfully transmitted a sensor reading every 7.5 min. The PMS also efficiently managed the power output of a lower-power producing MFC, demonstrating that the PMS works efficiently at various MFC power output level.

  10. Theoretical Evaluation of the Maximum Work of Free-Piston Engine Generators

    Science.gov (United States)

    Kojima, Shinji

    2017-01-01

    Utilizing the adjoint equations that originate from the calculus of variations, we have calculated the maximum thermal efficiency that is theoretically attainable by free-piston engine generators considering the work loss due to friction and Joule heat. Based on the adjoint equations with seven dimensionless parameters, the trajectory of the piston, the histories of the electric current, the work done, and the two kinds of losses have been derived in analytic forms. Using these we have conducted parametric studies for the optimized Otto and Brayton cycles. The smallness of the pressure ratio of the Brayton cycle makes the net work done negative even when the duration of heat addition is optimized to give the maximum amount of heat addition. For the Otto cycle, the net work done is positive, and both types of losses relative to the gross work done become smaller with the larger compression ratio. Another remarkable feature of the optimized Brayton cycle is that the piston trajectory of the heat addition/disposal process is expressed by the same equation as that of an adiabatic process. The maximum thermal efficiency of any combination of isochoric and isobaric heat addition/disposal processes, such as the Sabathe cycle, may be deduced by applying the methods described here.

  11. The Paterno-Buchi reaction

    DEFF Research Database (Denmark)

    Brogaard, Rasmus Yding; Schalk, Oliver; Boguslavskiy, Andrey E.

    2012-01-01

    The Paternò-Büchi (PB) reaction between an excited carbonyl compound and an alkene has been widely studied, but so far little is known about the excited-state dynamics of the reaction. In this investigation, we used a compound in which a formyl and a vinyl group are attached to a [2.......2]paracyclophane in order to obtain a model system in pre-reactive conformation for the PB reaction. We studied the excited-state dynamics of the isolated molecule in a molecular beam using femtosecond time-resolved photoelectron spectroscopy and ab initio calculations. The results show that inter-system crossing...... within two picoseconds competes efficiently with the reaction in the singlet manifold. Thus, the PB reaction in this model system takes place in the triplet state on a time scale of nanoseconds. This result stresses the importance of triplet states in the excited-state pathway of the PB reaction...

  12. PARTICLE SWARM OPTIMIZATION BASED OF THE MAXIMUM PHOTOVOLTAIC POWER TRACTIOQG UNDER DIFFERENT CONDITIONS

    Directory of Open Access Journals (Sweden)

    Y. Labbi

    2015-08-01

    Full Text Available Photovoltaic electricity is seen as an important source of renewable energy. The photovoltaic array is an unstable source of power since the peak power point depends on the temperature and the irradiation level. A maximum peak power point tracking is then necessary for maximum efficiency.In this work, a Particle Swarm Optimization (PSO is proposed for maximum power point tracker for photovoltaic panel, are used to generate the optimal MPP, such that solar panel maximum power is generated under different operating conditions. A photovoltaic system including a solar panel and PSO MPP tracker is modelled and simulated, it has been has been carried out which has shown the effectiveness of PSO to draw much energy and fast response against change in working conditions.

  13. A bio-inspired N-doped porous carbon electrocatalyst with hierarchical superstructure for efficient oxygen reduction reaction

    Science.gov (United States)

    Miao, Yue-E.; Yan, Jiajie; Ouyang, Yue; Lu, Hengyi; Lai, Feili; Wu, Yue; Liu, Tianxi

    2018-06-01

    The bio-inspired hierarchical "grape cluster" superstructure provides an effective integration of one-dimensional carbon nanofibers (CNF) with isolated carbonaceous nanoparticles into three-dimensional (3D) conductive frameworks for efficient electron and mass transfer. Herein, a 3D N-doped porous carbon electrocatalyst consisting of carbon nanofibers with grape-like N-doped hollow carbon particles (CNF@NC) has been prepared through a simple electrospinning strategy combined with in-situ growth and carbonization processes. Such a bio-inspired hierarchically organized conductive network largely facilitates both the mass diffusion and electron transfer during the oxygen reduction reactions (ORR). Therefore, the metal-free CNF@NC catalyst demonstrates superior catalytic activity with an absolute four-electron transfer mechanism, strong methanol tolerance and good long-term stability towards ORR in alkaline media.

  14. Co@Co3O4 nanoparticle embedded nitrogen-doped carbon architectures as efficient bicatalysts for oxygen reduction and evolution reactions

    Science.gov (United States)

    Qi, Chunling; Zhang, Li; Xu, Guancheng; Sun, Zhipeng; Zhao, Aihua; Jia, Dianzeng

    2018-01-01

    The oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) play crucial roles in efficient energy conversion and storage solutions. Here, Co@Co3O4 nanoparticle embedded nitrogen-doped carbon architectures (denoted as Co@Co3O4/NCs) are prepared via a simple two-step and in situ approach by carbonization and subsequent oxidation of Co-MOF containing high contents of carbon and nitrogen. When evaluated as electrocatalyst towards both ORR and OER in a KOH electrolyte solution, the as-fabricated Co@Co3O4/NC-2 exhibits similar ORR catalytic activity to the commercial Pt/C catalyst, but superior stability and good methanol tolerance. Furthermore, the as-fabricated catalysts also show promising catalytic activity for OER. The effective catalytic activities originate from the synergistic effects between well wrapped Co@Co3O4 nanoparticles and nitrogen doped carbon structures.

  15. Approximate maximum parsimony and ancestral maximum likelihood.

    Science.gov (United States)

    Alon, Noga; Chor, Benny; Pardi, Fabio; Rapoport, Anat

    2010-01-01

    We explore the maximum parsimony (MP) and ancestral maximum likelihood (AML) criteria in phylogenetic tree reconstruction. Both problems are NP-hard, so we seek approximate solutions. We formulate the two problems as Steiner tree problems under appropriate distances. The gist of our approach is the succinct characterization of Steiner trees for a small number of leaves for the two distances. This enables the use of known Steiner tree approximation algorithms. The approach leads to a 16/9 approximation ratio for AML and asymptotically to a 1.55 approximation ratio for MP.

  16. Functionalization of multi-walled carbon nanotubes with iron phthalocyanine via a liquid chemical reaction for oxygen reduction in alkaline media

    Science.gov (United States)

    Yan, Xiaomei; Xu, Xiao; Liu, Qin; Guo, Jia; Kang, Longtian; Yao, Jiannian

    2018-06-01

    Iron single-atom catalyst in form of iron-nitrogen-carbon structure possesses the excellent catalytic activity in various chemical reactions. However, exploring a sustainable and stable single-atom metal catalyst still faces a great challenge due to low yield and complicated synthesis. Here, we report a functional multi-wall carbon nanotubes modified with iron phthalocyanine molecules via a liquid chemical reaction and realize the performance of similar single-atom catalysis for oxygen reduction reaction. A serial of characterizations strongly imply the structure change of iron phthalocyanine molecule and its close recombination with multi-wall carbon nanotubes, which are in favor of ORR catalysis. Compared to commercial platinum-carbon catalyst, composites exhibit superior activity for oxygen reduction reaction with higher half-wave potential (0.86 V), lower Tafel slope (38 mV dec-1), higher limiting current density and excellent electrochemical stability. The corresponding Zinc-air battery also presents higher maximum power density and discharge stability. Therefore, these findings provide a facile route to synthesize a highly efficient non-precious metal carbon-based catalyst.

  17. Update: An efficient synthesis of poly(ethylene glycol)-supported iron(II) porphyrin using a click reaction and its application for the catalytic olefination of aldehydes

    KAUST Repository

    Chinnusamy, Tamilselvi R.; Rodionov, Valentin; Kü hn, Fritz; Reiser, Oliver

    2012-01-01

    The facile synthesis of polyethylene glycol (PEG)-immobilized iron(II) porphyrin using a copper-catalyzed azide-alkyne [3+2] cycloaddition "click" reaction is reported. The prepared complex 5 (PEG-C 51H 39FeN 7O) was found to be an efficient

  18. Immobilization of Recombinant Glucose Isomerase for Efficient Production of High Fructose Corn Syrup.

    Science.gov (United States)

    Jin, Li-Qun; Xu, Qi; Liu, Zhi-Qiang; Jia, Dong-Xu; Liao, Cheng-Jun; Chen, De-Shui; Zheng, Yu-Guo

    2017-09-01

    Glucose isomerase is the important enzyme for the production of high fructose corn syrup (HFCS). One-step production of HFCS containing more than 55% fructose (HFCS-55) is receiving much attention for its industrial applications. In this work, the Escherichia coli harboring glucose isomerase mutant TEGI-W139F/V186T was immobilized for efficient production of HFCS-55. The immobilization conditions were optimized, and the maximum enzyme activity recovery of 92% was obtained. The immobilized glucose isomerase showed higher pH, temperature, and operational stabilities with a K m value of 272 mM and maximum reaction rate of 23.8 mM min -1 . The fructose concentration still retained above 55% after the immobilized glucose isomerase was reused for 10 cycles, and more than 85% of its initial activity was reserved even after 15 recycles of usage at temperature of 90 °C. The results highlighted the immobilized glucose isomerase as a potential biocatalyst for HFCS-55 production.

  19. Hydrazones as substrates for cycloaddition reactions

    International Nuclear Information System (INIS)

    Belskaya, N P; Eliseeva, A I; Bakulev, V A

    2015-01-01

    The [2+2]-, [4+2]- and [3+2]-cycloaddition reactions of hydrazones and 1,2-diazabuta-1,3-dienes, azomethine imines, nitrile imines and azomethine ylides formed upon hydrazone transformations with dienophiles, dipolarophiles and dienes are considered. The principal issues of structure and reactivity of active substrates and the influence of the reaction conditions and catalysts on the reaction regioselectivity and efficiency are discussed. The bibliography includes 288 references

  20. Reaction-diffusion pulses: a combustion model

    International Nuclear Information System (INIS)

    Campos, Daniel; Llebot, Josep Enric; Fort, Joaquim

    2004-01-01

    We focus on a reaction-diffusion approach proposed recently for experiments on combustion processes, where the heat released by combustion follows first-order reaction kinetics. This case allows us to perform an exhaustive analytical study. Specifically, we obtain the exact expressions for the speed of the thermal pulses, their maximum temperature and the condition of self-sustenance. Finally, we propose two generalizations of the model, namely, the case of several reactants burning together, and that of time-delayed heat conduction. We find an excellent agreement between our analytical results and simulations

  1. Reaction-diffusion pulses: a combustion model

    Energy Technology Data Exchange (ETDEWEB)

    Campos, Daniel [Grup de FIsica EstadIstica, Dept. de FIsica, Universitat Autonoma de Barcelona, E-08193 Bellaterrra (Spain); Llebot, Josep Enric [Grup de FIsica EstadIstica, Dept. de FIsica, Universitat Autonoma de Barcelona, E-08193 Bellaterrra (Spain); Fort, Joaquim [Dept. de FIsica, Univ. de Girona, Campus de Montilivi, 17071 Girona, Catalonia (Spain)

    2004-07-02

    We focus on a reaction-diffusion approach proposed recently for experiments on combustion processes, where the heat released by combustion follows first-order reaction kinetics. This case allows us to perform an exhaustive analytical study. Specifically, we obtain the exact expressions for the speed of the thermal pulses, their maximum temperature and the condition of self-sustenance. Finally, we propose two generalizations of the model, namely, the case of several reactants burning together, and that of time-delayed heat conduction. We find an excellent agreement between our analytical results and simulations.

  2. A maximum power point tracking scheme for a 1kw stand-alone ...

    African Journals Online (AJOL)

    A maximum power point tracking scheme for a 1kw stand-alone solar energy based power supply. ... Nigerian Journal of Technology ... A method for efficiently maximizing the output power of a solar panel supplying a load or battery bus under ...

  3. An efficient one-pot three-component synthesis of α-amino nitriles via Strecker reaction catalysed by bismuth(III nitrate

    Directory of Open Access Journals (Sweden)

    S. Sheik Mansoor

    2016-09-01

    Full Text Available A convenient and efficient one-pot method for the synthesis of a variety of α-amino nitriles from aldehydes, amines and trimethylsilyl cyanide (TMSCN in the presence of a catalytic amount of Bi(NO33 at room temperature in acetonitrile (MeCN is described. The significant features of this method are simple work-up procedure, inexpensive and non-toxic catalyst, shorter reaction times and excellent product yields. The catalyst Bi(NO33 can be reused. The reusability of the catalyst has been studied for the synthesis of various amino nitriles.

  4. Generation of efficient mutants of endoglycosidase from Streptococcus pyogenes and their application in a novel one-pot transglycosylation reaction for antibody modification.

    Directory of Open Access Journals (Sweden)

    Mitsuhiro Iwamoto

    Full Text Available The fine structures of Fc N-glycan modulate the biological functions and physicochemical properties of antibodies. By remodeling N-glycan to obtain a homogeneous glycoform or chemically modified glycan, antibody characteristics can be controlled or modified. Such remodeling can be achieved by transglycosylation reactions using a mutant of endoglycosidase from Streptococcus pyogenes (Endo-S and glycan oxazoline. In this study, we generated improved mutants of Endo-S by introducing additional mutations to the D233Q mutant. Notably, Endo-S D233Q/Q303L, D233Q/E350Q, and several other mutations resulted in transglycosylation efficiencies exceeding 90%, with a single-digit donor-to-substrate ratio of five, and D233Q/Y402F/D405A and several other mutations resulted in slightly reduced transglycosylation efficiencies accompanied by no detectable hydrolysis activity for 48 h. We further demonstrated that the combined use of mutants of Endo-S with Endo-M or Endo-CC, endoglycosidases from Mucor hiemalis and Coprinopsis cinerea, enables one-pot transglycosylation from sialoglycopeptide to antibodies. This novel reaction enables glycosylation remodeling of antibodies, without the chemical synthesis of oxazoline in advance or in situ.

  5. Deuterium cluster model for low energy nuclear reactions (LENR)

    Science.gov (United States)

    Miley, George; Hora, Heinrich

    2007-11-01

    For studying the possible reactions of high density deuterons on the background of a degenerate electron gas, a summary of experimental observations resulted in the possibility of reactions in pm distance and more than ksec duration similar to the K-shell electron capture [1]. The essential reason was the screening of the deuterons by a factor of 14 based on the observations. Using the bosonic properties for a cluster formation of the deuterons and a model of compound nuclear reactions [2], the measured distribution of the resulting nuclei may be explained as known from the Maruhn-Greiner theory for fission. The local maximum of the distribution at the main minimum indicates the excited states of the compound nuclei during their intermediary state. This measured local maximum may be an independent proof for the deuteron clusters at LENR. [1] H. Hora, G.H. Miley et al. Physics Letters A175, 138 (1993) [2] H. Hora and G.H. Miley, APS March Meeting 2007, Program p. 116

  6. Efficient C-O and C-N bond forming cross-coupling reactions catalyzed by core-shell structured Cu/Cu2O nanowires

    KAUST Repository

    Elshewy, Ahmed M.

    2013-12-01

    Oxygen and Nitrogen containing compounds are of utmost importance due to their interesting and diverse biological activities. The construction of the C-O and C–N bonds is of significance as it opens avenues for the introduction of ether and amine linkages in organic molecules. Despite significant advancements in this field, the construction of C-O and C–N bonds is still a major challenge for organic chemists, due to the involvement of harsh reaction conditions or the use of expensive catalysts or ligands in many cases. Thus, it is a challenge to develop alternative, milder, cheaper and more reproducible methodologies for the construction of these types of bonds. Herein, we introduce a new efficient ligand free catalytic system for C-O and C-N bond formation reactions.

  7. Efficient library synthesis of imidazoles using a multicomponent reaction and microwave irradiation

    NARCIS (Netherlands)

    Gelens, E.; De Kanter, F.J.J.; Schmitz, R.F.; Sliedregt, L.A.; Van Steen, B.J.; Kruse, C.G.; Leurs, R.; Groen, M.B.; Orru, R.V.A.

    2006-01-01

    Optimization of Radziszewski's four-component reaction employing a microwave-assisted protocol, led to a small library of 48 imidazoles with a success rate of 65% (conversion >45%). All three diversity points of the four-component reaction were varied. Aromatic and aliphatic inputs were successfully

  8. Development of blow down and sodium-water reaction jet analysis codes-Validation by sodium-water reaction tests (SWAT-1R)

    International Nuclear Information System (INIS)

    Hiroshi Seino; Akikazu Kurihara; Isao Ono; Koji Jitsu

    2005-01-01

    Blow down analysis code (LEAP-BLOW) and sodium-water reaction jet analysis code (LEAP-JET) have been developed in order to improve the evaluation method on sodium-water reaction event in the steam generator (SG) of a sodium cooled fast breeder reactor (FBR). The validation analyses by these two codes were carried out using the data of Sodium-Water Reaction Test (SWAT-1R). The following main results have been obtained through this validation: (1) The calculational results by LEAP-BLOW such as internal pressure and water flow rate show good agreement with the results of the SWAT- 1R test. (2) The LEAP-JET code can qualitatively simulate the behavior of sodium-water reaction. However, it is found that the code has tendency to overestimate the maximum temperature of the reaction jet. (authors)

  9. Power and efficiency in a regenerative gas-turbine cycle with multiple reheating and intercooling stages

    Science.gov (United States)

    Calvo Hernández, A.; Roco, J. M. M.; Medina, A.

    1996-06-01

    Using an improved Brayton cycle as a model, a general analysis accounting for the efficiency and net power output of a gas-turbine power plant with multiple reheating and intercooling stages is presented. This analysis provides a general theoretical tool for the selection of the optimal operating conditions of the heat engine in terms of the compressor and turbine isentropic efficiencies and of the heat exchanger efficiency. Explicit results for the efficiency, net power output, optimized pressure ratios, maximum efficiency, maximum power, efficiency at maximum power, and power at maximum efficiency are given. Among others, the familiar results of the Brayton cycle (one compressor and one turbine) and of the corresponding Ericsson cycle (infinite compressors and infinite turbines) are obtained as particular cases.

  10. Improving efficiency of two-type maximum power point tracking methods of tip-speed ratio and optimum torque in wind turbine system using a quantum neural network

    International Nuclear Information System (INIS)

    Ganjefar, Soheil; Ghassemi, Ali Akbar; Ahmadi, Mohamad Mehdi

    2014-01-01

    In this paper, a quantum neural network (QNN) is used as controller in the adaptive control structures to improve efficiency of the maximum power point tracking (MPPT) methods in the wind turbine system. For this purpose, direct and indirect adaptive control structures equipped with QNN are used in tip-speed ratio (TSR) and optimum torque (OT) MPPT methods. The proposed control schemes are evaluated through a battery-charging windmill system equipped with PMSG (permanent magnet synchronous generator) at a random wind speed to demonstrate transcendence of their effectiveness as compared to PID controller and conventional neural network controller (CNNC). - Highlights: • Using a new control method to harvest the maximum power from wind energy system. • Using an adaptive control scheme based on quantum neural network (QNN). • Improving of MPPT-TSR method by direct adaptive control scheme based on QNN. • Improving of MPPT-OT method by indirect adaptive control scheme based on QNN. • Using a windmill system based on PMSG to evaluate proposed control schemes

  11. Maximum Power Point Tracking of Photovoltaic System for Traffic Light Application

    Directory of Open Access Journals (Sweden)

    Riza Muhida

    2013-07-01

    Full Text Available Photovoltaic traffic light system is a significant application of renewable energy source. The development of the system is an alternative effort of local authority to reduce expenditure for paying fees to power supplier which the power comes from conventional energy source. Since photovoltaic (PV modules still have relatively low conversion efficiency, an alternative control of maximum power point tracking (MPPT method is applied to the traffic light system. MPPT is intended to catch up the maximum power at daytime in order to charge the battery at the maximum rate in which the power from the battery is intended to be used at night time or cloudy day. MPPT is actually a DC-DC converter that can step up or down voltage in order to achieve the maximum power using Pulse Width Modulation (PWM control. From experiment, we obtained the voltage of operation using MPPT is at 16.454 V, this value has error of 2.6%, if we compared with maximum power point voltage of PV module that is 16.9 V. Based on this result it can be said that this MPPT control works successfully to deliver the power from PV module to battery maximally.

  12. Genetic Determinism of Fearfulness, General Activity and Feeding Behavior in Chickens and Its Relationship with Digestive Efficiency.

    Science.gov (United States)

    Mignon-Grasteau, Sandrine; Chantry-Darmon, Céline; Boscher, Marie-Yvonne; Sellier, Nadine; Le Bihan-Duval, Elisabeth; Bertin, Aline

    2017-01-01

    The genetic relationships between behavior and digestive efficiency were studied in 860 chickens from a cross between two lines divergently selected on digestive efficiency. At 2 weeks of age each chick was video-recorded in the home pen to characterize general activity and feeding behavior. Tonic immobility and open-field tests were also carried out individually to evaluate emotional reactivity (i.e. the propensity to express fear responses). Digestive efficiency was measured at 3 weeks. Genetic parameters of behavior traits were estimated. Birds were genotyped on 3379 SNP markers to detect QTLs. Heritabilities of behavioral traits were low, apart from tonic immobility (0.17-0.18) and maximum meal length (0.14). The genetic correlations indicated that the most efficient birds fed more frequently and were less fearful. We detected 14 QTL (9 for feeding behavior, 3 for tonic immobility, 2 for frequency of lying). Nine of them co-localized with QTL for efficiency, anatomy of the digestive tract, feed intake or microbiota composition. Four genes involved in fear reactions were identified in the QTL for tonic immobility on GGA1.

  13. Strategies for method development for an inductively coupled plasma mass spectrometer with bandpass reaction cell. Approaches with different reaction gases for the determination of selenium

    International Nuclear Information System (INIS)

    Hattendorf, Bodo; Guenther, Detlef

    2003-01-01

    An inductively coupled plasma mass spectrometer with dynamic reaction cell (DRC) was used to investigate different approaches for chemical resolution of Ar 2 + ions and to improve the determination of Se. Hydrogen, methane, oxygen and nitrous oxide were used as reaction gases. The method development for each approach consists of the acquisition of spectra for blank and spiked samples at different operating parameters, including reaction gas flow and transmission settings, of the DRC. Isotope ratio studies and the analytes signal to background ratio (SBR), were used as criteria to determine the operating conditions of the DRC where spectral interferences from the ion source or from polyatomic ions formed inside the DRC are minimized. Methane was found to provide the highest reaction efficiency for determination of Se. Nitrous oxide and oxygen also very efficiently suppress the Ar 2 + interference but reaction or scattering losses of Se + and SeO + are significant. Hydrogen is the least efficient gas for Ar 2 + reduction but little scattering or reactive loss lead to a good SBR. The determination of Se as SeO + was investigated with oxygen and nitrous oxide as reaction gases. The efficiency when using the oxygenation reaction was found to be similar to the efficiency for the charge transfer reactions but the slow oxygenation of the potentially interfering Mo + renders this approach less useful for analytical purposes. Using a natural water sample it could be shown that very good agreement is obtained using methane or hydrogen for analysis of 80 Se + at the μg/l level. Limits of detection are lowest (2 ng/l) when methane is used to suppress the Ar 2 + ion and when 80 Se + is used for analysis

  14. Asymmetric aza-Diels-Alder reaction of Danishefsky's diene with imines in a chiral reaction medium

    Directory of Open Access Journals (Sweden)

    Pégot Bruce

    2006-09-01

    Full Text Available Abstract The asymmetric aza-Diels-Alder reaction of chiral imines with Danishefsky's diene in chiral ionic liquids provides the corresponding cycloadduct with moderate to high diastereoselectivity. The reaction has proved to perform better at room temperature in ionic liquids without either Lewis acid catalyst or organic solvent. Chiral ionic liquids are recycled while their efficiency is preserved.

  15. Back-reactions, short-circuits, leaks and other energy wasteful reactions in biological electron transfer: redox tuning to survive life in O(2).

    Science.gov (United States)

    Rutherford, A William; Osyczka, Artur; Rappaport, Fabrice

    2012-03-09

    The energy-converting redox enzymes perform productive reactions efficiently despite the involvement of high energy intermediates in their catalytic cycles. This is achieved by kinetic control: with forward reactions being faster than competing, energy-wasteful reactions. This requires appropriate cofactor spacing, driving forces and reorganizational energies. These features evolved in ancestral enzymes in a low O(2) environment. When O(2) appeared, energy-converting enzymes had to deal with its troublesome chemistry. Various protective mechanisms duly evolved that are not directly related to the enzymes' principal redox roles. These protective mechanisms involve fine-tuning of reduction potentials, switching of pathways and the use of short circuits, back-reactions and side-paths, all of which compromise efficiency. This energetic loss is worth it since it minimises damage from reactive derivatives of O(2) and thus gives the organism a better chance of survival. We examine photosynthetic reaction centres, bc(1) and b(6)f complexes from this view point. In particular, the evolution of the heterodimeric PSI from its homodimeric ancestors is explained as providing a protective back-reaction pathway. This "sacrifice-of-efficiency-for-protection" concept should be generally applicable to bioenergetic enzymes in aerobic environments. Copyright © 2012 Federation of European Biochemical Societies. All rights reserved.

  16. Numerical Analysis of Microwave Heating on Saponification Reaction

    Science.gov (United States)

    Huang, Kama; Jia, Kun

    2005-01-01

    Currently, microwave is widely used in chemical industry to accelerate chemical reactions. Saponification reaction has important applications in industry; some research results have shown that microwave heating can significantly accelerate the reaction [1]. But so far, no efficient method has been reported for the analysis of the heating process and design of an efficient reactor powered by microwave. In this paper, we present a method to study the microwave heating process on saponification reaction, where the reactant in a test tube is considered as a mixture of dilute solution. According to the preliminary measurement results, the effective permittivity of the mixture is approximately the permittivity of water, but the conductivity, which could change with the reaction, is derived from the reaction equation (RE). The electromagnetic field equation and reaction equation are coupled by the conductivity. Following that, the whole heating processes, which is described by Maxwell's equations, the reaction equation and heat transport equation (HTE), is analyzed by finite difference time domain (FDTD) method. The temperature rising in the test tube are measured and compared with the computational results. Good agreement can be seen between the measured and calculated results.

  17. Overview of Maximum Power Point Tracking Techniques for Photovoltaic Energy Production Systems

    DEFF Research Database (Denmark)

    Koutroulis, Eftichios; Blaabjerg, Frede

    2015-01-01

    A substantial growth of the installed photovoltaic systems capacity has occurred around the world during the last decade, thus enhancing the availability of electric energy in an environmentally friendly way. The maximum power point tracking technique enables maximization of the energy production...... of photovoltaic sources during stochastically varying solar irradiation and ambient temperature conditions. Thus, the overall efficiency of the photovoltaic energy production system is increased. Numerous techniques have been presented during the last decade for implementing the maximum power point tracking...... process in a photovoltaic system. This article provides an overview of the operating principles of these techniques, which are suited for either uniform or non-uniform solar irradiation conditions. The operational characteristics and implementation requirements of these maximum power point tracking...

  18. Host-Guest Engineering of Layered Double Hydroxides towards Efficient Oxygen Evolution Reaction: Recent Advances and Perspectives

    Directory of Open Access Journals (Sweden)

    Jianming Li

    2018-05-01

    Full Text Available Electrochemical water splitting has great potential in the storage of intermittent energy from the sun, wind, or other renewable sources for sustainable clean energy applications. However, the anodic oxygen evolution reaction (OER usually determines the efficiency of practical water electrolysis due to its sluggish four-electron process. Layered double hydroxides (LDHs have attracted increasing attention as one of the ideal and promising electrocatalysts for water oxidation due to their excellent activity, high stability in basic conditions, as well as their earth-abundant compositions. In this review, we discuss the recent progress on LDH-based OER electrocatalysts in terms of active sites, host-guest engineering, and catalytic performances. Moreover, further developments and challenges in developing promising electrocatalysts based on LDHs are discussed from the viewpoint of molecular design and engineering.

  19. Stochastic efficiency: five case studies

    International Nuclear Information System (INIS)

    Proesmans, Karel; Broeck, Christian Van den

    2015-01-01

    Stochastic efficiency is evaluated in five case studies: driven Brownian motion, effusion with a thermo-chemical and thermo-velocity gradient, a quantum dot and a model for information to work conversion. The salient features of stochastic efficiency, including the maximum of the large deviation function at the reversible efficiency, are reproduced. The approach to and extrapolation into the asymptotic time regime are documented. (paper)

  20. Direct processes in heavy ion reactions

    International Nuclear Information System (INIS)

    Bunakov, V.E.; Zagrebaev, V.I.

    1983-01-01

    Direct processes in heavy ion reactions are investigated. Relative theoretical contributions in the inclusive spectrum of α particles on processes of stripping breakup and inelastic breakup are estimated using the 22 Ne+ 181 Ta reaction as an example. The consideration is performed taking into account Coulomb and nuclear distortions in the inlet and outlet ion channels. It is shown that the hard edge of α spectrum and its maximum are well described by peripheral direct processes. The hard spectrum edge is conditioned by the pure process of ''incomplete fussion'' bringing about the production af a compound nucleus. The main part of inclusive spectrum is conditioned by reactions of inelastic and elastic breakup not connected with the production of a compound nucleus

  1. Efficient Conversion of Inulin to Inulooligosaccharides through Endoinulinase from Aspergillus niger.

    Science.gov (United States)

    Xu, Yanbing; Zheng, Zhaojuan; Xu, Qianqian; Yong, Qiang; Ouyang, Jia

    2016-03-30

    Inulooligosaccharides (IOS) represent an important class of oligosaccharides at industrial scale. An efficient conversion of inulin to IOS through endoinulinase from Aspergillus niger is presented. A 1482 bp codon optimized gene fragment encoding endoinulinase from A. niger DSM 2466 was cloned into pPIC9K vector and was transformed into Pichia pastoris KM71. Maximum activity of the recombinant endoinulinase, 858 U/mL, was obtained at 120 h of the high cell density fermentation process. The optimal conditions for inulin hydrolysis using the recombinant endoinulinase were investigated. IOS were harvested with a high concentration of 365.1 g/L and high yield up to 91.3%. IOS with different degrees of polymerization (DP, mainly DP 3-6) were distributed in the final reaction products.

  2. Fe Isolated Single Atoms on S, N Codoped Carbon by Copolymer Pyrolysis Strategy for Highly Efficient Oxygen Reduction Reaction.

    Science.gov (United States)

    Li, Qiheng; Chen, Wenxing; Xiao, Hai; Gong, Yue; Li, Zhi; Zheng, Lirong; Zheng, Xusheng; Yan, Wensheng; Cheong, Weng-Chon; Shen, Rongan; Fu, Ninghua; Gu, Lin; Zhuang, Zhongbin; Chen, Chen; Wang, Dingsheng; Peng, Qing; Li, Jun; Li, Yadong

    2018-06-01

    Heteroatom-doped Fe-NC catalyst has emerged as one of the most promising candidates to replace noble metal-based catalysts for highly efficient oxygen reduction reaction (ORR). However, delicate controls over their structure parameters to optimize the catalytic efficiency and molecular-level understandings of the catalytic mechanism are still challenging. Herein, a novel pyrrole-thiophene copolymer pyrolysis strategy to synthesize Fe-isolated single atoms on sulfur and nitrogen-codoped carbon (Fe-ISA/SNC) with controllable S, N doping is rationally designed. The catalytic efficiency of Fe-ISA/SNC shows a volcano-type curve with the increase of sulfur doping. The optimized Fe-ISA/SNC exhibits a half-wave potential of 0.896 V (vs reversible hydrogen electrode (RHE)), which is more positive than those of Fe-isolated single atoms on nitrogen codoped carbon (Fe-ISA/NC, 0.839 V), commercial Pt/C (0.841 V), and most reported nonprecious metal catalysts. Fe-ISA/SNC is methanol tolerable and shows negligible activity decay in alkaline condition during 15 000 voltage cycles. X-ray absorption fine structure analysis and density functional theory calculations reveal that the incorporated sulfur engineers the charges on N atoms surrounding the Fe reactive center. The enriched charge facilitates the rate-limiting reductive release of OH* and therefore improved the overall ORR efficiency. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Monoacylglycerol synthesis via enzymatic glycerolysis using a simple and efficient reaction system

    DEFF Research Database (Denmark)

    Yang, Tiankui; MORTEN, REBSDORF; ULRIK, ENGELRUD

    2005-01-01

    TL IM and Novozym 435 were employed in a batch reaction system. Novozym 435 showed better properties in glycerolysis. The increased temperature and high glycerol/oil ratio had little effect on the yield of MAGs in such a system. The reaction in a packed bed reactor (PBR) gave lower yield of MAGs...

  4. Novel bipyridinyl oxadiazole-based metal coordination complexes: High efficient and green synthesis of 3,4-dihydropyrimidin-2(1H)-ones through the Biginelli reactions

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jin-Hua; Zhang, E. [Department of Chemical Engineering, Shandong Provincial Key Laboratory of Fine Chemicals, Qilu University of Technology, Jinan 250353 (China); Tang, Gui-Mei, E-mail: meiguit@163.com [Department of Chemical Engineering, Shandong Provincial Key Laboratory of Fine Chemicals, Qilu University of Technology, Jinan 250353 (China); Wang, Yong-Tao, E-mail: ceswyt@qlu.edu.cn [Department of Chemical Engineering, Shandong Provincial Key Laboratory of Fine Chemicals, Qilu University of Technology, Jinan 250353 (China); Cui, Yue-Zhi [Department of Chemical Engineering, Shandong Provincial Key Laboratory of Fine Chemicals, Qilu University of Technology, Jinan 250353 (China); Ng, Seik Weng [Department of Chemistry, University of Malaya, Kuala Lumpur 50603 (Malaysia)

    2016-09-15

    Three new metal coordination complexes, namely, [Co(BPO){sub 2}(H{sub 2}O){sub 4}](BS){sub 2}(H{sub 2}O){sub 2} (1), [Co(BPO){sub 2}(H{sub 2}O){sub 4}](ABS){sub 2}(H{sub 2}O){sub 2} (2), [Co(BPO){sub 2}(H{sub 2}O){sub 4}](MBS){sub 2}(H{sub 2}O){sub 2} (3) [BPO=2,5-di(pyridin-4-yl)-1,3,4-oxadiazole, BS=benzenesulphonate, ABS=4-aminobenzenesulphonate, MBS=4-methylbenzenesulphonate] were obtained under hydrothermal conditions. Complexes 1–3 were structurally characterized by single-crystal X-ray diffraction, powder X-ray diffraction, IR and thermogravimetric analyses (TGA). All of them display a zero-dimensional motif, in which strong intermolecular hydrogen bonding interactions (O–H···O/N) and packing interactions (C–H···π and π···π) make them achieve a three-dimensional supramolecular architecture. The primary catalytic results of these three complexes show that high efficiency for the green synthesis of a variety of 3,4-dihydropyrimidin-2(1H)-ones was observed under solvent free conditions through Biginelli reactions. The present catalytic protocols exhibit advantages such as excellent yield, easy isolation, eco-friendly conditions, and short reaction time. - Graphical abstract: Three new metal coordination complexes with bipyridinyl-oxadiazole were obtained under hydrothermal conditions, which display a zero-dimensional motif, and show high efficiency for the green synthesis of a variety of 3,4-dihydropyrimidin-2(1H)-ones under solvent free conditions through Biginelli reactions. The present catalytic protocols exhibit advantages such as excellent yield, easy isolation, eco-friendly conditions, and short reaction time. Display Omitted.

  5. Maximum entropy decomposition of quadrupole mass spectra

    International Nuclear Information System (INIS)

    Toussaint, U. von; Dose, V.; Golan, A.

    2004-01-01

    We present an information-theoretic method called generalized maximum entropy (GME) for decomposing mass spectra of gas mixtures from noisy measurements. In this GME approach to the noisy, underdetermined inverse problem, the joint entropies of concentration, cracking, and noise probabilities are maximized subject to the measured data. This provides a robust estimation for the unknown cracking patterns and the concentrations of the contributing molecules. The method is applied to mass spectroscopic data of hydrocarbons, and the estimates are compared with those received from a Bayesian approach. We show that the GME method is efficient and is computationally fast

  6. Ozonization, Amination and Photoreduction of Graphene Oxide for Triiodide Reduction Reaction: An Experimental and Theoretical Study

    International Nuclear Information System (INIS)

    Jing, Hongyu; Ren, Suzhen; Shi, Yantao; Song, Xuedan; Yang, Ying; Guo, Yanan; An, Yonglin; Hao, Ce

    2017-01-01

    This work proposes a mild and environmentally-friendly approach to prepare a highly efficient functional graphene (termed as AGO-hv) using methods of ozone oxidation, solvothermal synthesis, and photoreduction. The use of ozone oxidation in the first step can effectively increase the interlaminar distance between graphite oxide sheets, and create active sites for nucleophilic attack on the epoxy carbon from ammonia. The amino groups were successfully grafted on the surface of graphene as evidenced by the amidation reaction, with a maximum nitrogen content of 10.46 wt% and a C/N molar ratio of 8.46. After further photoreduction of the aminated graphite oxide (AGO), the residual oxygen functionalities, such as C-OH, were effectively removed and the conductivity of the graphene sheet was further recovered. The dye-sensitized solar cell (DSC) exhibited a power conversion efficiency (PCE) of 7.51% based on AGO-hv counter electrode (CE), close to that of Pt counterpart (7.79%). The experimental results indicated that the amidation and photoreduction processes were significantly facilitated by the initial ozonization of graphene oxide, and this process significantly improved the electrochemical activity and the conductivity of graphene oxide. Density functional theory (DFT) calculations revealed that AGO-hv had the lowest ionization energy (a better electron-donating ability) and also suitable binding energy with I atoms as well. The combination of ozonization, amination and photoreduction is an efficient route to obtain electrocatalysts with desired compositional distributions and performance for triiodide reduction reaction in DSCs.

  7. An efficient synthesis of β-amino ketone compounds through one-pot three-component Mannich-type reactions using bismuth nitrate as catalyst

    Directory of Open Access Journals (Sweden)

    S. Sheik Mansoor

    2015-07-01

    Full Text Available Three components one-pot Mannich reaction of aromatic ketone, aromatic aldehyde and aromatic amines has been efficiently catalyzed by recyclable bismuth nitrate (Bi(NO33, BN at ambient temperature to give various β-amino carbonyl compounds in high yields. This method has advantages of mild condition, no environmental pollution, and simple work-up procedures. Most importantly, β-amino carbonyl compounds with ortho-substituted aromatic amines are obtained in acceptable to moderate yields by this methodology.

  8. Copper(I)-Catalyzed Asymmetric Desymmetrization through Inverse-Electron-Demand aza-Diels-Alder Reaction: Efficient Access to Tetrahydropyridazines Bearing a Unique α-Chiral Silane Moiety.

    Science.gov (United States)

    Wei, Liang; Zhou, Yu; Song, Zhi-Min; Tao, Hai-Yan; Lin, Zhenyang; Wang, Chun-Jiang

    2017-04-11

    An unprecedented copper(I)-catalyzed asymmetric desymmetrization of 5-silylcyclopentadienes with in situ formed azoalkene was realized through an inverse-electron-demand aza-Diels-Alder reaction (IEDDA) pathway, in which 5-silylcyclopentadienes served as efficient enophiles. This new protocol provides a facile access to the biologically important heterocyclic tetrahydropyridazines containing a unique α-chiral silane motif and three adjoining stereogenic centers in generally good yield (up to 92 %) with exclusive regioselectivity, high diastereoselectivity (>20:1 diastereomeric ratio), and excellent enantioselectivity (up to 98 % enantiomeric excess). DFT calculations and control experiments further confirmed the proposed reaction mechanism. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Kinetics analysis for development of a rate constant estimation model for ultrasonic degradation reaction of methylene blue.

    Science.gov (United States)

    Kobayashi, Daisuke; Honma, Chiemi; Matsumoto, Hideyuki; Takahashi, Tomoki; Kuroda, Chiaki; Otake, Katsuto; Shono, Atsushi

    2014-07-01

    Ultrasound has been used as an advanced oxidation method for wastewater treatment. Sonochemical degradation of organic compounds in aqueous solution occurs by pyrolysis and/or reaction with hydroxyl radicals. Moreover, kinetics of sonochemical degradation has been proposed. However, the effect of ultrasonic frequency on degradation rate has not been investigated. In our previous study, a simple model for estimating the apparent degradation rate of methylene blue was proposed. In this study, sonochemical degradation of methylene blue was performed at various frequencies. Apparent degradation rate constant was evaluated assuming that sonochemical degradation of methylene blue was a first-order reaction. Specifically, we focused on effects of ultrasonic frequency and power on rate constant, and the applicability of our proposed model was demonstrated. Using this approach, maximum sonochemical degradation rate was observed at 490 kHz, which agrees with a previous investigation into the effect of frequency on the sonochemical efficiency value evaluated by KI oxidation dosimetry. Degradation rate increased with ultrasonic power at every frequency. It was also observed that threshold power must be reached for the degradation reaction to progress. The initial methylene blue concentration and the apparent degradation rate constant have a relation of an inverse proportion. Our proposed model for estimating the apparent degradation rate constant using ultrasonic power and sonochemical efficiency value can apply to this study which extended the frequency and initial concentration range. Copyright © 2013 Elsevier B.V. All rights reserved.

  10. Maximum likelihood estimation for Cox's regression model under nested case-control sampling

    DEFF Research Database (Denmark)

    Scheike, Thomas; Juul, Anders

    2004-01-01

    Nested case-control sampling is designed to reduce the costs of large cohort studies. It is important to estimate the parameters of interest as efficiently as possible. We present a new maximum likelihood estimator (MLE) for nested case-control sampling in the context of Cox's proportional hazard...

  11. The maximum theoretical performance of unconcentrated solar photovoltaic and thermoelectric generator systems

    DEFF Research Database (Denmark)

    Bjørk, Rasmus; Nielsen, Kaspar Kirstein

    2017-01-01

    The maximum efficiency for photovoltaic (PV) and thermoelectric generator (TEG) systems without concentration is investigated. Both a combined system where the TEG is mounted directly on the back of the PV and a tandem system where the incoming sunlight is split, and the short wavelength radiation...

  12. Design and implementation of a microcontroller-based maximum power point tracking fuzzy solar-charge controller

    Energy Technology Data Exchange (ETDEWEB)

    Qazalbash, A.A.; Iqbal, T.; Shafiq, M.Z. [National Univ. of Sciences and Technology, Rawalpindi (Pakistan). Dept. of Electrical Engineering

    2007-07-01

    Photovoltaic (PV) solar arrays are particularly useful for electrical power generation in remote, off-grid areas in developing countries. However, PV arrays offer a small power to area ratio, resulting in the need for more PV arrays which increases the cost of the system. In order to improve the profitability of PV arrays, the power extraction from available PV array systems must be maximized. This paper presented an analysis, modeling and implementation of an efficient solar charge controller. It was shown that the maximum power of a photovoltaic system depends largely on temperature and insolation. A perturb and observe algorithm was used for maximum power point tracking (MPPT). MPPT maximizes the efficiency of a solar PV system. A solar charge controller determines the optimal values of output current and voltage of converters to maximize power output for battery charging. In order to improve performance and implement the perturb and observe algorithm, the authors designed a fuzzy rule-based system in which a solar charge controller worked with a PWM controlled DC-DC converter for battery charging. The system was implemented on a low-cost PIC microcontroller. Results were better than conventional techniques in power efficiency. Swift maximum power point tracking was obtained. 13 refs., 1 tab., 11 figs.

  13. Unconventional Passerini Reaction toward α-Aminoxy-amides

    NARCIS (Netherlands)

    Chandgude, Ajay L; Dömling, Alexander

    2016-01-01

    The Passerini multicomponent reaction (P-3CR) toward the one-step synthesis of α-aminoxy-amide, by employing for the first time a N-hydroxamic acid component, has been reported. The sonication-accelerated, catalyst-free, simple, fast, and highly efficient Passerini reaction is used for the synthesis

  14. Photonic efficiency of the photodegradation of paracetamol in water by the photo-Fenton process.

    Science.gov (United States)

    Yamal-Turbay, E; Ortega, E; Conte, L O; Graells, M; Mansilla, H D; Alfano, O M; Pérez-Moya, M

    2015-01-01

    An experimental study of the homogeneous Fenton and photo-Fenton degradation of 4-amidophenol (paracetamol, PCT) is presented. For all the operation conditions evaluated, PCT degradation is efficiently attained by both Fenton and photo-Fenton processes. Also, photonic efficiencies of PCT degradation and mineralization are determined under different experimental conditions, characterizing the influence of hydrogen peroxide (H2O2) and Fe(II) on both contaminant degradation and sample mineralization. The maximum photonic degradation efficiencies for 5 and 10 mg L(-1) Fe(II) were 3.9 (H2O2 = 189 mg L(-1)) and 5 (H2O2 = 378 mg L(-1)), respectively. For higher concentrations of oxidant, H2O2 acts as a "scavenger" radical, competing in pollutant degradation and reducing the reaction rate. Moreover, in order to quantify the consumption of the oxidizing agent, the specific consumption of the hydrogen peroxide was also evaluated. For all operating conditions of both hydrogen peroxide and Fe(II) concentration, the consumption values obtained for Fenton process were always higher than the corresponding values observed for photo-Fenton. This implies a less efficient use of the oxidizing agent for dark conditions.

  15. MODEL PREDICTIVE CONTROL FOR PHOTOVOLTAIC STATION MAXIMUM POWER POINT TRACKING SYSTEM

    Directory of Open Access Journals (Sweden)

    I. Elzein

    2015-01-01

    Full Text Available The purpose of this paper is to present an alternative maximum power point tracking, MPPT, algorithm for a photovoltaic module, PVM, to produce the maximum power, Pmax, using the optimal duty ratio, D, for different types of converters and load matching.We present a state-based approach to the design of the maximum power point tracker for a stand-alone photovoltaic power generation system. The system under consideration consists of a solar array with nonlinear time-varying characteristics, a step-up converter with appropriate filter.The proposed algorithm has the advantages of maximizing the efficiency of the power utilization, can be integrated to other MPPT algorithms without affecting the PVM performance, is excellent for Real-Time applications and is a robust analytical method, different from the traditional MPPT algorithms which are more based on trial and error, or comparisons between present and past states. The procedure to calculate the optimal duty ratio for a buck, boost and buck-boost converters, to transfer the maximum power from a PVM to a load, is presented in the paper. Additionally, the existence and uniqueness of optimal internal impedance, to transfer the maximum power from a photovoltaic module using load matching, is proved.

  16. Maximum permissible dose

    International Nuclear Information System (INIS)

    Anon.

    1979-01-01

    This chapter presents a historic overview of the establishment of radiation guidelines by various national and international agencies. The use of maximum permissible dose and maximum permissible body burden limits to derive working standards is discussed

  17. Maximum power point tracking algorithm based on sliding mode and fuzzy logic for photovoltaic sources under variable environmental conditions

    Science.gov (United States)

    Atik, L.; Petit, P.; Sawicki, J. P.; Ternifi, Z. T.; Bachir, G.; Della, M.; Aillerie, M.

    2017-02-01

    Solar panels have a nonlinear voltage-current characteristic, with a distinct maximum power point (MPP), which depends on the environmental factors, such as temperature and irradiation. In order to continuously harvest maximum power from the solar panels, they have to operate at their MPP despite the inevitable changes in the environment. Various methods for maximum power point tracking (MPPT) were developed and finally implemented in solar power electronic controllers to increase the efficiency in the electricity production originate from renewables. In this paper we compare using Matlab tools Simulink, two different MPP tracking methods, which are, fuzzy logic control (FL) and sliding mode control (SMC), considering their efficiency in solar energy production.

  18. Versatile Dual Photoresponsive System for Precise Control of Chemical Reactions.

    Science.gov (United States)

    Xu, Can; Bing, Wei; Wang, Faming; Ren, Jinsong; Qu, Xiaogang

    2017-08-22

    A versatile method for photoregulation of chemical reactions was developed through a combination of near-infrared (NIR) and ultraviolet (UV) light sensitive materials. This regulatory effect was achieved through photoresponsive modulation of reaction temperature and pH values, two prominent factors influencing reaction kinetics. Photothermal nanomaterial graphene oxide (GO) and photobase reagent malachite green carbinol base (MGCB) were selected for temperature and pH regulation, respectively. Using nanocatalyst- and enzyme-mediated chemical reactions as model systems, we demonstrated the feasibility and high efficiency of this method. In addition, a photoresponsive, multifunctional "Band-aid"-like hydrogel platform was presented for programmable wound healing. Overall, this simple, efficient, and reversible system was found to be effective for controlling a wide variety of chemical reactions. Our work may provide a method for remote and sustainable control over chemical reactions for industrial and biomedical applications.

  19. Two-proton correlation functions in nuclear reactions

    International Nuclear Information System (INIS)

    Verde, G.

    2001-01-01

    Full text: Proton-proton correlation functions can be used to study the space-time characteristics of nuclear reactions. For very short-lived sources, the maximum value of the correlation at 20 MeV/c, due to the attractive nature of the S-wave phase shift, provides a unique measure of the size of the emitting source. For long-lived sources, the height of this maximum depends, in addition, on the life time of the source. In this talk, we investigate the common reaction scenario involving both fast dynamical as well as slower emissions from evaporation and/or secondary decays of heavy fragments. We show that the maximum at 20 MeV/c depends both on the source dimension and on the fraction of coincident proton pairs produced in the early stage of the reaction, dominated by fast dynamical preequilibrium emission. The width of the peak at 20 MeV/c, on the other hand, is uniquely correlated to the size of the source. Hence, the size of the emitting source must be extracted from the width or, even better, from the entire shape of the correlation peak, and not from the height. By numerically inverting the measured correlation function, we show that existing data determine only the shape of the fast dynamical source and that its size changes little with proton momenta, contrary to previous analyses with Gaussian sources of zero-lifetime. We further show that the well documented dramatic decrease in the correlation maximum with decreasing total proton momentum reflects directly a corresponding decrease in the fraction of contributing proton pairs from preequilibrium emissions. This provides a powerful method to decompose the proton spectrum into a fraction that originates from fast dynamical emission and a complimentary fraction that originates from slower evaporative emission or secondary decays. We discuss also the comparison of such correlations to transport theories and the generalizations of these techniques to correlations between composite particles. Such studies can

  20. Theoretical analysis of thermal molten metal-water reactions

    International Nuclear Information System (INIS)

    Schwalbe, W.

    1982-01-01

    In experiments with greater masses (kg-scale) two extreme cases had been oberved during the course of reaction when hot melt reacted with a vaporizable cooler liquid. Relatively mild hot interactions with slow pressure build-up and small pressure peak in the reaction volume often occurred but there were also some very violent reactions (steam explosions) where a remarkable portion of thermal energy had been transformed into mechanical energy with high pressure peaks. For the two types of reactions overall models for water as a coolant are developed here. Based on calculations and on comparisons with corresponding experiments it is shown that a relatively mild course of reaction can be explained by a fragmentation of the melt under following violent evaporation of the cooling medium. Pressures only with small reaction volumes up to the MPa range can be found in these reactions. The calculations, for example of Bird and Millington, showed a pressure maximum of 1 MPa after 170 ms of the start of the reaction; this agrees very well with the result of the experiment of 1.08 MPa. (orig./GL) [de

  1. Hollow hemisphere-shaped macroporous graphene/tungsten carbide/platinum nanocomposite as an efficient electrocatalyst for the oxygen reduction reaction

    International Nuclear Information System (INIS)

    Li, Zesheng; Liu, Zhisen; Li, Bolin; Liu, Zhenghui; Li, Dehao; Wang, Hongqiang; Li, Qingyu

    2016-01-01

    Graphical abstract: Newfashioned hollow hemisphere-shaped macroporous graphene/tungsten carbide/platinum (HMG/WC/Pt) nanocomposite with interesting three-dimensional architecture bas been successfully fabricated as an efficient electrocatalyst for the oxygen reduction reaction. - Highlights: • Hollow hemisphere-shaped macroporous graphene is proposed as ORR catalyst support. • Honeycomb-like macroporous graphene/WC/Pt electrocatalyst is firsy prepared for ORR. • The present electrocatalyst exhibited greatly enhanced ORR catalytic activity and stability. - Abstract: Hollow hemisphere-shaped macroporous graphene/tungsten carbide/platinum (HMG/WC/Pt) nanocomposite has been synthesized as an efficient electrocatalyst for the oxygen reduction reaction (ORR). The HMG/WC/Pt sample has been systematically characterized by the X-ray diffraction (XRD), Scanning electron microscope (SEM) and Transmission electron microscopy (TEM). The analysis results indicate that the sample has an interesting three-dimensional hollow hemisphere-shaped macroporous architecture. The results also demonstrate the successful integration of WC and Pt nanoparticles on the HMG, in which the WC nanoparticles are in size of about 10 nm and the Pt nanoparticles are in size of about 3 nm. The as-prepared HMG/WC/Pt electrode displays excellent electrocatalytic performances for the ORR in 0.1 mol L −1 HClO 4 electrolyte. The mass activity (i m at 0.9 V) of HMG/WC/Pt is 206 mA mg −1 Pt, which is about 85% higher than that of Pt/C (112 mA mg −1 Pt). It also displayed a very high activity retention of 84.5% after 2000 cyclic voltammetry cycles for the HMG/WC/Pt, while that of the Pt/C is only 70.5%. The HMG/WC/Pt nanocomposite would be a promising electrocatalytic material for the ORR in Fuel cell applications.

  2. Direct maximum parsimony phylogeny reconstruction from genotype data.

    Science.gov (United States)

    Sridhar, Srinath; Lam, Fumei; Blelloch, Guy E; Ravi, R; Schwartz, Russell

    2007-12-05

    Maximum parsimony phylogenetic tree reconstruction from genetic variation data is a fundamental problem in computational genetics with many practical applications in population genetics, whole genome analysis, and the search for genetic predictors of disease. Efficient methods are available for reconstruction of maximum parsimony trees from haplotype data, but such data are difficult to determine directly for autosomal DNA. Data more commonly is available in the form of genotypes, which consist of conflated combinations of pairs of haplotypes from homologous chromosomes. Currently, there are no general algorithms for the direct reconstruction of maximum parsimony phylogenies from genotype data. Hence phylogenetic applications for autosomal data must therefore rely on other methods for first computationally inferring haplotypes from genotypes. In this work, we develop the first practical method for computing maximum parsimony phylogenies directly from genotype data. We show that the standard practice of first inferring haplotypes from genotypes and then reconstructing a phylogeny on the haplotypes often substantially overestimates phylogeny size. As an immediate application, our method can be used to determine the minimum number of mutations required to explain a given set of observed genotypes. Phylogeny reconstruction directly from unphased data is computationally feasible for moderate-sized problem instances and can lead to substantially more accurate tree size inferences than the standard practice of treating phasing and phylogeny construction as two separate analysis stages. The difference between the approaches is particularly important for downstream applications that require a lower-bound on the number of mutations that the genetic region has undergone.

  3. Direct maximum parsimony phylogeny reconstruction from genotype data

    Directory of Open Access Journals (Sweden)

    Ravi R

    2007-12-01

    Full Text Available Abstract Background Maximum parsimony phylogenetic tree reconstruction from genetic variation data is a fundamental problem in computational genetics with many practical applications in population genetics, whole genome analysis, and the search for genetic predictors of disease. Efficient methods are available for reconstruction of maximum parsimony trees from haplotype data, but such data are difficult to determine directly for autosomal DNA. Data more commonly is available in the form of genotypes, which consist of conflated combinations of pairs of haplotypes from homologous chromosomes. Currently, there are no general algorithms for the direct reconstruction of maximum parsimony phylogenies from genotype data. Hence phylogenetic applications for autosomal data must therefore rely on other methods for first computationally inferring haplotypes from genotypes. Results In this work, we develop the first practical method for computing maximum parsimony phylogenies directly from genotype data. We show that the standard practice of first inferring haplotypes from genotypes and then reconstructing a phylogeny on the haplotypes often substantially overestimates phylogeny size. As an immediate application, our method can be used to determine the minimum number of mutations required to explain a given set of observed genotypes. Conclusion Phylogeny reconstruction directly from unphased data is computationally feasible for moderate-sized problem instances and can lead to substantially more accurate tree size inferences than the standard practice of treating phasing and phylogeny construction as two separate analysis stages. The difference between the approaches is particularly important for downstream applications that require a lower-bound on the number of mutations that the genetic region has undergone.

  4. Reaction mechanism of hydroxymaleimide induced by γ-irradiation in alcohol solvents

    International Nuclear Information System (INIS)

    Nakagawa, Seiko

    2010-01-01

    Methanol and 2-propanol solutions of hydroxymaleimide were irradiated with γ-ray and mechanism of its γ-irradiation-induced reactions was investigated through final-product analyses using high performance liquid chromatography (HPLC) coupled with mass spectroscopy. An addition reaction of a solvent radical toward hydroxymaleimide was dominant among its oxygen-free γ-irradiation-induced reactions in its alcohol solutions while it is known that electron attachment toward hydroxyphthalimide or hydroxysuccinimide is dominant among their γ-irradiation-induced reactions. The radical adduct abstracts hydrogen from solvent molecule to re-produce a solvent radical. Therefore, the degradation efficiency of hydroxymaleimide was more than ten times larger than that of hydroxyphthalimide and hydroxysuccinimide. Dimer was also produced through electron attachment process in the solutions of hydroxymaleimide. In addition, it was found that the degradation efficiency increased with decrease in dose rate. An additional reaction of a solvent radical toward hydroxymaleimide competes with a radical-radical recombination. The latter was reduced, with the former leading to efficient degradation of hydroxymaleimide increased by irradiation at lower dose rate. On the contrary, the production yield of the adduct radical as well as the degradation efficiency of hydroxymaleimide was inhibited in the presence of oxygen.

  5. Reaction mechanism of hydroxymaleimide induced by γ-irradiation in alcohol solvents

    International Nuclear Information System (INIS)

    Nakagawa, Seiko

    2010-01-01

    Methanol and 2-propanol solutions of hydroxymaleimide were irradiated with γ-ray and mechanism of its γ-irradiation-induced reactions was investigated through final-product analyses using high performance liquid chromatography (HPLC) coupled with mass spectroscopy. An addition reaction of a solvent radical toward hydroxymaleimide was dominant among its oxygen-free γ-irradiation-induced reactions in its alcohol solutions while it is known that electron attachment toward hydroxyphthalimide or hydroxysuccinimide is dominant among their γ-irradiation-induced reactions. The radical adduct abstracts hydrogen from solvent molecule to re-produce a solvent radical. Therefore, the degradation efficiency of hydroxymaleimide was more than 10 times larger than that of hydroxyphthalimide and hydroxysuccinimide. Dimer was also produced through electron attachment process in the solutions of hydroxymaleimide. In addition, it was found that the degradation efficiency increased with decreasing the dose rate. An addition reaction of a solvent radical toward hydroxymaleimide competes with a radical-radical recombination. The latter was reduced and the former leading to efficient degradation of hydroxymaleimide increased by irradiation at lower dose rate. On the contrary, the production yield of the adduct radical as well as the degradation efficiency of hydroxymaleimide was inhibited in the presence of oxygen.

  6. Optimized Large-scale CMB Likelihood and Quadratic Maximum Likelihood Power Spectrum Estimation

    Science.gov (United States)

    Gjerløw, E.; Colombo, L. P. L.; Eriksen, H. K.; Górski, K. M.; Gruppuso, A.; Jewell, J. B.; Plaszczynski, S.; Wehus, I. K.

    2015-11-01

    We revisit the problem of exact cosmic microwave background (CMB) likelihood and power spectrum estimation with the goal of minimizing computational costs through linear compression. This idea was originally proposed for CMB purposes by Tegmark et al., and here we develop it into a fully functioning computational framework for large-scale polarization analysis, adopting WMAP as a working example. We compare five different linear bases (pixel space, harmonic space, noise covariance eigenvectors, signal-to-noise covariance eigenvectors, and signal-plus-noise covariance eigenvectors) in terms of compression efficiency, and find that the computationally most efficient basis is the signal-to-noise eigenvector basis, which is closely related to the Karhunen-Loeve and Principal Component transforms, in agreement with previous suggestions. For this basis, the information in 6836 unmasked WMAP sky map pixels can be compressed into a smaller set of 3102 modes, with a maximum error increase of any single multipole of 3.8% at ℓ ≤ 32 and a maximum shift in the mean values of a joint distribution of an amplitude-tilt model of 0.006σ. This compression reduces the computational cost of a single likelihood evaluation by a factor of 5, from 38 to 7.5 CPU seconds, and it also results in a more robust likelihood by implicitly regularizing nearly degenerate modes. Finally, we use the same compression framework to formulate a numerically stable and computationally efficient variation of the Quadratic Maximum Likelihood implementation, which requires less than 3 GB of memory and 2 CPU minutes per iteration for ℓ ≤ 32, rendering low-ℓ QML CMB power spectrum analysis fully tractable on a standard laptop.

  7. Production of radioactive nuclides in inverse reaction kinematics

    International Nuclear Information System (INIS)

    Traykov, E.; Rogachevskiy, A.; Bosswell, M.; Dammalapati, U.; Dendooven, P.; Dermois, O.C.; Jungmann, K.; Onderwater, C.J.G.; Sohani, M.; Willmann, L.; Wilschut, H.W.; Young, A.R.

    2007-01-01

    Efficient production of short-lived radioactive isotopes in inverse reaction kinematics is an important technique for various applications. It is particularly relevant when the isotope of interest is only a few nucleons away from a stable isotope. In this article production via charge exchange and stripping reactions in combination with a magnetic separator is explored. The relation between the separator transmission efficiency, the production yield, and the choice of beam energy is discussed. The results of some exploratory experiments will be presented

  8. Method for producing bio-fuel that integrates heat from carbon-carbon bond-forming reactions to drive biomass gasification reactions

    Science.gov (United States)

    Cortright, Randy D [Madison, WI; Dumesic, James A [Verona, WI

    2011-01-18

    A low-temperature catalytic process for converting biomass (preferably glycerol recovered from the fabrication of bio-diesel) to synthesis gas (i.e., H.sub.2/CO gas mixture) in an endothermic gasification reaction is described. The synthesis gas is used in exothermic carbon-carbon bond-forming reactions, such as Fischer-Tropsch, methanol, or dimethylether syntheses. The heat from the exothermic carbon-carbon bond-forming reaction is integrated with the endothermic gasification reaction, thus providing an energy-efficient route for producing fuels and chemicals from renewable biomass resources.

  9. Semi-Batch Reactive Distillation of Consecutive Reaction : The Saponification Reaction of Diethyl Adipate with Sodium Hydroxide Solution

    Directory of Open Access Journals (Sweden)

    Raghad Fareed Kasim

    2016-03-01

    Full Text Available This research presents a new study in reactive distillation by using consecutive reaction: the saponification reaction of diethyl adipate (DA with sodium hydroxide solution . The effect of three parameters were studied through a design of experiments applying 23 factorial design . These parameters were : the mole ratio of DA to NaOH solution (0.1 and 1 , NaOH solution concentration (3 N and 8 N , and batch time (1.5 hr. and 3.5 hr. . The conversion of DA to sodium monoethyladipate(SMA(intermediate product was the effect of these parameters which was detected . Also , the percentage purity of the intermediate product was recorded . The results showed that increasing mole ratio of DA to NaOHsolution increases the conversion and percentage purity to a maximum value within the range of study . The effect of NaOH solution concentration decreases the conversion and percentage purity to specified value within the range of study . The effect of batch time on conversion and percentage purity , when NaOH solution concentration (3 N is as follows : the increasing in batch time decreases the conversion and percentage purity to specified value within the range of study . When NaOH solution concentration (8 N increasing batch time decreases the conversion , while percentage purity increases with increasing batch time to a maximum value within the range of study . The maximum attainable conversion within the studied range of parameters was eighteen fold of the base case , while the maximum percentage purity was (99.40 % . Empirical equation was obtained using statistical analysis of experimental results . The empirical results of relative conversion was drawn . The empirical graphs showed linear variation .

  10. Efeito do hexazinone isolado e em mistura na eficiência fotossintética de Panicum maximum Effect of hexazinone applied alone and in combination on the photosynthetic efficiency of Panicum maximum

    Directory of Open Access Journals (Sweden)

    M. Girotto

    2012-06-01

    Full Text Available Esta pesquisa teve como objetivo avaliar a velocidade e intensidade de ação do hexazinone isolado e em mistura com outros inibidores do fotossistema II, através da eficiência fotossintética de Panicum maximum em pós-emergência. O ensaio foi constituído de seis tratamentos: hexazinone (250 g ha-1, tebuthiuron (1,0 kg ha-1, hexazinone + tebuthiuron (125 g ha-1 + 0,5 kg ha-1, diuron (2.400 g ha-1, hexazinone + diuron (125 + 1.200 g ha-1, metribuzin (1.440 g ha-1, hexazinone + metribuzin (125 + 720 g ha-1 e uma testemunha. O experimento foi instalado em delineamento inteiramente casualizado, com quatro repetições. Após a aplicação dos tratamentos, as plantas foram transportadas para casa de vegetação sob condições controladas de temperatura e umidade, onde ficaram durante o período experimental, sendo realizadas as seguintes avaliações: taxa de transporte de elétrons e análise visual de intoxicação. A avaliação com o fluorômetro foi realizada nos intervalos de 1, 2, 6, 24, 48, 72, 120 e 168 horas após a aplicação, e as avaliações visuais, aos três e sete dias após a aplicação. Os resultados demonstraram diferença nos tratamentos, enfatizando a aplicação do diuron, que reduziu lentamente o transporte de elétrons comparado com os outros herbicidas e, em mistura com hexazinone, apresentou efeito sinérgico. Verificou-se com o uso do fluorômetro a intoxicação antecipada em plantas de P. maximum após a aplicação de herbicidas inibidores do fotossistema II de forma isolada e em mistura.This work aimed to evaluate the speed and intensity of action of hexazinone applied alone and in combination with other photo-system II inhibitors on the photosynthetic efficiency of Panicum maximum in post-emergence. The assay consisted of six treatments: hexazinone (250 g ha-1, tebuthiuron (1.0 kg ha-1, hexazinone + tebuthiuron (125 g ha-1+ 0.5 kg ha-1, diuron (2,400 g ha-1, hexazinone + diuron (125 + 1,200 g ha-1, metribuzin

  11. Experimental evaluation of improved dual temperature hydrogen isotopic exchange reaction system

    International Nuclear Information System (INIS)

    Asakura, Yamato; Uchida, Shunsuke

    1984-01-01

    A proposed dual temperature hydrogen isotopic exchange reaction system between water and hydrogen gas is evaluated experimentally. The proposed system is composed of low temperature co-current reactors for reaction between water mists and hydrogen gas and high temperature co-current reactors for reaction between water vapor and hydrogen gas. Thus, operation is possible under atmospheric pressure with high reaction efficiency. Using the pilot test system which is composed of ten low temperature (30 0 C) reaction units and ten high temperature (200 0 C) reaction units, an experimental separation of deuterium from light water is carried out. The enrichment factor under steady state conditions, its dependency on operating time, and the reaction period necessary to obtain the steady state enrichment factor are determined experimentally and compared with calculations. It is shown that separation ability in a multistage reaction system can be estimated by numerical calculation using actual reaction efficiency in a unit reactor. (author)

  12. Airborne Hyperspectral Evaluation of Maximum Gross Photosynthesis, Gravimetric Water Content, and CO2 Uptake Efficiency of the Mer Bleue Ombrotrophic Peatland

    Directory of Open Access Journals (Sweden)

    J. Pablo Arroyo-Mora

    2018-04-01

    Full Text Available Peatlands cover a large area in Canada and globally (12% and 3% of the landmass, respectively. These ecosystems play an important role in climate regulation through the sequestration of carbon dioxide from, and the release of methane to, the atmosphere. Monitoring approaches, required to understand the response of peatlands to climate change at large spatial scales, are challenged by their unique vegetation characteristics, intrinsic hydrological complexity, and rapid changes over short periods of time (e.g., seasonality. In this study, we demonstrate the use of multitemporal, high spatial resolution (1 m2 hyperspectral airborne imagery (Compact Airborne Spectrographic Imager (CASI and Shortwave Airborne Spectrographic Imager (SASI sensors for assessing maximum instantaneous gross photosynthesis (PGmax in hummocks, and gravimetric water content (GWC and carbon uptake efficiency in hollows, at the Mer Bleue ombrotrophic bog. We applied empirical models (i.e., in situ data and spectral indices and we derived spatial and temporal trends for the aforementioned variables. Our findings revealed the distribution of hummocks (51.2%, hollows (12.7%, and tree cover (33.6%, which is the first high spatial resolution map of this nature at Mer Bleue. For hummocks, we found growing season PGmax values between 8 μmol m−2 s−1 and 12 μmol m−2 s−1 were predominant (86.3% of the total area. For hollows, our results revealed, for the first time, the spatial heterogeneity and seasonal trends for gravimetric water content and carbon uptake efficiency for the whole bog.

  13. Highly Efficient Red and White Organic Light-Emitting Diodes with External Quantum Efficiency beyond 20% by Employing Pyridylimidazole-Based Metallophosphors.

    Science.gov (United States)

    Miao, Yanqin; Tao, Peng; Wang, Kexiang; Li, Hongxin; Zhao, Bo; Gao, Long; Wang, Hua; Xu, Bingshe; Zhao, Qiang

    2017-11-01

    Two highly efficient red neutral iridium(III) complexes, Ir1 and Ir2, were rationally designed and synthesized by selecting two pyridylimidazole derivatives as the ancillary ligands. Both Ir1 and Ir2 show nearly the same photoluminescence emission with the maximum peak at 595 nm (shoulder band at about 638 nm) and achieve high solution quantum yields of up to 0.47 for Ir1 and 0.57 for Ir2. Employing Ir1 and Ir2 as emitters, the fabricated red organic light-emitting diodes (OLEDs) show outstanding performance with the maximum external quantum efficiency (EQE), current efficiency (CE), and power efficiency (PE) of 20.98%, 33.04 cd/A, and 33.08 lm/W for the Ir1-based device and 22.15%, 36.89 cd/A, and 35.85 lm/W for the Ir2-based device, respectively. Furthermore, using Ir2 as red emitter, a trichromatic hybrid white OLED, showing good warm white emission with low correlated color temperature of white device also realizes excellent device efficiencies with the maximum EQE, CE, and PE reaching 22.74%, 44.77 cd/A, and 46.89 lm/W, respectively. Such high electroluminescence performance for red and white OLEDs indicates that Ir1 and Ir2 as efficient red phosphors have great potential for future OLED displays and lightings applications.

  14. Examination of Maximum Power Point Tracking on the EV for Installing on Windmill

    OpenAIRE

    雪田, 和人; 細江, 忠司; 小田切, 雄也; 後藤, 泰之; 一柳, 勝宏

    2006-01-01

    This paper proposes that wind generator system is operated by using wind collection equipment and Maximum Power Point Tracking more and more high-efficient. As an example of the utility, it was proposed that it was used for the regeneration of electric vehicle. The efficiency upgrading of electric vehicle can be expect by introducing in addition, proposing system with the conventional regeneration. The field experiment was carried out in order to measure the effect. Regeneration energy by pro...

  15. Final Report: Utilizing Alternative Fuel Ignition Properties to Improve SI and CI Engine Efficiency

    Energy Technology Data Exchange (ETDEWEB)

    Wooldridge, Margaret; Boehman, Andre; Lavoie, George; Fatouraie, Mohammad

    2017-11-30

    Experimental and modeling studies were completed to explore leveraging physical and chemical fuel properties for improved thermal efficiency of internal combustion engines. Fundamental studies of the ignition chemistry of ethanol and iso-octane blends and constant volume spray chamber studies of gasoline and diesel sprays supported the core research effort which used several reciprocating engine platforms. Single cylinder spark ignition (SI) engine studies were carried out to characterize the impact of ethanol/gasoline, syngas (H2 and CO)/gasoline and other oxygenate/gasoline blends on engine performance. The results of the single-cylinder engine experiments and other data from the literature were used to train a GT Power model and to develop a knock criteria based on reaction chemistry. The models were used to interpret the experimental results and project future performance. Studies were also carried out using a state of the art, direct injection (DI) turbocharged multi- cylinder engine with piezo-actuated fuel injectors to demonstrate the promising spray and spark timing strategies from single-cylinder engine studies on the multi-cylinder engine. Key outcomes and conclusions of the studies were: 1. Efficiency benefits of ethanol and gasoline fuel blends were consistent and substantial (e.g. 5-8% absolute improvement in gross indicated thermal efficiency (GITE)). 2. The best ethanol/gasoline blend (based on maximum thermal efficiency) was determined by the engine hardware and limits based on component protection (e.g. peak in-cylinder pressure or maximum turbocharger inlet temperature) – and not by knock limits. Blends with <50% ethanol delivered significant thermal efficiency gains with conventional SI hardware while maintain good safety integrity to the engine hardware. 3. Other compositions of fuel blends including syngas (H2 and CO) and other dilution strategies provided significant efficiency gains as well (e.g. 5% absolute improvement in ITE). 4. When the

  16. Applying some methods to process the data coming from the nuclear reactions

    International Nuclear Information System (INIS)

    Suleymanov, M.K.; Abdinov, O.B.; Belashev, B.Z.

    2010-01-01

    Full text : The methods of a posterior increasing the resolution of the spectral lines are offered to process the data coming from the nuclear reactions. The methods have applied to process the data coming from the nuclear reactions at high energies. They give possibilities to get more detail information on a structure of the spectra of particles emitted in the nuclear reactions. The nuclear reactions are main source of the information on the structure and physics of the atomic nuclei. Usually the spectrums of the fragments of the reactions are complex ones. Apparently it is not simple to extract the necessary for investigation information. In the talk we discuss the methods of a posterior increasing the resolution of the spectral lines. The methods could be useful to process the complex data coming from the nuclear reactions. We consider the Fourier transformation method and maximum entropy one. The complex structures were identified by the method. One can see that at lest two selected points are indicated by the method. Recent we presented a talk where we shown that the results of the analyzing the structure of the pseudorapidity spectra of charged relativistic particles with ≥ 0.7 measured in Au+Em and Pb+Em at AGS and SPS energies using the Fourier transformation method and maximum entropy one. The dependences of these spectra on the number of fast target protons were studied. These distribution shown visually some plateau and shoulder that was at least three selected points on the distributions. The plateaus become wider in PbEm reactions. The existing of plateau is necessary for the parton models. The maximum entropy method could confirm the existing of the plateau and the shoulder on the distributions. The figure shows the results of applying the maximum entropy method. One can see that the method indicates several clean selected points. Some of them same with observed visually ones. We would like to note that the Fourier transformation method could not

  17. Performance Analysis of a Maximum Power Point Tracking Technique using Silver Mean Method

    Directory of Open Access Journals (Sweden)

    Shobha Rani Depuru

    2018-01-01

    Full Text Available The proposed paper presents a simple and particularly efficacious Maximum Power Point Tracking (MPPT algorithm based on Silver Mean Method (SMM. This method operates by choosing a search interval from the P-V characteristics of the given solar array and converges to MPP of the Solar Photo-Voltaic (SPV system by shrinking its interval. After achieving the maximum power, the algorithm stops shrinking and maintains constant voltage until the next interval is decided. The tracking capability efficiency and performance analysis of the proposed algorithm are validated by the simulation and experimental results with a 100W solar panel for variable temperature and irradiance conditions. The results obtained confirm that even without any perturbation and observation process, the proposed method still outperforms the traditional perturb and observe (P&O method by demonstrating far better steady state output, more accuracy and higher efficiency.

  18. The Efficiency of a Small-World Functional Brain Network

    Institute of Scientific and Technical Information of China (English)

    ZHAO Qing-Bai; ZHANG Xiao-Fei; SUI Dan-Ni; ZHOU Zhi-Jin; CHEN Qi-Cai; TANG Yi-Yuan

    2012-01-01

    We investigate whether the small-world topology of a functional brain network means high information processing efficiency by calculating the correlation between the small-world measures of a functional brain network and behavioral reaction during an imagery task.Functional brain networks are constructed by multichannel eventrelated potential data,in which the electrodes are the nodes and the functional connectivities between them are the edges.The results show that the correlation between small-world measures and reaction time is task-specific,such that in global imagery,there is a positive correlation between the clustering coefficient and reaction time,while in local imagery the average path length is positively correlated with the reaction time.This suggests that the efficiency of a functional brain network is task-dependent.%We investigate whether the small-world topology of a functional brain network means high information processing efficiency by calculating the correlation between the small-world measures of a functional brain network and behavioral reaction during an imagery task. Functional brain networks are constructed by multichannel event-related potential data, in which the electrodes are the nodes and the functional connectivities between them are the edges. The results show that the correlation between small-world measures and reaction time is task-specific, such that in global imagery, there is a positive correlation between the clustering coefficient and reaction time, while in local imagery the average path length is positively correlated with the reaction time. This suggests that the efficiency of a functional brain network is task-dependent.

  19. A polynomial time algorithm for solving the maximum flow problem in directed networks

    International Nuclear Information System (INIS)

    Tlas, M.

    2015-01-01

    An efficient polynomial time algorithm for solving maximum flow problems has been proposed in this paper. The algorithm is basically based on the binary representation of capacities; it solves the maximum flow problem as a sequence of O(m) shortest path problems on residual networks with nodes and m arcs. It runs in O(m"2r) time, where is the smallest integer greater than or equal to log B , and B is the largest arc capacity of the network. A numerical example has been illustrated using this proposed algorithm.(author)

  20. Development of odd-Z-projectile reactions for transactinide element synthesis

    International Nuclear Information System (INIS)

    Folden III, Charles Marvin

    2004-01-01

    The development of new odd-Z-projectile reactions leading to the production of transactinide elements is described. The cross section of the even-Z-projectile 208Pb(64Ni, n)271Ds reaction was measured at two new energies using the Berkeley Gas-filled Separator at the Lawrence Berkeley National Laboratory 88-Inch Cyclotron. In total, seven decay chains attributable to 271Ds were observed. These data, combined with previous results, establish an excitation function for the production of 271Ds. The maximum cross section was 20 +15 -11 pb at a center-of-target energy of 311.5 MeV in the laboratory frame.The data from the 271Ds experiments were used to estimate the optimum beam energy for the new odd-Z-projectile 208Pb(65Cu, n)272-111 reaction using the Fusion by Diffusion theory proposed by Swiatecki, Siwek-Wilczynska, and Wilczynski. A cross section for this reaction was measured for the first time, at a center-of-target energy of 321.1 MeV in the laboratory frame. The excitation energy f or compound nuclei formed at the target center was 13.2 MeV. One decay chain was observed, resulting in a measured cross section of 1.7 +3.9 -1.4 pb. This decay chain is in good agreement with previously published data on the decay of 272-111.The new odd-Z-projectile 208Pb(55Mn, n)262Bh reaction was studied at three different projectile energies, and 33 decay chains of 262Bh were observed. The existence of a previously reported alpha-decaying isomeric state in this nuclide was confirmed. Production of the ground state was preferred at all three beam energies. The maximum cross section was 540 +180 -150 pb at a projectile center-of-target energy of 264.0 MeV. This cross section is much larger than that previously reported for the even-Z-projectile 209Bi(54Cr, n)262Bh reaction, which may be because the 54Cr projectile energies in the latter reaction were too high for optimum production of the 1n product. At the highest projectile energy of 268.0 MeV in the target center, two decay

  1. Improving maximum power point tracking of partially shaded photovoltaic system by using IPSO-BELBIC

    International Nuclear Information System (INIS)

    El-Garhy, M. Abd Al-Alim; Mubarak, R.I.; El-Bably, M.

    2017-01-01

    Solar photovoltaic (PV) arrays in remote applications are often related to the rapid changes in the partial shading pattern. Rapid changes of the partial shading pattern make the tracking of maximum power point (MPP) of the global peak through the local ones too difficult. An essential need to make a fast and efficient algorithm to detect the peaks values which always vary as the sun irradiance changes. This paper presents two algorithms based on the improved particle swarm optimization technique one of them with PID controller (IPSO-PID), and the other one with Brain Emotional Learning Based Intelligent Controller (IPSO-BELBIC). These techniques improve the maximum power point (MPP) tracking capabilities for photovoltaic (PV) system under partial shading circumstances. The main aim of these improved algorithms is to accelerate the velocity of IPSO to reach to (MPP) and increase its efficiency. These algorithms also improve the tracking time under complex irradiance conditions. Based on these conditions, the tracking time of these presented techniques improves to 2 msec, with an efficiency of 100%.

  2. Improving maximum power point tracking of partially shaded photovoltaic system by using IPSO-BELBIC

    Science.gov (United States)

    Al-Alim El-Garhy, M. Abd; Mubarak, R. I.; El-Bably, M.

    2017-08-01

    Solar photovoltaic (PV) arrays in remote applications are often related to the rapid changes in the partial shading pattern. Rapid changes of the partial shading pattern make the tracking of maximum power point (MPP) of the global peak through the local ones too difficult. An essential need to make a fast and efficient algorithm to detect the peaks values which always vary as the sun irradiance changes. This paper presents two algorithms based on the improved particle swarm optimization technique one of them with PID controller (IPSO-PID), and the other one with Brain Emotional Learning Based Intelligent Controller (IPSO-BELBIC). These techniques improve the maximum power point (MPP) tracking capabilities for photovoltaic (PV) system under partial shading circumstances. The main aim of these improved algorithms is to accelerate the velocity of IPSO to reach to (MPP) and increase its efficiency. These algorithms also improve the tracking time under complex irradiance conditions. Based on these conditions, the tracking time of these presented techniques improves to 2 msec, with an efficiency of 100%.

  3. Modeling lactose hydrolysis for efficiency and selectivity: Toward the preservation of sialyloligosaccharides in bovine colostrum whey permeate.

    Science.gov (United States)

    de Moura Bell, Juliana M L N; Aquino, Leticia F M C; Liu, Yan; Cohen, Joshua L; Lee, Hyeyoung; de Melo Silva, Vitor L; Rodrigues, Maria I; Barile, Daniela

    2016-08-01

    Enzymatic hydrolysis of lactose has been shown to improve the efficiency and selectivity of membrane-based separations toward the recovery of bioactive oligosaccharides. Achieving maximum lactose hydrolysis requires intrinsic process optimization for each specific substrate, but the effects of those processing conditions on the target oligosaccharides are not well understood. Response surface methodology was used to investigate the effects of pH (3.25-8.25), temperature (35-55°C), reaction time (6 to 58 min), and amount of enzyme (0.05-0.25%) on the efficiency of lactose hydrolysis by β-galactosidase and on the preservation of biologically important sialyloligosaccharides (3'-siallylactose, 6'-siallylactose, and 6'-sialyl-N-acetyllactosamine) naturally present in bovine colostrum whey permeate. A central composite rotatable design was used. In general, β-galactosidase activity was favored at pH values ranging from 3.25 to 5.75, with other operational parameters having a less pronounced effect. A pH of 4.5 allowed for the use of a shorter reaction time (19 min), lower temperature (40°C), and reduced amount of enzyme (0.1%), but complete hydrolysis at a higher pH (5.75) required greater values for these operational parameters. The total amount of sialyloligosaccharides was not significantly altered by the reaction parameters evaluated, suggesting specificity of β-galactosidase from Aspergillus oryzae toward lactose as well as the stability of the oligosaccharides at pH, temperature, and reaction time evaluated. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

  4. Ruthenium/Graphene-like Layered Carbon Composite as an Efficient Hydrogen Evolution Reaction Electrocatalyst.

    Science.gov (United States)

    Chen, Zhe; Lu, Jinfeng; Ai, Yuejie; Ji, Yongfei; Adschiri, Tadafumi; Wan, Lijun

    2016-12-28

    Efficient water splitting through electrocatalysis has been studied extensively in modern energy devices, while the development of catalysts with activity and stability comparable to those of Pt is still a great challenge. In this work, we successfully developed a facile route to synthesize graphene-like layered carbon (GLC) from a layered silicate template. The obtained GLC has layered structure similar to that of the template and can be used as support to load ultrasmall Ru nanoparticles on it in supercritical water. The specific structure and surface properties of GLC enable Ru nanoparticles to disperse highly uniformly on it even at a large loading amount (62 wt %). When the novel Ru/GLC was used as catalyst on a glass carbon electrode for hydrogen evolution reaction (HER) in a 0.5 M H 2 SO 4 solution, it exhibits an extremely low onset potential of only 3 mV and a small Tafel slope of 46 mV/decade. The outstanding performance proved that Ru/GLC is highly active catalyst for HER, comparable with transition-metal dichalcogenides or selenides. As the price of ruthenium is much lower than platinum, our study shows that Ru/GLC might be a promising candidate as an HER catalyst in future energy applications.

  5. Space-Time Chip Equalization for Maximum Diversity Space-Time Block Coded DS-CDMA Downlink Transmission

    Directory of Open Access Journals (Sweden)

    Petré Frederik

    2004-01-01

    Full Text Available In the downlink of DS-CDMA, frequency-selectivity destroys the orthogonality of the user signals and introduces multiuser interference (MUI. Space-time chip equalization is an efficient tool to restore the orthogonality of the user signals and suppress the MUI. Furthermore, multiple-input multiple-output (MIMO communication techniques can result in a significant increase in capacity. This paper focuses on space-time block coding (STBC techniques, and aims at combining STBC techniques with the original single-antenna DS-CDMA downlink scheme. This results into the so-called space-time block coded DS-CDMA downlink schemes, many of which have been presented in the past. We focus on a new scheme that enables both the maximum multiantenna diversity and the maximum multipath diversity. Although this maximum diversity can only be collected by maximum likelihood (ML detection, we pursue suboptimal detection by means of space-time chip equalization, which lowers the computational complexity significantly. To design the space-time chip equalizers, we also propose efficient pilot-based methods. Simulation results show improved performance over the space-time RAKE receiver for the space-time block coded DS-CDMA downlink schemes that have been proposed for the UMTS and IS-2000 W-CDMA standards.

  6. Maximum-principle-satisfying space-time conservation element and solution element scheme applied to compressible multifluids

    KAUST Repository

    Shen, Hua; Wen, Chih-Yung; Parsani, Matteo; Shu, Chi-Wang

    2016-01-01

    A maximum-principle-satisfying space-time conservation element and solution element (CE/SE) scheme is constructed to solve a reduced five-equation model coupled with the stiffened equation of state for compressible multifluids. We first derive a sufficient condition for CE/SE schemes to satisfy maximum-principle when solving a general conservation law. And then we introduce a slope limiter to ensure the sufficient condition which is applicative for both central and upwind CE/SE schemes. Finally, we implement the upwind maximum-principle-satisfying CE/SE scheme to solve the volume-fraction-based five-equation model for compressible multifluids. Several numerical examples are carried out to carefully examine the accuracy, efficiency, conservativeness and maximum-principle-satisfying property of the proposed approach.

  7. Maximum-principle-satisfying space-time conservation element and solution element scheme applied to compressible multifluids

    KAUST Repository

    Shen, Hua

    2016-10-19

    A maximum-principle-satisfying space-time conservation element and solution element (CE/SE) scheme is constructed to solve a reduced five-equation model coupled with the stiffened equation of state for compressible multifluids. We first derive a sufficient condition for CE/SE schemes to satisfy maximum-principle when solving a general conservation law. And then we introduce a slope limiter to ensure the sufficient condition which is applicative for both central and upwind CE/SE schemes. Finally, we implement the upwind maximum-principle-satisfying CE/SE scheme to solve the volume-fraction-based five-equation model for compressible multifluids. Several numerical examples are carried out to carefully examine the accuracy, efficiency, conservativeness and maximum-principle-satisfying property of the proposed approach.

  8. Boehmite-An Efficient and Recyclable Acid-Base Bifunctional Catalyst for Aldol Condensation Reaction.

    Science.gov (United States)

    Reshma, P C Rajan; Vikneshvaran, Sekar; Velmathi, Sivan

    2018-06-01

    In this work boehmite was used as an acid-base bifunctional catalyst for aldol condensation reactions of aromatic aldehydes and ketones. The catalyst was prepared by simple sol-gel method using Al(NO3)3·9H2O and NH4OH as precursors. The catalyst has been characterized by X-ray diffraction (XRD), Fourier Transform Infrared (FTIR), Scanning Electron Microscopy (SEM), UV-visible spectroscopy (DRS), BET surface area analyses. Boehmite is successfully applied as catalyst for the condensation reaction between 4-nitrobenzaldehyde and acetone as a model substrate giving α, β-unsaturated ketones without any side product. The scope of the reaction is extended for various substituted aldehydes. A probable mechanism has been suggested to explain the cooperative behavior of the acidic and basic sites. The catalyst is environmentally friendly and easily recovered from the reaction mixture. Also the catalyst is reusable up to 3 catalytic cycles.

  9. Direct catalytic asymmetric aldol-Tishchenko reaction.

    Science.gov (United States)

    Gnanadesikan, Vijay; Horiuchi, Yoshihiro; Ohshima, Takashi; Shibasaki, Masakatsu

    2004-06-30

    A direct catalytic asymmetric aldol reaction of propionate equivalent was achieved via the aldol-Tishchenko reaction. Coupling an irreversible Tishchenko reaction to a reversible aldol reaction overcame the retro-aldol reaction problem and thereby afforded the products in high enantio and diastereoselectivity using 10 mol % of the asymmetric catalyst. A variety of ketones and aldehydes, including propyl and butyl ketones, were coupled efficiently, yielding the corresponding aldol-Tishchenko products in up to 96% yield and 95% ee. Diastereoselectivity was generally below the detection limit of 1H NMR (>98:2). Preliminary studies performed to clarify the mechanism revealed that the aldol products were racemic with no diastereoselectivity. On the other hand, the Tishchenko products were obtained in a highly enantiocontrolled manner.

  10. Algorithm for Fast and Efficient Detection and Reaction to Angle Instability Conditions Using Phasor Measurement Unit Data

    Directory of Open Access Journals (Sweden)

    Igor Ivanković

    2018-03-01

    Full Text Available In wide area monitoring, protection, and control (WAMPAC systems, angle stability of transmission network is monitored using data from phasor measurement units (PMU placed on transmission lines. Based on this PMU data stream advanced algorithm for out-of-step condition detection and early warning issuing is developed. The algorithm based on theoretical background described in this paper is backed up by the data and results from corresponding simulations done in Matlab environment. Presented results aim to provide the insights of the potential benefits, such as fast and efficient detection and reaction to angle instability, this algorithm can have on the improvement of the power system protection. Accordingly, suggestion is given how the developed algorithm can be implemented in protection segments of the WAMPAC systems in the transmission system operator control centers.

  11. Analysis of catalyst wetting efficiency influence on performances of industrial TBR for hydro desulfurization and hydro de aromatization reactions

    Directory of Open Access Journals (Sweden)

    Mijatović Ivana M.

    2015-01-01

    Full Text Available Many industrial scale trickle bed reactors (TBR operate at lower liquid superficial velocities (<0.5 cm/s at which the catalyst particle are not completely wetted. This phenomenon of incomplete wetting has therefore received significant attention and numerous studies have addressed the influence of wetting on the overall rate, conversion/selectivity behavior, and heat effects in TBR. The incomplete wetting conditions correspond to stagnant liquid pockets due to lower liquid superficial velocity which could cause significant influence on reactor performances. In this paper, several models for wetting efficiency in TBR on industrial level are examined and influence on reaction rate and reactor performance is discussed.

  12. Maximum Likelihood Joint Tracking and Association in Strong Clutter

    Directory of Open Access Journals (Sweden)

    Leonid I. Perlovsky

    2013-01-01

    Full Text Available We have developed a maximum likelihood formulation for a joint detection, tracking and association problem. An efficient non-combinatorial algorithm for this problem is developed in case of strong clutter for radar data. By using an iterative procedure of the dynamic logic process “from vague-to-crisp” explained in the paper, the new tracker overcomes the combinatorial complexity of tracking in highly-cluttered scenarios and results in an orders-of-magnitude improvement in signal-to-clutter ratio.

  13. Realworld maximum power point tracking simulation of PV system based on Fuzzy Logic control

    Science.gov (United States)

    Othman, Ahmed M.; El-arini, Mahdi M. M.; Ghitas, Ahmed; Fathy, Ahmed

    2012-12-01

    In the recent years, the solar energy becomes one of the most important alternative sources of electric energy, so it is important to improve the efficiency and reliability of the photovoltaic (PV) systems. Maximum power point tracking (MPPT) plays an important role in photovoltaic power systems because it maximize the power output from a PV system for a given set of conditions, and therefore maximize their array efficiency. This paper presents a maximum power point tracker (MPPT) using Fuzzy Logic theory for a PV system. The work is focused on the well known Perturb and Observe (P&O) algorithm and is compared to a designed fuzzy logic controller (FLC). The simulation work dealing with MPPT controller; a DC/DC Ćuk converter feeding a load is achieved. The results showed that the proposed Fuzzy Logic MPPT in the PV system is valid.

  14. Advances of zeolite based membrane for hydrogen production via water gas shift reaction

    Science.gov (United States)

    Makertihartha, I. G. B. N.; Zunita, M.; Rizki, Z.; Dharmawijaya, P. T.

    2017-07-01

    Hydrogen is considered as a promising energy vector which can be obtained from various renewable sources. However, an efficient hydrogen production technology is still challenging. One technology to produce hydrogen with very high capacity with low cost is through water gas shift (WGS) reaction. Water gas shift reaction is an equilibrium reaction that produces hydrogen from syngas mixture by the introduction of steam. Conventional WGS reaction employs two or more reactors in series with inter-cooling to maximize conversion for a given volume of catalyst. Membrane reactor as new technology can cope several drawbacks of conventional reactor by removing reaction product and the reaction will favour towards product formation. Zeolite has properties namely high temperature, chemical resistant, and low price makes it suitable for membrane reactor applications. Moreover, it has been employed for years as hydrogen selective layer. This review paper is focusing on the development of membrane reactor for efficient water gas shift reaction to produce high purity hydrogen and carbon dioxide. Development of membrane reactor is discussed further related to its modification towards efficient reaction and separation from WGS reaction mixture. Moreover, zeolite framework suitable for WGS membrane reactor will be discussed more deeply.

  15. Two-Step Macrocycle Synthesis by Classical Ugi Reaction

    NARCIS (Netherlands)

    Abdelraheem, Eman M M; Khaksar, Samad; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Shaabani, Shabnam; Dömling, Alexander

    2018-01-01

    The direct nonpeptidic macrocycle synthesis of α-isocyano-ω-amines via the classical Ugi four-component reaction (U-4CR) is introduced. Herein an efficient and flexible two-step procedure to complex macrocycles is reported. In the first step, the reaction between unprotected diamines and

  16. Vertically oriented CoO@FeOOH nanowire arrays anchored on carbon cloth as a highly efficient electrode for oxygen evolution reaction

    International Nuclear Information System (INIS)

    Wang, Yin; Ni, Yuanman; Liu, Bing; Shang, Shuxia; Yang, Song; Cao, Minhua; Hu, Changwen

    2017-01-01

    Graphical abstract: Three-dimensional CoO@FeOOH nanowire arrays grown on carbon cloth were constructed, which exhibit good electrocatalytic activity towards OER in alkaline solution. Display Omitted -- Abstract: Developing high efficiency electrocatalysts for electrocatalytic oxygen evolution reaction (OER) is a key to water splitting. In this work, we demonstrate the preparation of CoO@FeOOH core-shell nanowire (NWs) grown on three-dimensional (3D) carbon cloth (CC@CoO@FeOOH-NWAs) by hydrothermal method followed by electrodeposition process as well as its highly efficient activity for water oxidation. In this hybrid structure, CoO@FeOOH-NWs with an average diameter of 100 nm is vertically grown on the surface of carbon fibers of the carbon cloth. The combination of CoO@FeOOH catalyst with good electron transfer substrate exhibits exceptionally good electrocatalytic activity and long-term durability towards oxygen evolution reaction in alkaline solution. It needs an overpotential as low as 255 mV to achieve the current density of 10 mA cm −2 , with a Tafel slope of 82 mV dec −1 and also exhibits a good stability in 20 h. In addition, the nanowire array structure is well retained after the durability test with high current density of 50 mA cm −2 . Our strategy provides a guide to rational design of micro-structures of the materials to achieve their high performance.

  17. Determination of maximum negative Poisson's ratio for laminated fiber composites

    Energy Technology Data Exchange (ETDEWEB)

    Shokrieh, M.M.; Assadi, A. [Composites Research Laboratory, Mechanical Engineering Department, Center of Excellence in Experimental Solid Mechanics and Dynamics, Iran University of Science and Technology, Tehran 16846-13114 (Iran, Islamic Republic of)

    2011-05-15

    Contrary to isotropic materials, composites always show complicated mechanical behavior under external loadings. In this article, an efficient algorithm is employed to obtain the maximum negative Poisson's ratio for laminated composite plates. We try to simplify the problem based on normalization of parameters and some manufacturing constraints to overlook the additional constraint of the optimization procedure. A genetic algorithm is used to find the optimal thickness of each lamina with a specified fiber direction. It is observed that the laminated composite with the configuration of (15/60/15) has the maximum negative Poisson's ratio. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. Spectral Efficiency of OCDMA Systems With Coherent Pulsed Sources

    Science.gov (United States)

    Rochette, Martin; Rusch, Leslie A.

    2005-03-01

    We present a model to evaluate the upper limit of the spectral efficiency of optical code-division multiple-access (OCDMA) systems with coherent sources. Phase-encoded and direct-sequence OCDMA systems are evaluated using this model. The results show that a spectral efficiency of 2.24x10^-2 b/s.Hz can be achieved with a maximum bit error rate of 10^-10 in these systems of the number of users. This result demonstrates that the maximum spectral efficiency of OCDMA systems with coherent sources is at least a factor of 5 higher than OCDMA systems with incoherent sources.

  19. Removal of triclosan via peroxidases-mediated reactions in water: Reaction kinetics, products and detoxification

    International Nuclear Information System (INIS)

    Li, Jianhua; Peng, Jianbiao; Zhang, Ya; Ji, Yuefei; Shi, Huanhuan; Mao, Liang; Gao, Shixiang

    2016-01-01

    Highlights: • Enzymatic treatment of triclosan in water by soybean and horseradish peroxidases. • pH, H_2O_2 concentration and enzyme dosage affected the removal efficiency of TCS. • The removal of TCS by SBP was more efficient than that of HRP. • K_C_A_T and K_C_A_T/K_M values for SBP toward TCS were much higher than those for HRP. • Polymers formed via radical coupling mechanism were nontoxic to the growth of alga. - Abstract: This study investigated and compared reaction kinetics, product characterization, and toxicity variation of triclosan (TCS) removal mediated by soybean peroxidase (SBP), a recognized potential peroxidase for removing phenolic pollutants, and the commonly used horseradish peroxidase (HRP) with the goal of assessing the technical feasibility of SBP-catalyzed removal of TCS. Reaction conditions such as pH, H_2O_2 concentration and enzyme dosage were found to have a strong influence on the removal efficiency of TCS. SBP can retain its catalytic ability to remove TCS over broad ranges of pH and H_2O_2 concentration, while the optimal pH and H_2O_2 concentration were 7.0 and 8 μM, respectively. 98% TCS was removed with only 0.1 U mL"−"1 SBP in 30 min reaction time, while an HRP dose of 0.3 U mL"−"1 was required to achieve the similar conversion. The catalytic performance of SBP towards TCS was more efficient than that of HRP, which can be explained by catalytic rate constant (K_C_A_T) and catalytic efficiency (K_C_A_T/K_M) for the two enzymes. MS analysis in combination with quantum chemistry computation showed that the polymerization products were generated via C−C and C−O coupling pathways. The polymers were proved to be nontoxic through growth inhibition of green alga (Scenedesmus obliquus). Taking into consideration of the enzymatic treatment cost, SBP may be a better alternative to HRP upon the removal and detoxification of TCS in water/wastewater treatment.

  20. Chemical and mechanical efficiencies of molecular motors and implications for motor mechanisms

    International Nuclear Information System (INIS)

    Wang Hongyun

    2005-01-01

    Molecular motors operate in an environment dominated by viscous friction and thermal fluctuations. The chemical reaction in a motor may produce an active force at the reaction site to directly move the motor forward. Alternatively a molecular motor may generate a unidirectional motion by rectifying thermal fluctuations using free energy barriers established in the chemical reaction. The reaction cycle has many occupancy states, each having a different effect on the motor motion. The average effect of the chemical reaction on the motor motion can be characterized by the motor potential profile. The biggest advantage of studying the motor potential profile is that it can be reconstructed from the time series of motor positions measured in single-molecule experiments. In this paper, we use the motor potential profile to express the Stokes efficiency as the product of the chemical efficiency and the mechanical efficiency. We show that both the chemical and mechanical efficiencies are bounded by 100% and, thus, are properly defined efficiencies. We discuss implications of high efficiencies for motor mechanisms: a mechanical efficiency close to 100% implies that the motor potential profile is close to a constant slope; a chemical efficiency close to 100% implies that (i) the chemical transitions are not slower than the mechanical motion and (ii) the equilibrium constant of each chemical transition is close to one

  1. Adaptive double-integral-sliding-mode-maximum-power-point tracker for a photovoltaic system

    Directory of Open Access Journals (Sweden)

    Bidyadhar Subudhi

    2015-10-01

    Full Text Available This study proposed an adaptive double-integral-sliding-mode-controller-maximum-power-point tracker (DISMC-MPPT for maximum-power-point (MPP tracking of a photovoltaic (PV system. The objective of this study is to design a DISMC-MPPT with a new adaptive double-integral-sliding surface in order that MPP tracking is achieved with reduced chattering and steady-state error in the output voltage or current. The proposed adaptive DISMC-MPPT possesses a very simple and efficient PWM-based control structure that keeps switching frequency constant. The controller is designed considering the reaching and stability conditions to provide robustness and stability. The performance of the proposed adaptive DISMC-MPPT is verified through both MATLAB/Simulink simulation and experiment using a 0.2 kW prototype PV system. From the obtained results, it is found out that this DISMC-MPPT is found to be more efficient compared with that of Tan's and Jiao's DISMC-MPPTs.

  2. Intramolecular and Transannular Diels-Alder Reactions

    DEFF Research Database (Denmark)

    Tanner, David Ackland; Ascic, Erhad

    2014-01-01

    Few reactions can compete with the Diels-Alder (DA) [4+2] cycloaddition for the rapid and efficient generation of molecular complexity. The DA reaction is atom-economic and stereospecific, as well as diastereo- and regioselective. The intramolecular version (IMDA) of the DA cycloaddition and its...... and dienophile, methods for acceleration of IMDA reactions (such as use of high pressure) and catalysis (using oxophilic or carbophilic metal complexes, Brønsted acids, and enzymes). The use of furans as diene components (IMDAF), intramolecular hetero-DA (IMHDA) and IMDA reactions with inverse electron demand...... are also covered. Applications of IMDA to asymmetric synthesis (from substrate control through to enantioselective catalysis, including organocatalysis) are presented, along with tandem sequences involving IMDA cycloaddition. A theme pervading the whole chapter is the use of IMDA reactions for the total...

  3. Strategies for Innovation in Multicomponent Reaction Design

    OpenAIRE

    Ganem, Bruce

    2009-01-01

    By generating structural complexity in a single step from three or more reactants, multicomponent reactions (MCRs) make it possible to synthesize target compounds with greater efficiency and atom economy. The history of such reactions can be traced to the mid-nineteenth century when Strecker first produced α-aminonitriles from the condensation of aldehydes with ammonia and hydrogen cyanide.

  4. 10 CFR 433.4 - Energy efficiency performance standard.

    Science.gov (United States)

    2010-01-01

    ... 10 Energy 3 2010-01-01 2010-01-01 false Energy efficiency performance standard. 433.4 Section 433.4 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY STANDARDS FOR THE DESIGN AND... consumption level at or better than the maximum level of energy efficiency that is life-cycle cost-effective...

  5. Enhancement of D-T reaction rate due to D-T contact

    International Nuclear Information System (INIS)

    Hitoki, Shigehisa; Ogasawara, Masatada; Aono, Osamu.

    1979-09-01

    The reaction rate that is appropriate for magnetized nonuniform plasma is numerically calculated to investigate the enhancement of the D-T reaction rate. Spatial separation of the guiding center distributions of D and T enhances the reaction rate. Cases of several guiding center configurations are investigated. The largest enhancement is obtained, when both guiding center distributions are delta-functions which are separated by a length that corresponds to the Gamow peak energy. As compared with the case of no separation of D and T, the maximum enhancing factors obtained are 2.3 for total reaction rate and 1.6 for local reaction rate. Cases of the guiding center distributions with finite widths are also investigated. (author)

  6. PTree: pattern-based, stochastic search for maximum parsimony phylogenies

    Directory of Open Access Journals (Sweden)

    Ivan Gregor

    2013-06-01

    Full Text Available Phylogenetic reconstruction is vital to analyzing the evolutionary relationship of genes within and across populations of different species. Nowadays, with next generation sequencing technologies producing sets comprising thousands of sequences, robust identification of the tree topology, which is optimal according to standard criteria such as maximum parsimony, maximum likelihood or posterior probability, with phylogenetic inference methods is a computationally very demanding task. Here, we describe a stochastic search method for a maximum parsimony tree, implemented in a software package we named PTree. Our method is based on a new pattern-based technique that enables us to infer intermediate sequences efficiently where the incorporation of these sequences in the current tree topology yields a phylogenetic tree with a lower cost. Evaluation across multiple datasets showed that our method is comparable to the algorithms implemented in PAUP* or TNT, which are widely used by the bioinformatics community, in terms of topological accuracy and runtime. We show that our method can process large-scale datasets of 1,000–8,000 sequences. We believe that our novel pattern-based method enriches the current set of tools and methods for phylogenetic tree inference. The software is available under: http://algbio.cs.uni-duesseldorf.de/webapps/wa-download/.

  7. PTree: pattern-based, stochastic search for maximum parsimony phylogenies.

    Science.gov (United States)

    Gregor, Ivan; Steinbrück, Lars; McHardy, Alice C

    2013-01-01

    Phylogenetic reconstruction is vital to analyzing the evolutionary relationship of genes within and across populations of different species. Nowadays, with next generation sequencing technologies producing sets comprising thousands of sequences, robust identification of the tree topology, which is optimal according to standard criteria such as maximum parsimony, maximum likelihood or posterior probability, with phylogenetic inference methods is a computationally very demanding task. Here, we describe a stochastic search method for a maximum parsimony tree, implemented in a software package we named PTree. Our method is based on a new pattern-based technique that enables us to infer intermediate sequences efficiently where the incorporation of these sequences in the current tree topology yields a phylogenetic tree with a lower cost. Evaluation across multiple datasets showed that our method is comparable to the algorithms implemented in PAUP* or TNT, which are widely used by the bioinformatics community, in terms of topological accuracy and runtime. We show that our method can process large-scale datasets of 1,000-8,000 sequences. We believe that our novel pattern-based method enriches the current set of tools and methods for phylogenetic tree inference. The software is available under: http://algbio.cs.uni-duesseldorf.de/webapps/wa-download/.

  8. An efficient synthesis of symmetric and unsymmetric bis-(β-aminoamides) via Ugi multicomponent reaction.

    Science.gov (United States)

    La Spisa, Fabio; Feo, Alberto; Mossetti, Riccardo; Tron, Gian Cesare

    2012-12-07

    A library of symmetrical and unsymmetrical bis-(β-aminoamides) has been prepared starting from symmetrical secondary diamines by using a double Ugi four-component reaction. A sacrifical Mumm rearrangement, thanks to the use of 2-hydroxymethyl benzoic acid, is necessary to suppress the competing split-Ugi reaction, increasing the yield and simplifying the purification step. The scope, the reaction conditions, and the role of water in trapping the nitrilium intermediate are also discussed.

  9. Modeling and operation optimization of a proton exchange membrane fuel cell system for maximum efficiency

    International Nuclear Information System (INIS)

    Han, In-Su; Park, Sang-Kyun; Chung, Chang-Bock

    2016-01-01

    Highlights: • A proton exchange membrane fuel cell system is operationally optimized. • A constrained optimization problem is formulated to maximize fuel cell efficiency. • Empirical and semi-empirical models for most system components are developed. • Sensitivity analysis is performed to elucidate the effects of major operating variables. • The optimization results are verified by comparison with actual operation data. - Abstract: This paper presents an operation optimization method and demonstrates its application to a proton exchange membrane fuel cell system. A constrained optimization problem was formulated to maximize the efficiency of a fuel cell system by incorporating practical models derived from actual operations of the system. Empirical and semi-empirical models for most of the system components were developed based on artificial neural networks and semi-empirical equations. Prior to system optimizations, the developed models were validated by comparing simulation results with the measured ones. Moreover, sensitivity analyses were performed to elucidate the effects of major operating variables on the system efficiency under practical operating constraints. Then, the optimal operating conditions were sought at various system power loads. The optimization results revealed that the efficiency gaps between the worst and best operation conditions of the system could reach 1.2–5.5% depending on the power output range. To verify the optimization results, the optimal operating conditions were applied to the fuel cell system, and the measured results were compared with the expected optimal values. The discrepancies between the measured and expected values were found to be trivial, indicating that the proposed operation optimization method was quite successful for a substantial increase in the efficiency of the fuel cell system.

  10. An Efficient Solid-phase Parallel Synthesis of 2-Amino and 2-Amidobenzo[d]oxazole Derivatives via Cyclization Reactions of 2-Hydroxyphenylthiourea Resin

    International Nuclear Information System (INIS)

    Jung, Selin; Kim, Seulgi; Lee, Geehyung; Gong, Youngdae

    2012-01-01

    An efficient solid-phase methodology has been developed for the synthesis of 2-amino and 2-amidobenzo[d]-oxazole derivatives. The key step in this procedure involves the preparation of polymer-bound 2-aminobenzo-[d]oxazole resins 4 by cyclization reaction of 2-hydroxyphenylthiourea resin 3. The resin-bound 2-hydroxy-phenylthiourea 3 is produced by the addition of 2-aminophenol to the isothiocyanate-terminated resin 2 and serve as a key intermediate for the linker resin. This core skeleton 2-aminobenzo[d]oxazole resin 4 undergoes functionalization reaction with various electrophiles, such as alkylhalides and acid chlorides to generate 2-amino and 2-amidobenzo[d]oxazole resins 5 and 6 respectively. Finally, 2-amino and 2-amidobenzo[d]oxazole derivatives 7 and 8 are then generated in good yields and purities by cleavage of the respective resins 5 and 6 under trifluoroacetic acid (TFA) in dichloromethane (CH 2 Cl 2 )

  11. Realworld maximum power point tracking simulation of PV system based on Fuzzy Logic control

    Directory of Open Access Journals (Sweden)

    Ahmed M. Othman

    2012-12-01

    Full Text Available In the recent years, the solar energy becomes one of the most important alternative sources of electric energy, so it is important to improve the efficiency and reliability of the photovoltaic (PV systems. Maximum power point tracking (MPPT plays an important role in photovoltaic power systems because it maximize the power output from a PV system for a given set of conditions, and therefore maximize their array efficiency. This paper presents a maximum power point tracker (MPPT using Fuzzy Logic theory for a PV system. The work is focused on the well known Perturb and Observe (P&O algorithm and is compared to a designed fuzzy logic controller (FLC. The simulation work dealing with MPPT controller; a DC/DC Ćuk converter feeding a load is achieved. The results showed that the proposed Fuzzy Logic MPPT in the PV system is valid.

  12. The Economic Efficiency of Financial Markets

    Science.gov (United States)

    Wang, Yougui

    In this paper, we investigate the economic efficiency of markets and specify its applicability to financial markets. The statistical expressions of supply and demand of a market are formulated in terms of willingness prices. By introducing probability of realized exchange, we also formulate the realized market surplus. It can be proved that only when the market is in equilibrium the realized surplus can reach its maximum value. The market efficiency can be measured by the ratio of realized surplus to its maximum value. For a financial market, the market participants are composed of two groups: producers and speculators. The former brings the surplus into the market and the latter provides liquidity to make them realized.

  13. Bimetallic NiFe2O4 synthesized via confined carburization in NiFe-MOFs for efficient oxygen evolution reaction

    Science.gov (United States)

    Fang, Zhiqiang; Hao, Zhaomin; Dong, Qingsong; Cui, Yong

    2018-04-01

    Transition metal oxides that derived from metal-organic framework (MOF) precursor have intensively received attention because of their numerous electrochemical applications. Bimetallic Ni-Fe oxides have been rarely reported on the basis of MOF-related strategy. Herein, a bimetallic NiFe2O4 was successfully synthesized via confined carburization in NiFe-MOF precursors and characterized by XRD, XPS, SEM, and TEM. After conducting an investigation of oxygen evolution reaction (OER), the as-synthesized NiFe2O4 material exhibited good catalytic efficiency and high stability and durability in alkaline media. The as-synthesized NiFe2O4 material would promote the development of MOFs in non-noble-metal OER catalyst.

  14. Determination of the neutron detection efficiency of an NE213 scintillator for En=2.5 to 16 MeV using the 2H(d,n)3He reaction

    International Nuclear Information System (INIS)

    Al-Ohali, M.A.; Aksoy, A.; Coban, A.

    1997-01-01

    The absolute efficiency of an NE213 liquid scintillator of 12.7 cm diameter and 5.08 cm thickness was measured in the neutron energy range 2.5-16 MeV using the 2 H(d,n) 3 He reaction as a source of monoenergetic neutrons. The efficiencies were measured at the time-of-flight facility of Triangle Universities Nuclear Laboratory TUNL. The experimental data are compared to calculations from the Monte Carlo code NEFF of Physikalisch-Technische Bundesanstalt, Braunschweig, Germany PTB. (orig.)

  15. Exact parallel maximum clique algorithm for general and protein graphs.

    Science.gov (United States)

    Depolli, Matjaž; Konc, Janez; Rozman, Kati; Trobec, Roman; Janežič, Dušanka

    2013-09-23

    A new exact parallel maximum clique algorithm MaxCliquePara, which finds the maximum clique (the fully connected subgraph) in undirected general and protein graphs, is presented. First, a new branch and bound algorithm for finding a maximum clique on a single computer core, which builds on ideas presented in two published state of the art sequential algorithms is implemented. The new sequential MaxCliqueSeq algorithm is faster than the reference algorithms on both DIMACS benchmark graphs as well as on protein-derived product graphs used for protein structural comparisons. Next, the MaxCliqueSeq algorithm is parallelized by splitting the branch-and-bound search tree to multiple cores, resulting in MaxCliquePara algorithm. The ability to exploit all cores efficiently makes the new parallel MaxCliquePara algorithm markedly superior to other tested algorithms. On a 12-core computer, the parallelization provides up to 2 orders of magnitude faster execution on the large DIMACS benchmark graphs and up to an order of magnitude faster execution on protein product graphs. The algorithms are freely accessible on http://commsys.ijs.si/~matjaz/maxclique.

  16. A novel maximum power point tracking method for PV systems using fuzzy cognitive networks (FCN)

    Energy Technology Data Exchange (ETDEWEB)

    Karlis, A.D. [Electrical Machines Laboratory, Department of Electrical & amp; Computer Engineering, Democritus University of Thrace, V. Sofias 12, 67100 Xanthi (Greece); Kottas, T.L.; Boutalis, Y.S. [Automatic Control Systems Laboratory, Department of Electrical & amp; Computer Engineering, Democritus University of Thrace, V. Sofias 12, 67100 Xanthi (Greece)

    2007-03-15

    Maximum power point trackers (MPPTs) play an important role in photovoltaic (PV) power systems because they maximize the power output from a PV system for a given set of conditions, and therefore maximize the array efficiency. This paper presents a novel MPPT method based on fuzzy cognitive networks (FCN). The new method gives a good maximum power operation of any PV array under different conditions such as changing insolation and temperature. The numerical results show the effectiveness of the proposed algorithm. (author)

  17. A novel algorithm for single-axis maximum power generation sun trackers

    International Nuclear Information System (INIS)

    Lee, Kung-Yen; Chung, Chi-Yao; Huang, Bin-Juine; Kuo, Ting-Jung; Yang, Huang-Wei; Cheng, Hung-Yen; Hsu, Po-Chien; Li, Kang

    2017-01-01

    Highlights: • A novel algorithm for a single-axis sun tracker is developed to increase the efficiency. • Photovoltaic module is rotated to find the optimal angle for generating the maximum power. • Electric energy increases up to 8.3%, compared with that of the tracker with three fixed angles. • The rotation range is optimized to reduce energy consumption from the rotation operations. - Abstract: The purpose of this study is to develop a novel algorithm for a single-axis maximum power generation sun tracker in order to identify the optimal stopping angle for generating the maximum amount of daily electric energy. First, the photovoltaic modules of the single-axis maximum power generation sun tracker are automatically rotated from 50° east to 50° west. During the rotation, the instantaneous power generated at different angles is recorded and compared, meaning that the optimal angle for generating the maximum power can be determined. Once the rotation (detection) is completed, the photovoltaic modules are then rotated to the resulting angle for generating the maximum power. The photovoltaic module is rotated once per hour in an attempt to detect the maximum irradiation and overcome the impact of environmental effects such as shading from cloud cover, other photovoltaic modules and surrounding buildings. Furthermore, the detection range is halved so as to reduce the energy consumption from the rotation operations and to improve the reliability of the sun tracker. The results indicate that electric energy production is increased by 3.4% in spring and autumn, 5.4% in summer, and 8.3% in winter, compared with that of the same sun tracker with three fixed angles of 50° east in the morning, 0° at noon and 50° west in the afternoon.

  18. Numerical thermal-hydraulics study on sodium-water reaction phenomena

    International Nuclear Information System (INIS)

    Takashi, Takata; Akira, Yamaguchi

    2003-01-01

    A new computational program SERAPHIM (Sodium-watEr Reaction Analysis: PHysics of Interdisciplinary Multi-phase flow) is developed to investigate the Sodium-Water Reaction (SWR) phenomena based on parallel computation technology. A compressible three-fluid (liquid water, liquid sodium and mixture gas) and one-pressure model is adopted for multi-phase calculation. The Highly Simplified Maker And Cell (HSMAC) method considering with compressibility is implemented as the numerical solution. The Message-Passing Interface (MPI) is used for the parallel computation. Two types of reactions are considered for the SWR modeling; one is a surface reaction and the other is a gas phase reaction. The surface reaction model assumes that liquid sodium reacts with water vapor on the surface of liquid sodium. An analogy of heat transfer and mass transfer is applied in this model. Reaction heating vaporizes liquid sodium resulting in the gas phase reaction. The ab initio molecular orbital method is applied to investigate the reaction mechanism and evaluate the reaction rate described by the Arrhenius law. A performance of parallel computation is tested on the cluster-PC (16 CPUs) system. The execution time becomes 17.1 times faster in case of 16 CPUs. It seems promising that the SERAPHIM code is practicable for large-scale analysis of the SWR phenomena. Three-dimensional SWR analyses are also carried out to investigate the characteristics of the thermal-hydraulics with the SWR and an influence of initial pressure (0.2 MPa and 0.6 MPa) on an early stage of the SWR phenomenon. As a result, distribution of a gas region, in which water vapor or product of the SWR such as hydrogen and sodium hydroxide exits, velocity and high temperature region differs by 0.2 MPa and 0.6 MPa conditions. However, the maximum gas temperature has an upper bounding and is almost constant both in the analyses. The reason of the upper bounding is attributed to the fact that a hydrogen gas covers up a liquid

  19. Normalized patellofemoral joint reaction force is greater in individuals with patellofemoral pain.

    Science.gov (United States)

    Thomeer, Lucas T; Sheehan, Frances T; Jackson, Jennifer N

    2017-07-26

    Patellofemoral pain is a disabling, highly prevalent pathology. Altered patellofemoral contact forces are theorized to contribute to this pain. Musculoskeletal modeling has been employed to better understand the etiology of patellofemoral pain. Currently, there are no data on the effective quadriceps moment arm for individuals with patellofemoral pain, forcing researchers to apply normative values when modeling such individuals. In addition, the ratio of patellofemoral reaction force to quadriceps force is often used as a surrogate for patellofemoral joint contact force, ignoring the fact that the quadriceps efficiency can vary with pathology and intervention. Thus, the purposes of this study were to: (1) quantify the effective quadriceps moment arm in individuals with patellofemoral pain and compare this value to a control cohort and (2) develop a novel methodology for quantifying the normalized patellofemoral joint reaction force in vivo during dynamic activities. Dynamic MR data were captured as subjects with patellofemoral pain (30F/3M) cyclically flexed their knee from 10° to 40°. Data for control subjects (29F/9M) were taken from a previous study. The moment arm data acquired across a large cohort of individuals with patellofemoral pain should help advance musculoskeletal modeling. The primary finding of this study was an increased mean normalized patellofemoral reaction force of 14.9% (maximum values at a knee angle of 10°) in individuals with patellofemoral pain. Understanding changes in the normalized patellofemoral reaction force with pathology may lead to improvements in clinical decision making, and consequently treatments, by providing a more direct measure of altered patellofemoral joint forces. Copyright © 2017. Published by Elsevier Ltd.

  20. Wave Packet Based Statistical Approach to Complex-Forming Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Hua [Univ. of New Mexico, Albuquerque, NM (United States). Dept. of Chemistry and Chemical Biology

    2017-12-06

    Combustion represents a key chemical process in energy consumption in modern societies and a clear and comprehensive understanding of the elemental reactions in combustion is of great importance to a number of challenging areas such as engine efficiency and environmental protection. In this award, we proposed to develop new theoretical tools to understand elemental chemical processes in combustion environments. With the support of this DOE grant, we have made significant advances in developing new and more efficient and accurate algorithms to characterize reaction dynamics.

  1. A Simple Checking Algorithm with Perturb and Observe Maximum Power Point Tracking for Partially Shaded Photovoltaic System

    Directory of Open Access Journals (Sweden)

    Rozana Alik

    2016-03-01

    Full Text Available This paper presents a simple checking algorithm for maximum power point tracking (MPPT technique for Photovoltaic (PV system using Perturb and Observe (P&O algorithm. The main benefit of this checking algorithm is the simplicity and efficiency of the system whose duty cycle produced by the MPPT is smoother and changes faster according to maximum power point (MPP. This checking algorithm can determine the maximum power first before the P&O algorithm takes place to identify the voltage at MPP (VMPP, which is needed to calculate the duty cycle for the boost converter. To test the effectiveness of the algorithm, a simulation model of PV system has been carried out using MATLAB/Simulink under different level of irradiation; or in other words partially shaded condition of PV array. The results from the system using the proposed approach prove to have faster response and low ripple. Besides, the results are close to the desired outputs and exhibit an approximately 98.25% of the system efficiency. On the other hand, the system with conventional P&O MPPT seems to be unstable and has higher percentage of error. In summary, the proposed method is useful under varying level of irradiation with higher efficiency of the system.

  2. Short-time maximum entropy method analysis of molecular dynamics simulation: Unimolecular decomposition of formic acid

    Science.gov (United States)

    Takahashi, Osamu; Nomura, Tetsuo; Tabayashi, Kiyohiko; Yamasaki, Katsuyoshi

    2008-07-01

    We performed spectral analysis by using the maximum entropy method instead of the traditional Fourier transform technique to investigate the short-time behavior in molecular systems, such as the energy transfer between vibrational modes and chemical reactions. This procedure was applied to direct ab initio molecular dynamics calculations for the decomposition of formic acid. More reactive trajectories of dehydrolation than those of decarboxylation were obtained for Z-formic acid, which was consistent with the prediction of previous theoretical and experimental studies. Short-time maximum entropy method analyses were performed for typical reactive and non-reactive trajectories. Spectrograms of a reactive trajectory were obtained; these clearly showed the reactant, transient, and product regions, especially for the dehydrolation path.

  3. An investigation of nuclear critical opalescence with photopion reactions

    International Nuclear Information System (INIS)

    Delorme, J.

    1981-01-01

    It is shown that photopion reactions on nuclei provide a direct probe of the enhancement of the virtual pion field (critical opalescence) which has been invoked to explain anomalies in 1p-shell magnetic form factors. The experimental conditions for maximum sensitivity are discussed. (author)

  4. Maximum Power Point Tracking (MPPT Pada Sistem Pembangkit Listrik Tenaga Angin Menggunakan Buck-Boost Converter

    Directory of Open Access Journals (Sweden)

    Muhamad Otong

    2017-05-01

    Full Text Available In this paper, the implementation of the Maximum Power Point Tracking (MPPT technique is developed using buck-boost converter. Perturb and observe (P&O MPPT algorithm is used to searching maximum power from the wind power plant for charging of the battery. The model used in this study is the Variable Speed Wind Turbine (VSWT with a Permanent Magnet Synchronous Generator (PMSG. Analysis, design, and modeling of wind energy conversion system has done using MATLAB/simulink. The simulation results show that the proposed MPPT produce a higher output power than the system without MPPT. The average efficiency that can be achieved by the proposed system to transfer the maximum power into battery is 90.56%.

  5. Development of an Intelligent Maximum Power Point Tracker Using an Advanced PV System Test Platform

    DEFF Research Database (Denmark)

    Spataru, Sergiu; Amoiridis, Anastasios; Beres, Remus Narcis

    2013-01-01

    The performance of photovoltaic systems is often reduced by the presence of partial shadows. The system efficiency and availability can be improved by a maximum power point tracking algorithm that is able to detect partial shadow conditions and to optimize the power output. This work proposes...... an intelligent maximum power point tracking method that monitors the maximum power point voltage and triggers a current-voltage sweep only when a partial shadow is detected, therefore minimizing power loss due to repeated current-voltage sweeps. The proposed system is validated on an advanced, flexible...... photovoltaic inverter system test platform that is able to reproduce realistic partial shadow conditions, both in simulation and on hardware test system....

  6. Manganese dioxide-supported silver bismuthate as an efficient electrocatalyst for oxygen reduction reaction in zinc-oxygen batteries

    International Nuclear Information System (INIS)

    Sun, Yanzhi; Yang, Meng; Pan, Junqing; Wang, Pingyuan; Li, Wei; Wan, Pingyu

    2016-01-01

    In this paper, we present a new efficient composite electrocatalyst, manganese dioxide-supported silver bismuthate (Ag 4 Bi 2 O 5 /MnO 2 ), for oxygen reduction reaction (ORR) in alkaline media. The new electrocatalyst was characterized with scanning electron microscope (SEM), powder X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). Electrochemical measurements indicate that the Ag 4 Bi 2 O 5 /MnO 2 composite is a very efficient electrocatalyst for ORR in alkaline media. The physical and electrochemical characterization results suggest that the high activity is ascribed to the support effects from MnO 2 and the synergetic effects among Ag 4 Bi 2 O 5 and MnO 2 . The analysis of rotating disk electrode (RDE) results shows that the ORR occurs via a four-electron pathway on the surface of the Ag 4 Bi 2 O 5 /MnO 2 electrocatalyst. This electrocatalyst was further tested in a designed zinc–oxygen (Zn–O 2 ) battery. This battery can offer a discharge time of 225 h at 120 mA cm −2 , increasing by more than 492% as compared with pure MnO 2 electrocatalyst. It demonstrates that this inexpensive Ag 4 Bi 2 O 5 /MnO 2 electrocatalyst is a viable alternative to platinum electrocatalyst for energy conversion devices.

  7. Multiple regression models for the prediction of the maximum obtainable thermal efficiency of organic Rankine cycles

    DEFF Research Database (Denmark)

    Larsen, Ulrik; Pierobon, Leonardo; Wronski, Jorrit

    2014-01-01

    Much attention is focused on increasing the energy efficiency to decrease fuel costs and CO2 emissions throughout industrial sectors. The ORC (organic Rankine cycle) is a relatively simple but efficient process that can be used for this purpose by converting low and medium temperature waste heat ...

  8. Quantum Coherent Three-Terminal Thermoelectrics: Maximum Efficiency at Given Power Output

    Directory of Open Access Journals (Sweden)

    Robert S. Whitney

    2016-05-01

    Full Text Available This work considers the nonlinear scattering theory for three-terminal thermoelectric devices used for power generation or refrigeration. Such systems are quantum phase-coherent versions of a thermocouple, and the theory applies to systems in which interactions can be treated at a mean-field level. It considers an arbitrary three-terminal system in any external magnetic field, including systems with broken time-reversal symmetry, such as chiral thermoelectrics, as well as systems in which the magnetic field plays no role. It is shown that the upper bound on efficiency at given power output is of quantum origin and is stricter than Carnot’s bound. The bound is exactly the same as previously found for two-terminal devices and can be achieved by three-terminal systems with or without broken time-reversal symmetry, i.e., chiral and non-chiral thermoelectrics.

  9. Efficient transfer hydrogenation reaction Catalyzed by a dearomatized PN 3P ruthenium pincer complex under base-free Conditions

    KAUST Repository

    He, Lipeng

    2012-03-01

    A dearomatized complex [RuH(PN 3P)(CO)] (PN 3PN, N′-bis(di-tert-butylphosphino)-2,6-diaminopyridine) (3) was prepared by reaction of the aromatic complex [RuH(Cl)(PN 3P)(CO)] (2) with t-BuOK in THF. Further treatment of 3 with formic acid led to the formation of a rearomatized complex (4). These new complexes were fully characterized and the molecular structure of complex 4 was further confirmed by X-ray crystallography. In complex 4, a distorted square-pyramidal geometry around the ruthenium center was observed, with the CO ligand trans to the pyridinic nitrogen atom and the hydride located in the apical position. The dearomatized complex 3 displays efficient catalytic activity for hydrogen transfer of ketones in isopropanol. © 2011 Elsevier B.V. All rights reserved.

  10. Thermal runaway reaction hazards and mechanisms of hydroxylamine with acid/base contaminants

    International Nuclear Information System (INIS)

    Wei Chunyang; Saraf, Sanjeev R.; Rogers, William J.; Sam Mannan, M.

    2004-01-01

    Hydroxylamine (HA) has been involved in two incidents since 1999 because of its thermal instability and incompatibility. In this study, thermal runaway reactions of hydroxylamine with various concentrations of KOH and HCl were studied using the reactive system screening tool (RSST) and automatic pressure tracking adiabatic calorimeter (APTAC). The thermokinetic data, such as onset temperature, heat of reaction, maximum self-heat rate, maximum pressure rate, and non-condensable gas pressure, were compared with those of hydroxylamine solution without added impurity. Our study shows that the thermal decomposition behavior of hydroxylamine is affected by the presence of acid/base, and mixing of hydroxylamine with acid/base may cause thermal decomposition at lower temperatures. Different decomposition pathways can be initiated by hydrogen ion and hydroxide ion. The decomposition mechanisms of hydroxylamine in alkaline and acidic solutions are proposed based on the products, information from the literature, and quantum mechanical calculations. The experimental results are discussed in terms of the proposed reaction mechanisms

  11. Efficient and Adaptive Methods for Computing Accurate Potential Surfaces for Quantum Nuclear Effects: Applications to Hydrogen-Transfer Reactions.

    Science.gov (United States)

    DeGregorio, Nicole; Iyengar, Srinivasan S

    2018-01-09

    We present two sampling measures to gauge critical regions of potential energy surfaces. These sampling measures employ (a) the instantaneous quantum wavepacket density, an approximation to the (b) potential surface, its (c) gradients, and (d) a Shannon information theory based expression that estimates the local entropy associated with the quantum wavepacket. These four criteria together enable a directed sampling of potential surfaces that appears to correctly describe the local oscillation frequencies, or the local Nyquist frequency, of a potential surface. The sampling functions are then utilized to derive a tessellation scheme that discretizes the multidimensional space to enable efficient sampling of potential surfaces. The sampled potential surface is then combined with four different interpolation procedures, namely, (a) local Hermite curve interpolation, (b) low-pass filtered Lagrange interpolation, (c) the monomial symmetrization approximation (MSA) developed by Bowman and co-workers, and (d) a modified Shepard algorithm. The sampling procedure and the fitting schemes are used to compute (a) potential surfaces in highly anharmonic hydrogen-bonded systems and (b) study hydrogen-transfer reactions in biogenic volatile organic compounds (isoprene) where the transferring hydrogen atom is found to demonstrate critical quantum nuclear effects. In the case of isoprene, the algorithm discussed here is used to derive multidimensional potential surfaces along a hydrogen-transfer reaction path to gauge the effect of quantum-nuclear degrees of freedom on the hydrogen-transfer process. Based on the decreased computational effort, facilitated by the optimal sampling of the potential surfaces through the use of sampling functions discussed here, and the accuracy of the associated potential surfaces, we believe the method will find great utility in the study of quantum nuclear dynamics problems, of which application to hydrogen-transfer reactions and hydrogen

  12. Direct synthesis of bimetallic PtCo mesoporous nanospheres as efficient bifunctional electrocatalysts for both oxygen reduction reaction and methanol oxidation reaction

    Science.gov (United States)

    Wang, Hongjing; Yu, Hongjie; Li, Yinghao; Yin, Shuli; Xue, Hairong; Li, Xiaonian; Xu, You; Wang, Liang

    2018-04-01

    The engineering of electrocatalysts with high performance for cathodic and/or anodic catalytic reactions is of great urgency for the development of direct methanol fuel cells. Pt-based bimetallic alloys have recently received considerable attention in the field of fuel cells because of their superior catalytic performance towards both fuel molecule electro-oxidation and oxygen reduction. In this work, bimetallic PtCo mesoporous nanospheres (PtCo MNs) with uniform size and morphology have been prepared by a one-step method with a high yield. The as-made PtCo MNs show superior catalytic activities for both oxygen reduction reaction and methanol oxidation reaction relative to Pt MNs and commercial Pt/C catalyst, attributed to their mesoporous structure and bimetallic composition.

  13. Ruthenium nanocatalysis on redox reactions.

    Science.gov (United States)

    Veerakumar, Pitchaimani; Ramdass, Arumugam; Rajagopal, Seenivasan

    2013-07-01

    Nanoparticles have generated intense interest over the past 20 years due to their high potential applications in different areas such as catalysis, sensors, nanoscale electronics, fuel and solar cells and optoelectronics. As the large fractions of metal atoms are exposed to the surface, the use of metal nanoparticles as nanocatalysts allows mild reaction conditions and high catalytic efficiency in a large number of chemical transformations. They have emerged as sustainable heterogeneous catalysts and catalyst supports alternative to conventional materials. This review focuses on the synthesis, characterization and catalytic role of ruthenium nanoparticles (RuNPs) on the redox reactions of heteroatom containing organic compounds with the green reagent H2O2, a field that has attracted immense interest among the chemical, materials and industrial communities. We intend to present a broad overview of Ru nanocatalysts for redox reactions with an emphasis on their performance, stability and reusability. The growth in the chemistry of organic sulfoxides and N-oxides during last decade was due to their importance as synthetic intermediates for the production of a wide range of chemically and biologically active molecules. Thus design of efficient methods for the synthesis of sulfoxides and N-oxides becomes important. This review concentrates on the catalysis of RuNPs on the H2O2 oxidation of organic sulfides to sulfoxides and amines to N-oxides. The deoxygenation reactions of sulfoxides to sulfides and reduction of nitro compounds to amines are fundamental reactions in both chemistry and biology. Here, we also highlight the catalysis of metal nanoparticles on the deoxygenation of sulfoxides and sulfones and reduction of nitro compounds with particular emphasis on the mechanistic aspects.

  14. Optical Excitation of Carbon Nanotubes Drives Localized Diazonium Reactions

    Science.gov (United States)

    2016-01-01

    Covalent chemistries have been widely used to modify carbon nanomaterials; however, they typically lack the precision and efficiency required to directly engineer their optical and electronic properties. Here, we show, for the first time, that visible light which is tuned into resonance with carbon nanotubes can be used to drive their functionalization by aryldiazonium salts. The optical excitation accelerates the reaction rate 154-fold (±13) and makes it possible to significantly improve the efficiency of covalent bonding to the sp2 carbon lattice. Control experiments suggest that the reaction is dominated by a localized photothermal effect. This light-driven reaction paves the way for precise nanochemistry that can directly tailor carbon nanomaterials at the optical and electronic levels. PMID:27588432

  15. Shape optimization for aerodynamic efficiency and low observability

    Science.gov (United States)

    Vinh, Hoang; Van Dam, C. P.; Dwyer, Harry A.

    1993-01-01

    Field methods based on the finite-difference approximations of the time-domain Maxwell's equations and the potential-flow equation have been developed to solve the multidisciplinary problem of airfoil shaping for aerodynamic efficiency and low radar cross section (RCS). A parametric study and an optimization study employing the two analysis methods are presented to illustrate their combined capabilities. The parametric study shows that for frontal radar illumination, the RCS of an airfoil is independent of the chordwise location of maximum thickness but depends strongly on the maximum thickness, leading-edge radius, and leadingedge shape. In addition, this study shows that the RCS of an airfoil can be reduced without significant effects on its transonic aerodynamic efficiency by reducing the leading-edge radius and/or modifying the shape of the leading edge. The optimization study involves the minimization of wave drag for a non-lifting, symmetrical airfoil with constraints on the airfoil maximum thickness and monostatic RCS. This optimization study shows that the two analysis methods can be used effectively to design aerodynamically efficient airfoils with certain desired RCS characteristics.

  16. Influence of Reaction Conditions on Lignin Hydrothermal Treatment

    Energy Technology Data Exchange (ETDEWEB)

    Erdocia, Xabier; Prado, Raquel; Corcuera, M. Ángeles; Labidi, Jalel, E-mail: jalel.labidi@ehu.es [Chemical and Environmental Engineering Department, University of the Basque Country, San Seabastian (Spain)

    2014-04-01

    Organosolv lignin, obtained from olive tree pruning under optimized conditions, was subjected to a hydrothermal depolymerization process catalyzed by sodium hydroxide. The depolymerization of lignin was carried out at 300°C using different reaction times (20, 40, 60, 70, 80, 90, and 100 min) in order to study the influence of this parameter on lignin depolymerization. The resulting products (oil and residual lignin) were measured and analyzed by different techniques (GC/MS, high-performance size-exclusion chromatography, and pyrolysis–GC/MS) in order to determine their nature and composition. Coke was also formed, at a lower quantity, uncompetitive repolymerization reactions during the lignin hydrothermal treatment. The maximum oil yield and concentration of monomeric phenolic compounds was obtained after 80 min of reaction time. The highest reaction time studied (100 min) had the worst results with the lowest oil yield and highest coke production.

  17. Palladium(II/Cationic 2,2’-Bipyridyl System as a Highly Efficient and Reusable Catalyst for the Mizoroki-Heck Reaction in Water

    Directory of Open Access Journals (Sweden)

    Fu-Yu Tsai

    2010-01-01

    Full Text Available A water-soluble and air-stable Pd(NH32Cl2/cationic 2,2’-bipyridyl system was found to be a highly-efficient and reusable catalyst for the coupling of aryl iodides and alkenes in neat water using Bu3N as a base. The reaction was conducted at 140 °C in a sealed tube in air with a catalyst loading as low as 0.0001 mol % for the coupling of activated aryl iodides with butyl and ethyl acrylates, providing the corresponding products in good to excellent yields with very high turnover numbers. In the case of styrene, Mizoroki-Heck coupling products were obtained in good to high yields by using a greater catalyst loading (1 mol % and TBAB as a phase-transfer agent. After extraction, the residual aqueous solution could be reused several times with only a slight decrease in its activity, making the Mizoroki-Heck reaction “greener”.

  18. Production of mullite-zirconia ceramics composites by 'In situ' reaction

    International Nuclear Information System (INIS)

    Melo, F.C.L. de; Cairo, C.A.A.; Piorino Neto, F.; Devezas, T.C.

    1987-01-01

    Mullita-zirconia ceramic composites were produced by 'In situ' reaction of alumina and brazilian zircon. The ideal curve of thermal treatment (reaction + sinterization) was determined for the obtention of composites of maximum mechanical resistence. The retained fraction of tetragonal fase was evaluated by X-ray difraction and correlated with the values of mechanical resistence obtained by different treatment curves. The performance of the developed composites under corrosion and thermal shock was evaluated by glass casting. (Author) [pt

  19. The Design of High Efficiency Crossflow Hydro Turbines: A Review and Extension

    Directory of Open Access Journals (Sweden)

    Ram Adhikari

    2018-01-01

    Full Text Available Efficiency is a critical consideration in the design of hydro turbines. The crossflow turbine is the cheapest and easiest hydro turbine to manufacture and so is commonly used in remote power systems for developing countries. A longstanding problem for practical crossflow turbines is their lower maximum efficiency compared to their more advanced counterparts, such as Pelton and Francis turbines. This paper reviews the experimental and computational studies relevant to the design of high efficiency crossflow turbines. We concentrate on the studies that have contributed to designs with efficiencies in the range of 88–90%. Many recent studies have been conducted on turbines of low maximum efficiency, which we believe is due to misunderstanding of design principles for achieving high efficiencies. We synthesize the key results of experimental and computational fluid dynamics studies to highlight the key fundamental design principles for achieving efficiencies of about 90%, as well as future research and development areas to further improve the maximum efficiency. The main finding of this review is that the total conversion of head into kinetic energy in the nozzle and the matching of nozzle and runner designs are the two main design requirements for the design of high efficiency turbines.

  20. Including lateral interactions into microkinetic models of catalytic reactions

    DEFF Research Database (Denmark)

    Hellman, Anders; Honkala, Johanna Karoliina

    2007-01-01

    In many catalytic reactions lateral interactions between adsorbates are believed to have a strong influence on the reaction rates. We apply a microkinetic model to explore the effect of lateral interactions and how to efficiently take them into account in a simple catalytic reaction. Three differ...... different approximations are investigated: site, mean-field, and quasichemical approximations. The obtained results are compared to accurate Monte Carlo numbers. In the end, we apply the approximations to a real catalytic reaction, namely, ammonia synthesis....

  1. The Data-Constrained Generalized Maximum Entropy Estimator of the GLM: Asymptotic Theory and Inference

    Directory of Open Access Journals (Sweden)

    Nicholas Scott Cardell

    2013-05-01

    Full Text Available Maximum entropy methods of parameter estimation are appealing because they impose no additional structure on the data, other than that explicitly assumed by the analyst. In this paper we prove that the data constrained GME estimator of the general linear model is consistent and asymptotically normal. The approach we take in establishing the asymptotic properties concomitantly identifies a new computationally efficient method for calculating GME estimates. Formulae are developed to compute asymptotic variances and to perform Wald, likelihood ratio, and Lagrangian multiplier statistical tests on model parameters. Monte Carlo simulations are provided to assess the performance of the GME estimator in both large and small sample situations. Furthermore, we extend our results to maximum cross-entropy estimators and indicate a variant of the GME estimator that is unbiased. Finally, we discuss the relationship of GME estimators to Bayesian estimators, pointing out the conditions under which an unbiased GME estimator would be efficient.

  2. Cosmic shear measurement with maximum likelihood and maximum a posteriori inference

    Science.gov (United States)

    Hall, Alex; Taylor, Andy

    2017-06-01

    We investigate the problem of noise bias in maximum likelihood and maximum a posteriori estimators for cosmic shear. We derive the leading and next-to-leading order biases and compute them in the context of galaxy ellipticity measurements, extending previous work on maximum likelihood inference for weak lensing. We show that a large part of the bias on these point estimators can be removed using information already contained in the likelihood when a galaxy model is specified, without the need for external calibration. We test these bias-corrected estimators on simulated galaxy images similar to those expected from planned space-based weak lensing surveys, with promising results. We find that the introduction of an intrinsic shape prior can help with mitigation of noise bias, such that the maximum a posteriori estimate can be made less biased than the maximum likelihood estimate. Second-order terms offer a check on the convergence of the estimators, but are largely subdominant. We show how biases propagate to shear estimates, demonstrating in our simple set-up that shear biases can be reduced by orders of magnitude and potentially to within the requirements of planned space-based surveys at mild signal-to-noise ratio. We find that second-order terms can exhibit significant cancellations at low signal-to-noise ratio when Gaussian noise is assumed, which has implications for inferring the performance of shear-measurement algorithms from simplified simulations. We discuss the viability of our point estimators as tools for lensing inference, arguing that they allow for the robust measurement of ellipticity and shear.

  3. A novel high efficiency solar photovoltalic pump

    NARCIS (Netherlands)

    Diepens, J.F.L.; Smulders, P.T.; Vries, de D.A.

    1993-01-01

    The daily average overall efficiency of a solar pump system is not only influenced by the maximum efficiency of the components of the system, but just as much by the correct matching of the components to the local irradiation pattern. Normally centrifugal pumps are used in solar pump systems. The

  4. Mild and Efficient Nickel-Catalyzed Heck Reactions with Electron-Rich Olefins

    DEFF Research Database (Denmark)

    Gøgsig, Thomas; Kleimark, Jonatan; Lill, Sten O. Nilsson

    2012-01-01

    proved compatible, and the corresponding aryl methyl ketone could be secured after hydrolysis in yields approaching quantitative. Good functional group tolerance was observed matching the characteristics of the analogous Pd-catalyzed Heck reaction. The high levels of catalytic activity were explained...

  5. Alpha-particle energy spectra measured at forward angles in heavy-ion-induced reactions

    International Nuclear Information System (INIS)

    Borcea, C.; Cierlic, E.; Kalpakchieva, R.; Oganessian, Yu.Ts.; Penionzhkevich, Yu.E.

    1980-01-01

    Energy spectra have been measured for α-particles emitted in the bombardment of 159 Tb, 181 Ta, 197 Au, and 232 Th nuclei by 20 Ne, 22 Ne, and 40 Ar projectiles. The reaction products emitted in the angular range (0+-2)deg relative to the beam direction were analyzed using a magnetic spectrometer and detected by means of a semiconductor ΔE-E telescope. It was found that in all cases the experimentally measured maximum α-particle energy almost amounts to the maximum possible value calculated from the reaction energy balance for a two-body exit channel. A correlation was found between the measured absolute cross section in different target-projectile combinations and the α-particle binding energy in the target nuclei. On the basis of the obtained results a conclusion has been drawn that the α-particles are emitted in the early stage of the reaction

  6. The hexadehydro-Diels-Alder reaction.

    Science.gov (United States)

    Hoye, Thomas R; Baire, Beeraiah; Niu, Dawen; Willoughby, Patrick H; Woods, Brian P

    2012-10-11

    Arynes (aromatic systems containing, formally, a carbon-carbon triple bond) are among the most versatile of all reactive intermediates in organic chemistry. They can be 'trapped' to give products that are used as pharmaceuticals, agrochemicals, dyes, polymers and other fine chemicals. Here we explore a strategy that unites the de novo generation of benzynes-through a hexadehydro-Diels-Alder reaction-with their in situ elaboration into structurally complex benzenoid products. In the hexadehydro-Diels-Alder reaction, a 1,3-diyne is engaged in a [4+2] cycloisomerization with a 'diynophile' to produce the highly reactive benzyne intermediate. The reaction conditions for this simple, thermal transformation are notable for being free of metals and reagents. The subsequent and highly efficient trapping reactions increase the power of the overall process. Finally, we provide examples of how this de novo benzyne generation approach allows new modes of intrinsic reactivity to be revealed.

  7. Estimation of parameter sensitivities for stochastic reaction networks

    KAUST Repository

    Gupta, Ankit

    2016-01-07

    Quantification of the effects of parameter uncertainty is an important and challenging problem in Systems Biology. We consider this problem in the context of stochastic models of biochemical reaction networks where the dynamics is described as a continuous-time Markov chain whose states represent the molecular counts of various species. For such models, effects of parameter uncertainty are often quantified by estimating the infinitesimal sensitivities of some observables with respect to model parameters. The aim of this talk is to present a holistic approach towards this problem of estimating parameter sensitivities for stochastic reaction networks. Our approach is based on a generic formula which allows us to construct efficient estimators for parameter sensitivity using simulations of the underlying model. We will discuss how novel simulation techniques, such as tau-leaping approximations, multi-level methods etc. can be easily integrated with our approach and how one can deal with stiff reaction networks where reactions span multiple time-scales. We will demonstrate the efficiency and applicability of our approach using many examples from the biological literature.

  8. [Development of boomerang-type intramolecular cascade reactions and application to natural product synthesis].

    Science.gov (United States)

    Takasu, K

    2001-12-01

    Intramolecular cascade reaction has received much attention as a powerful methodology to construct a polycyclic framework in organic synthesis. We have been developing "boomerang-type cascade reaction" to construct a variety of polycyclic skeletons efficiently. In the above reactions, a nucleophilic function of substrates changes the character into an electrophile after the initial reaction, and the electrophilic group acts as a nucleophile in the second reaction. That is, the reaction center stepwise moves from one functional group back to the same one via other functional groups. The stream of the electron concerning the cascade reaction is like a locus of boomerang. We show here three different boomerang-type reactions via ionic species or free radicals. 1) Diastereoselective Michael-aldol reaction based on the chiral auxiliary method and enantioselective Michael-aldol reaction by the use of external chiral sources. 2) Short and efficient total syntheses of longifolane sesquiterpenes utilizing intramolecular double Michael addition as a key step. 3) Development of boomerang-type radical cascade reaction of halopolyenes to construct terpenoid skeletons and its regioselectivity.

  9. Removal of triclosan via peroxidases-mediated reactions in water: Reaction kinetics, products and detoxification

    Energy Technology Data Exchange (ETDEWEB)

    Li, Jianhua; Peng, Jianbiao [State Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing 210023 (China); Zhang, Ya [Nanjing Institute of Environmental Sciences, Ministry of Environmental Protection of the People’s Republic of China, Nanjing 210042 (China); Ji, Yuefei [College of Resources and Environmental Science, Nanjing Agricultural University, Nanjing 210095 (China); Shi, Huanhuan; Mao, Liang [State Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing 210023 (China); Gao, Shixiang, E-mail: ecsxg@nju.edu.cn [State Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing 210023 (China)

    2016-06-05

    Highlights: • Enzymatic treatment of triclosan in water by soybean and horseradish peroxidases. • pH, H{sub 2}O{sub 2} concentration and enzyme dosage affected the removal efficiency of TCS. • The removal of TCS by SBP was more efficient than that of HRP. • K{sub CAT} and K{sub CAT}/K{sub M} values for SBP toward TCS were much higher than those for HRP. • Polymers formed via radical coupling mechanism were nontoxic to the growth of alga. - Abstract: This study investigated and compared reaction kinetics, product characterization, and toxicity variation of triclosan (TCS) removal mediated by soybean peroxidase (SBP), a recognized potential peroxidase for removing phenolic pollutants, and the commonly used horseradish peroxidase (HRP) with the goal of assessing the technical feasibility of SBP-catalyzed removal of TCS. Reaction conditions such as pH, H{sub 2}O{sub 2} concentration and enzyme dosage were found to have a strong influence on the removal efficiency of TCS. SBP can retain its catalytic ability to remove TCS over broad ranges of pH and H{sub 2}O{sub 2} concentration, while the optimal pH and H{sub 2}O{sub 2} concentration were 7.0 and 8 μM, respectively. 98% TCS was removed with only 0.1 U mL{sup −1} SBP in 30 min reaction time, while an HRP dose of 0.3 U mL{sup −1} was required to achieve the similar conversion. The catalytic performance of SBP towards TCS was more efficient than that of HRP, which can be explained by catalytic rate constant (K{sub CAT}) and catalytic efficiency (K{sub CAT}/K{sub M}) for the two enzymes. MS analysis in combination with quantum chemistry computation showed that the polymerization products were generated via C−C and C−O coupling pathways. The polymers were proved to be nontoxic through growth inhibition of green alga (Scenedesmus obliquus). Taking into consideration of the enzymatic treatment cost, SBP may be a better alternative to HRP upon the removal and detoxification of TCS in water

  10. Modeling of uncertainties in biochemical reactions.

    Science.gov (United States)

    Mišković, Ljubiša; Hatzimanikatis, Vassily

    2011-02-01

    Mathematical modeling is an indispensable tool for research and development in biotechnology and bioengineering. The formulation of kinetic models of biochemical networks depends on knowledge of the kinetic properties of the enzymes of the individual reactions. However, kinetic data acquired from experimental observations bring along uncertainties due to various experimental conditions and measurement methods. In this contribution, we propose a novel way to model the uncertainty in the enzyme kinetics and to predict quantitatively the responses of metabolic reactions to the changes in enzyme activities under uncertainty. The proposed methodology accounts explicitly for mechanistic properties of enzymes and physico-chemical and thermodynamic constraints, and is based on formalism from systems theory and metabolic control analysis. We achieve this by observing that kinetic responses of metabolic reactions depend: (i) on the distribution of the enzymes among their free form and all reactive states; (ii) on the equilibrium displacements of the overall reaction and that of the individual enzymatic steps; and (iii) on the net fluxes through the enzyme. Relying on this observation, we develop a novel, efficient Monte Carlo sampling procedure to generate all states within a metabolic reaction that satisfy imposed constrains. Thus, we derive the statistics of the expected responses of the metabolic reactions to changes in enzyme levels and activities, in the levels of metabolites, and in the values of the kinetic parameters. We present aspects of the proposed framework through an example of the fundamental three-step reversible enzymatic reaction mechanism. We demonstrate that the equilibrium displacements of the individual enzymatic steps have an important influence on kinetic responses of the enzyme. Furthermore, we derive the conditions that must be satisfied by a reversible three-step enzymatic reaction operating far away from the equilibrium in order to respond to

  11. Modeling chemical reactions for drug design.

    Science.gov (United States)

    Gasteiger, Johann

    2007-01-01

    Chemical reactions are involved at many stages of the drug design process. This starts with the analysis of biochemical pathways that are controlled by enzymes that might be downregulated in certain diseases. In the lead discovery and lead optimization process compounds have to be synthesized in order to test them for their biological activity. And finally, the metabolism of a drug has to be established. A better understanding of chemical reactions could strongly help in making the drug design process more efficient. We have developed methods for quantifying the concepts an organic chemist is using in rationalizing reaction mechanisms. These methods allow a comprehensive modeling of chemical reactivity and thus are applicable to a wide variety of chemical reactions, from gas phase reactions to biochemical pathways. They are empirical in nature and therefore allow the rapid processing of large sets of structures and reactions. We will show here how methods have been developed for the prediction of acidity values and of the regioselectivity in organic reactions, for designing the synthesis of organic molecules and of combinatorial libraries, and for furthering our understanding of enzyme-catalyzed reactions and of the metabolism of drugs.

  12. The Suzuki-Miyaura Cross-Coupling Reaction of Halogenated Aminopyrazoles: Method Development, Scope, and Mechanism of Dehalogenation Side Reaction.

    Science.gov (United States)

    Jedinák, Lukáš; Zátopková, Renáta; Zemánková, Hana; Šustková, Alena; Cankař, Petr

    2017-01-06

    The efficient Suzuki-Miyaura cross-coupling reaction of halogenated aminopyrazoles and their amides or ureas with a range of aryl, heteroaryl, and styryl boronic acids or esters has been developed. The method allowed incorporation of problematic substrates: aminopyrazoles bearing protected or unprotected pyrazole NH, as well as the free amino or N-amide group. Direct comparison of the chloro, bromo, and iodopyrazoles in the Suzuki-Miyaura reaction revealed that Br and Cl derivatives were superior to iodopyrazoles, as a result of reduced propensity to dehalogenation. Moreover, the mechanism and factors affecting the undesired dehalogenation side reaction were revealed.

  13. Maximum Power Point Tracking of Photovoltaic System for Traffic Light Application

    OpenAIRE

    Muhida, Riza; Mohamad, Nor Hilmi; Legowo, Ari; Irawan, Rudi; Astuti, Winda

    2013-01-01

    Photovoltaic traffic light system is a significant application of renewable energy source. The development of the system is an alternative effort of local authority to reduce expenditure for paying fees to power supplier which the power comes from conventional energy source. Since photovoltaic (PV) modules still have relatively low conversion efficiency, an alternative control of maximum power point tracking (MPPT) method is applied to the traffic light system. MPPT is intended to catch up th...

  14. Rate maximum calculation of Dpa in CNA-II pressure vessel

    International Nuclear Information System (INIS)

    Mascitti, J. A

    2012-01-01

    The maximum dpa rate was calculated for the reactor in the following state: fresh fuel, no Xenon, a Boron concentration of 15.3 ppm, critical state, its control rods in the criticality position, hot, at full power (2160 MW). It was determined that the maximum dpa rate under such conditions is 3.54(2)x10 12 s -1 and it is located in the positions corresponding to θ=210 o in the azimuthal direction, and z=20 cm and -60 cm respectively in the axial direction, considering the calculation mesh centered at half height of the fuel element (FE) active length. The dpa rate spectrum was determined as well as the contribution to it for 4 energy groups: a thermal group, two epithermal groups and a fast one. The maximum dpa rate considering the photo-neutrons production from (γ, n) reaction in the heavy water of coolant and moderator was 3.93(4)x10 12 s -1 that is 11% greater than the obtained without photo-neutrons. This verified significant difference between both cases, suggest that photo-neutrons in large heavy water reactors such as CNA-II should not be ignored. The maximum DPA rate in the first mm of the reactor pressure vessel was calculated too and it was obtained a value of 4.22(6)x10 12 s -1 . It should be added that the calculation was carried out with the reactor complete accurate model, with no approximations in spatial or energy variables. Each value has, between parentheses, a percentage relative error representing the statistical uncertainty due to the probabilistic Monte Carlo method used to estimate it. More representative values may be obtained with this method if equilibrium burn-up distribution is used (author)

  15. Simulation of biochemical reactions with time-dependent rates by the rejection-based algorithm

    Energy Technology Data Exchange (ETDEWEB)

    Thanh, Vo Hong, E-mail: vo@cosbi.eu [The Microsoft Research - University of Trento Centre for Computational and Systems Biology, Piazza Manifattura 1, Rovereto 38068 (Italy); Priami, Corrado, E-mail: priami@cosbi.eu [The Microsoft Research - University of Trento Centre for Computational and Systems Biology, Piazza Manifattura 1, Rovereto 38068 (Italy); Department of Mathematics, University of Trento, Trento (Italy)

    2015-08-07

    We address the problem of simulating biochemical reaction networks with time-dependent rates and propose a new algorithm based on our rejection-based stochastic simulation algorithm (RSSA) [Thanh et al., J. Chem. Phys. 141(13), 134116 (2014)]. The computation for selecting next reaction firings by our time-dependent RSSA (tRSSA) is computationally efficient. Furthermore, the generated trajectory is exact by exploiting the rejection-based mechanism. We benchmark tRSSA on different biological systems with varying forms of reaction rates to demonstrate its applicability and efficiency. We reveal that for nontrivial cases, the selection of reaction firings in existing algorithms introduces approximations because the integration of reaction rates is very computationally demanding and simplifying assumptions are introduced. The selection of the next reaction firing by our approach is easier while preserving the exactness.

  16. Efficiency of Aluminum and Iron Electrodes for the Removal of Heavy Metals [(Ni (II), Pb (II), Cd (II)] by Electrocoagulation Method

    Energy Technology Data Exchange (ETDEWEB)

    Khosa, Muhammad Kaleem; Jamal, Muhammad Asghar; Hussain, Amira; Muneer, Majid; Zia, Khalid Mahmood [Government College Univ., Faisalabad (Pakistan); Hafeez, Samia [Bahaud-din-Zakariya Univ., Multan (Pakistan)

    2013-06-15

    Electrocoagulation (EC) technique is applied for the treatment of wastewater containing heavy metals ions such as nickel (Ni), lead (Pb) and cadmium (Cd) by using sacrificial anodes corrode to release active coagulant flocs usually aluminium or iron cations into the solution. During electrolytic reactions hydrogen gas evolve at the cathode. All the experiments were carried out in Batch mode. The tank was filled with synthetic wastewater containing heavy metals and efficiency of electrocoagulation in combination with aluminum and iron electrodes were investigated for removal of such metals. Several parameters, such as contact time, pH, electro-coagulant concentration, and current density were optimized to achieve maximum removal efficiency (%). The concentrations of heavy metals were determined by using Atomic Absorption Spectroscopy (AAS). It is found that the electro-coagulation process has potential to be utilized for the cost-effective removal of heavy metals from wastewater specially using iron electrodes in terms of high removal efficiencies and operating cost.

  17. Efficiency of Aluminum and Iron Electrodes for the Removal of Heavy Metals [(Ni (II), Pb (II), Cd (II)] by Electrocoagulation Method

    International Nuclear Information System (INIS)

    Khosa, Muhammad Kaleem; Jamal, Muhammad Asghar; Hussain, Amira; Muneer, Majid; Zia, Khalid Mahmood; Hafeez, Samia

    2013-01-01

    Electrocoagulation (EC) technique is applied for the treatment of wastewater containing heavy metals ions such as nickel (Ni), lead (Pb) and cadmium (Cd) by using sacrificial anodes corrode to release active coagulant flocs usually aluminium or iron cations into the solution. During electrolytic reactions hydrogen gas evolve at the cathode. All the experiments were carried out in Batch mode. The tank was filled with synthetic wastewater containing heavy metals and efficiency of electrocoagulation in combination with aluminum and iron electrodes were investigated for removal of such metals. Several parameters, such as contact time, pH, electro-coagulant concentration, and current density were optimized to achieve maximum removal efficiency (%). The concentrations of heavy metals were determined by using Atomic Absorption Spectroscopy (AAS). It is found that the electro-coagulation process has potential to be utilized for the cost-effective removal of heavy metals from wastewater specially using iron electrodes in terms of high removal efficiencies and operating cost

  18. Hydraulic Limits on Maximum Plant Transpiration

    Science.gov (United States)

    Manzoni, S.; Vico, G.; Katul, G. G.; Palmroth, S.; Jackson, R. B.; Porporato, A. M.

    2011-12-01

    Photosynthesis occurs at the expense of water losses through transpiration. As a consequence of this basic carbon-water interaction at the leaf level, plant growth and ecosystem carbon exchanges are tightly coupled to transpiration. In this contribution, the hydraulic constraints that limit transpiration rates under well-watered conditions are examined across plant functional types and climates. The potential water flow through plants is proportional to both xylem hydraulic conductivity (which depends on plant carbon economy) and the difference in water potential between the soil and the atmosphere (the driving force that pulls water from the soil). Differently from previous works, we study how this potential flux changes with the amplitude of the driving force (i.e., we focus on xylem properties and not on stomatal regulation). Xylem hydraulic conductivity decreases as the driving force increases due to cavitation of the tissues. As a result of this negative feedback, more negative leaf (and xylem) water potentials would provide a stronger driving force for water transport, while at the same time limiting xylem hydraulic conductivity due to cavitation. Here, the leaf water potential value that allows an optimum balance between driving force and xylem conductivity is quantified, thus defining the maximum transpiration rate that can be sustained by the soil-to-leaf hydraulic system. To apply the proposed framework at the global scale, a novel database of xylem conductivity and cavitation vulnerability across plant types and biomes is developed. Conductivity and water potential at 50% cavitation are shown to be complementary (in particular between angiosperms and conifers), suggesting a tradeoff between transport efficiency and hydraulic safety. Plants from warmer and drier biomes tend to achieve larger maximum transpiration than plants growing in environments with lower atmospheric water demand. The predicted maximum transpiration and the corresponding leaf water

  19. Intelligent Maximum Power Point Tracking Using Fuzzy Logic for Solar Photovoltaic Systems Under Non-Uniform Irradiation Conditions

    OpenAIRE

    P. Selvam; S. Senthil Kumar

    2016-01-01

    Maximum Power Point Tracking (MPPT) has played a vital role to enhance the efficiency of solar photovoltaic (PV) power generation under varying atmospheric temperature and solar irradiation. However, it is hard to track the maximum power point using conventional linear controllers due to the natural inheritance of nonlinear I-V and P-V characteristics of solar PV systems. Fuzzy Logic Controller (FLC) is suitable for nonlinear system control applications and eliminating oscillations, circuit c...

  20. Reconstruction of calmodulin single-molecule FRET states, dye interactions, and CaMKII peptide binding by MultiNest and classic maximum entropy

    Science.gov (United States)

    DeVore, Matthew S.; Gull, Stephen F.; Johnson, Carey K.

    2013-08-01

    We analyzed single molecule FRET burst measurements using Bayesian nested sampling. The MultiNest algorithm produces accurate FRET efficiency distributions from single-molecule data. FRET efficiency distributions recovered by MultiNest and classic maximum entropy are compared for simulated data and for calmodulin labeled at residues 44 and 117. MultiNest compares favorably with maximum entropy analysis for simulated data, judged by the Bayesian evidence. FRET efficiency distributions recovered for calmodulin labeled with two different FRET dye pairs depended on the dye pair and changed upon Ca2+ binding. We also looked at the FRET efficiency distributions of calmodulin bound to the calcium/calmodulin dependent protein kinase II (CaMKII) binding domain. For both dye pairs, the FRET efficiency distribution collapsed to a single peak in the case of calmodulin bound to the CaMKII peptide. These measurements strongly suggest that consideration of dye-protein interactions is crucial in forming an accurate picture of protein conformations from FRET data.

  1. Reconstruction of Calmodulin Single-Molecule FRET States, Dye-Interactions, and CaMKII Peptide Binding by MultiNest and Classic Maximum Entropy.

    Science.gov (United States)

    Devore, Matthew S; Gull, Stephen F; Johnson, Carey K

    2013-08-30

    We analyze single molecule FRET burst measurements using Bayesian nested sampling. The MultiNest algorithm produces accurate FRET efficiency distributions from single-molecule data. FRET efficiency distributions recovered by MultiNest and classic maximum entropy are compared for simulated data and for calmodulin labeled at residues 44 and 117. MultiNest compares favorably with maximum entropy analysis for simulated data, judged by the Bayesian evidence. FRET efficiency distributions recovered for calmodulin labeled with two different FRET dye pairs depended on the dye pair and changed upon Ca 2+ binding. We also looked at the FRET efficiency distributions of calmodulin bound to the calcium/calmodulin dependent protein kinase II (CaMKII) binding domain. For both dye pairs, the FRET efficiency distribution collapsed to a single peak in the case of calmodulin bound to the CaMKII peptide. These measurements strongly suggest that consideration of dye-protein interactions is crucial in forming an accurate picture of protein conformations from FRET data.

  2. Perspective: Maximum caliber is a general variational principle for dynamical systems.

    Science.gov (United States)

    Dixit, Purushottam D; Wagoner, Jason; Weistuch, Corey; Pressé, Steve; Ghosh, Kingshuk; Dill, Ken A

    2018-01-07

    We review here Maximum Caliber (Max Cal), a general variational principle for inferring distributions of paths in dynamical processes and networks. Max Cal is to dynamical trajectories what the principle of maximum entropy is to equilibrium states or stationary populations. In Max Cal, you maximize a path entropy over all possible pathways, subject to dynamical constraints, in order to predict relative path weights. Many well-known relationships of non-equilibrium statistical physics-such as the Green-Kubo fluctuation-dissipation relations, Onsager's reciprocal relations, and Prigogine's minimum entropy production-are limited to near-equilibrium processes. Max Cal is more general. While it can readily derive these results under those limits, Max Cal is also applicable far from equilibrium. We give examples of Max Cal as a method of inference about trajectory distributions from limited data, finding reaction coordinates in bio-molecular simulations, and modeling the complex dynamics of non-thermal systems such as gene regulatory networks or the collective firing of neurons. We also survey its basis in principle and some limitations.

  3. Perspective: Maximum caliber is a general variational principle for dynamical systems

    Science.gov (United States)

    Dixit, Purushottam D.; Wagoner, Jason; Weistuch, Corey; Pressé, Steve; Ghosh, Kingshuk; Dill, Ken A.

    2018-01-01

    We review here Maximum Caliber (Max Cal), a general variational principle for inferring distributions of paths in dynamical processes and networks. Max Cal is to dynamical trajectories what the principle of maximum entropy is to equilibrium states or stationary populations. In Max Cal, you maximize a path entropy over all possible pathways, subject to dynamical constraints, in order to predict relative path weights. Many well-known relationships of non-equilibrium statistical physics—such as the Green-Kubo fluctuation-dissipation relations, Onsager's reciprocal relations, and Prigogine's minimum entropy production—are limited to near-equilibrium processes. Max Cal is more general. While it can readily derive these results under those limits, Max Cal is also applicable far from equilibrium. We give examples of Max Cal as a method of inference about trajectory distributions from limited data, finding reaction coordinates in bio-molecular simulations, and modeling the complex dynamics of non-thermal systems such as gene regulatory networks or the collective firing of neurons. We also survey its basis in principle and some limitations.

  4. Efficient Coding and Energy Efficiency Are Promoted by Balanced Excitatory and Inhibitory Synaptic Currents in Neuronal Network.

    Science.gov (United States)

    Yu, Lianchun; Shen, Zhou; Wang, Chen; Yu, Yuguo

    2018-01-01

    Selective pressure may drive neural systems to process as much information as possible with the lowest energy cost. Recent experiment evidence revealed that the ratio between synaptic excitation and inhibition (E/I) in local cortex is generally maintained at a certain value which may influence the efficiency of energy consumption and information transmission of neural networks. To understand this issue deeply, we constructed a typical recurrent Hodgkin-Huxley network model and studied the general principles that governs the relationship among the E/I synaptic current ratio, the energy cost and total amount of information transmission. We observed in such a network that there exists an optimal E/I synaptic current ratio in the network by which the information transmission achieves the maximum with relatively low energy cost. The coding energy efficiency which is defined as the mutual information divided by the energy cost, achieved the maximum with the balanced synaptic current. Although background noise degrades information transmission and imposes an additional energy cost, we find an optimal noise intensity that yields the largest information transmission and energy efficiency at this optimal E/I synaptic transmission ratio. The maximization of energy efficiency also requires a certain part of energy cost associated with spontaneous spiking and synaptic activities. We further proved this finding with analytical solution based on the response function of bistable neurons, and demonstrated that optimal net synaptic currents are capable of maximizing both the mutual information and energy efficiency. These results revealed that the development of E/I synaptic current balance could lead a cortical network to operate at a highly efficient information transmission rate at a relatively low energy cost. The generality of neuronal models and the recurrent network configuration used here suggest that the existence of an optimal E/I cell ratio for highly efficient energy

  5. Determination of rate constants for the oxygen reduction reaction

    Energy Technology Data Exchange (ETDEWEB)

    Racz, A.; Walter, T.; Stimming, U. [Munich Technical Univ., Garching (Germany). Dept. of Physics

    2008-07-01

    The oxygen reduction reaction (ORR) in fuel cells is a complex and fundamental electrochemical reaction. However, greater insight is needed into this multi-electron reaction in order to develop efficient and innovative catalysts. The rotating ring disc electrode (RRDE) is a useful tool for studying reaction intermediates of the ORR and to better understand the reaction pathway. Carbon materials such as carbon nanofilaments-platelets (CNF-PL) have high electrical conductivity and may be considered for fuel cells. In particular Pt and RuSe{sub x}, deposited on CNF-PL materials could act as efficient catalysts in fuel cells. This study used the RRDE to evaluate the oxygen reduction kinetics of these catalysts in oxygen-saturated, diluted sulphuric acid at room temperature. Kinetic data and hydrogen peroxide formation were determined by depositing a thin-film of the catalyst on the Au disc. The values for the constants k1, k2 and k3 were obtained using diagnostic criteria and expressions to calculate the rate constants of the cathodic oxygen reduction reaction for RuSe on new carbon supports. A potential dependency of the constants k1 and k2 for RuSe{sub x}/CNF-PL was observed. The transition of the Tafel slopes for this catalyst was obtained. 4 refs., 1 fig.

  6. A Theoretical Study of two Novel Concept Systems for Maximum Thermal-Chemical Conversion of Biomass to Hydrogen

    Directory of Open Access Journals (Sweden)

    Jacob N. Chung

    2014-01-01

    Full Text Available Two concept systems that are based on the thermochemical process of high-temperature steam gasification of lignocellulosic biomass and municipal solid waste are introduced. The primary objectives of the concept systems are 1 to develop the best scientific, engineering, and technology solutions for converting lignocellulosic biomass, as well as agricultural, forest and municipal waste to clean energy (pure hydrogen fuel, and 2 to minimize water consumption and detrimental impacts of energy production on the environment (air pollution and global warming. The production of superheated steam is by hydrogen combustion using recycled hydrogen produced in the first concept system while in the second concept system concentrated solar energy is used for the steam production. A membrane reactor that performs the hydrogen separation and water gas shift reaction is involved in both systems for producing more pure hydrogen and CO2 sequestration. Based on obtaining the maximum hydrogen production rate the hydrogen recycled ratio is around 20% for the hydrogen combustion steam heating system. Combined with pure hydrogen production, both high temperature steam gasification systems potentially possess more than 80% in first law overall system thermodynamic efficiencies.

  7. A Theoretical Study of Two Novel Concept Systems for Maximum Thermal-Chemical Conversion of Biomass to Hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Chung, J. N., E-mail: jnchung@ufl.edu [Department of Mechanical and Aerospace Engineering, University of Florida, Gainesville, FL (United States)

    2014-01-02

    Two concept systems that are based on the thermochemical process of high temperature steam gasification of lignocellulosic biomass and municipal solid waste are introduced. The primary objectives of the concept systems are (1) to develop the best scientific, engineering, and technology solutions for converting lignocellulosic biomass, as well as agricultural, forest, and municipal waste to clean energy (pure hydrogen fuel), and (2) to minimize water consumption and detrimental impacts of energy production on the environment (air pollution and global warming). The production of superheated steam is by hydrogen combustion using recycled hydrogen produced in the first concept system while in the second concept system concentrated solar energy is used for the steam production. A membrane reactor that performs the hydrogen separation and water gas shift reaction is involved in both systems for producing more pure hydrogen and CO{sub 2} sequestration. Based on obtaining the maximum hydrogen production rate the hydrogen recycled ratio is around 20% for the hydrogen combustion steam heating system. Combined with pure hydrogen production, both high temperature steam gasification systems potentially possess more than 80% in first law overall system thermodynamic efficiencies.

  8. Near-maximum-power-point-operation (nMPPO) design of photovoltaic power generation system

    Energy Technology Data Exchange (ETDEWEB)

    Huang, B.J.; Sun, F.S.; Ho, R.W. [Department of Mechanical Engineering, National Taiwan University, Taipei 106, Taiwan (China)

    2006-08-15

    The present study proposes a PV system design, called 'near-maximum power-point-operation' (nMPPO) that can maintain the performance very close to PV system with MPPT (maximum-power-point tracking) but eliminate hardware of the MPPT. The concept of nMPPO is to match the design of battery bank voltage V{sub set} with the MPP (maximum-power point) of the PV module based on an analysis using meteorological data. Three design methods are used in the present study to determine the optimal V{sub set}. The analytical results show that nMPPO is feasible and the optimal V{sub set} falls in the range 13.2-15.0V for MSX60 PV module. The long-term performance simulation shows that the overall nMPPO efficiency {eta}{sub nMPPO} is higher than 94%. Two outdoor field tests were carried out in the present study to verify the design of nMPPO. The test results for a single PV module (60Wp) indicate that the nMPPO efficiency {eta}{sub nMPPO} is mostly higher than 93% at various PV temperature T{sub pv}. Another long-term field test of 1kWp PV array using nMPPO shows that the power generation using nMPPO is almost identical with MPPT at various weather conditions and T{sub pv} variation from 24{sup o}C to 70{sup o}C. (author)

  9. Investigating radical cation chain processes in the electrocatalytic Diels-Alder reaction.

    Science.gov (United States)

    Imada, Yasushi; Okada, Yohei; Chiba, Kazuhiro

    2018-01-01

    Single electron transfer (SET)-triggered radical ion-based reactions have proven to be powerful options in synthetic organic chemistry. Although unique chain processes have been proposed in various photo- and electrochemical radical ion-based transformations, the turnover number, also referred to as catalytic efficiency, remains unclear in most cases. Herein, we disclose our investigations of radical cation chain processes in the electrocatalytic Diels-Alder reaction, leading to a scalable synthesis. A gram-scale synthesis was achieved with high current efficiency of up to 8000%. The reaction monitoring profiles showed sigmoidal curves with induction periods, suggesting the involvement of intermediate(s) in the rate determining step.

  10. NiMn layered double hydroxide nanosheets/NiCo2O4 nanowires with surface rich high valence state metal oxide as an efficient electrocatalyst for oxygen evolution reaction

    Science.gov (United States)

    Yang, Liting; Chen, Lin; Yang, Dawen; Yu, Xu; Xue, Huaiguo; Feng, Ligang

    2018-07-01

    High valence transition metal oxide is significant for anode catalyst of proton membrane water electrolysis technique. Herein, we demonstrate NiMn layered double hydroxide nanosheets/NiCo2O4 nanowires hierarchical nanocomposite catalyst with surface rich high valence metal oxide as an efficient catalyst for oxygen evolution reaction. A low overpotential of 310 mV is needed to drive a 10 mA cm-2 with a Tafel slope of 99 mV dec-1, and a remarkable stability during 8 h is demonstrated in a chronoamperometry test. Theoretical calculation displays the change in the rate-determining step on the nanocomposite electrode in comparison to NiCo2O4 nanowires alone. It is found high valence Ni and Mn oxide in the catalyst system can efficiently facilitate the charge transport across the electrode/electrolyte interface. The enhanced electrical conductivity, more accessible active sites and synergistic effects between NiMn layered double hydroxide nanosheets and NiCo2O4 nanowires can account for the excellent oxygen evolution reaction. The catalytic performance is comparable to most of the best non-noble catalysts and IrO2 noble catalyst, indicating the promising applications in water-splitting technology. It is an important step in the development of hierarchical nanocomposites by surface valence state tuning as an alternative to noble metals for oxygen evolution reaction.

  11. A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions

    International Nuclear Information System (INIS)

    Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C.; Brooks, Scott C; Pace, Molly; Kim, Young Jin; Jardine, Philip M.; Watson, David B.

    2007-01-01

    This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M. partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M. species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing NE equilibrium reactions and a set of reactive transport equations of M-NE kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions

  12. A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions.

    Science.gov (United States)

    Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C; Brooks, Scott C; Pace, Molly N; Kim, Young-Jin; Jardine, Philip M; Watson, David B

    2007-06-16

    This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing N(E) equilibrium reactions and a set of reactive transport equations of M-N(E) kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions.

  13. Maximum Acceleration Recording Circuit

    Science.gov (United States)

    Bozeman, Richard J., Jr.

    1995-01-01

    Coarsely digitized maximum levels recorded in blown fuses. Circuit feeds power to accelerometer and makes nonvolatile record of maximum level to which output of accelerometer rises during measurement interval. In comparison with inertia-type single-preset-trip-point mechanical maximum-acceleration-recording devices, circuit weighs less, occupies less space, and records accelerations within narrower bands of uncertainty. In comparison with prior electronic data-acquisition systems designed for same purpose, circuit simpler, less bulky, consumes less power, costs and analysis of data recorded in magnetic or electronic memory devices. Circuit used, for example, to record accelerations to which commodities subjected during transportation on trucks.

  14. Recent Developments in Maximum Power Point Tracking Technologies for Photovoltaic Systems

    Directory of Open Access Journals (Sweden)

    Nevzat Onat

    2010-01-01

    Full Text Available In photovoltaic (PV system applications, it is very important to design a system for operating of the solar cells (SCs under best conditions and highest efficiency. Maximum power point (MPP varies depending on the angle of sunlight on the surface of the panel and cell temperature. Hence, the operating point of the load is not always MPP of PV system. Therefore, in order to supply reliable energy to the load, PV systems are designed to include more than the required number of modules. The solution to this problem is that switching power converters are used, that is called maximum power point tracker (MPPT. In this study, the various aspects of these algorithms have been analyzed in detail. Classifications, definitions, and basic equations of the most widely used MPPT technologies are given. Moreover, a comparison was made in the conclusion.

  15. MPBoot: fast phylogenetic maximum parsimony tree inference and bootstrap approximation.

    Science.gov (United States)

    Hoang, Diep Thi; Vinh, Le Sy; Flouri, Tomáš; Stamatakis, Alexandros; von Haeseler, Arndt; Minh, Bui Quang

    2018-02-02

    The nonparametric bootstrap is widely used to measure the branch support of phylogenetic trees. However, bootstrapping is computationally expensive and remains a bottleneck in phylogenetic analyses. Recently, an ultrafast bootstrap approximation (UFBoot) approach was proposed for maximum likelihood analyses. However, such an approach is still missing for maximum parsimony. To close this gap we present MPBoot, an adaptation and extension of UFBoot to compute branch supports under the maximum parsimony principle. MPBoot works for both uniform and non-uniform cost matrices. Our analyses on biological DNA and protein showed that under uniform cost matrices, MPBoot runs on average 4.7 (DNA) to 7 times (protein data) (range: 1.2-20.7) faster than the standard parsimony bootstrap implemented in PAUP*; but 1.6 (DNA) to 4.1 times (protein data) slower than the standard bootstrap with a fast search routine in TNT (fast-TNT). However, for non-uniform cost matrices MPBoot is 5 (DNA) to 13 times (protein data) (range:0.3-63.9) faster than fast-TNT. We note that MPBoot achieves better scores more frequently than PAUP* and fast-TNT. However, this effect is less pronounced if an intensive but slower search in TNT is invoked. Moreover, experiments on large-scale simulated data show that while both PAUP* and TNT bootstrap estimates are too conservative, MPBoot bootstrap estimates appear more unbiased. MPBoot provides an efficient alternative to the standard maximum parsimony bootstrap procedure. It shows favorable performance in terms of run time, the capability of finding a maximum parsimony tree, and high bootstrap accuracy on simulated as well as empirical data sets. MPBoot is easy-to-use, open-source and available at http://www.cibiv.at/software/mpboot .

  16. Low-temperature (75 °C) solid-state reaction enhanced by less-crystallized nanoporous PbI2 films for efficient CH3NH3PbI3 perovskite solar cells

    International Nuclear Information System (INIS)

    Zheng, Huifeng; Liu, Yangqiao; Sun, Jing

    2017-01-01

    Highlights: • Efficient perovskite solar cells were prepared with solid-state reaction at 75 °C. • Ln-PbI 2 is superior to c-PbI 2 when applied in low-temperature solid-state reaction. • A higher champion PCE was obtained at 75 °C (13.8%) than that of 140 °C (11.8%). • Non-radiative defects increase significantly when annealed at high temperature. - Abstract: Organohalide perovskite films are usually prepared with the solid-state reaction at a high temperature ≥100 °C, which causes the increase of non-radiative defects and decomposition of perovskite films. Here, we demonstrate it’s feasible to prepare high-quality perovskite films with the solid-state reaction method even at a temperature of 75 °C, when enhanced by less-crystallized nanoporous PbI 2 (ln-PbI 2 ) films. The replacement of compact PbI 2 (c-PbI 2 ) by ln-PbI 2 , results in a significant improvement of crystallinity of perovskite films, besides the elimination of remnant PbI 2 . As a result, ln-PbI 2 based perovskite solar cells display much higher power conversion efficiency (PCE) and better stability. Moreover, annealing duration was found to be critical for high PCE and was optimized as 60 min. Finally, with the optimal process, the champion device displayed a PCE of 13.8% and the average PCE reached 10.1% with a satisfactory deviation. Furthermore, we found annealing at high temperature (140 °C) led to a lower PCE compared with that annealed at 75 °C, because non-radiative defects increased significantly during high-temperature annealing. This work may open up a promising avenue for preparing high-quality perovskite films with the low-temperature solid-state reaction method, which is desirable for real application.

  17. The Eschenmoser coupling reaction under continuous-flow conditions

    Science.gov (United States)

    Singh, Sukhdeep; Köhler, J Michael; Schober, Andreas

    2011-01-01

    Summary The Eschenmoser coupling is a useful carbon–carbon bond forming reaction which has been used in various different synthesis strategies. The reaction proceeds smoothly if S-alkylated ternary thioamides or thiolactames are used. In the case of S-alkylated secondary thioamides or thiolactames, the Eschenmoser coupling needs prolonged reaction times and elevated temperatures to deliver valuable yields. We have used a flow chemistry system to promote the Eschenmoser coupling under enhanced reaction conditions in order to convert the demanding precursors such as S-alkylated secondary thioamides and thiolactames in an efficient way. Under pressurized reaction conditions at about 220 °C, the desired Eschenmoser coupling products were obtained within 70 s residence time. The reaction kinetics was investigated and 15 examples of different building block combinations are given. PMID:21915222

  18. The Eschenmoser coupling reaction under continuous-flow conditions

    Directory of Open Access Journals (Sweden)

    Sukhdeep Singh

    2011-08-01

    Full Text Available The Eschenmoser coupling is a useful carbon–carbon bond forming reaction which has been used in various different synthesis strategies. The reaction proceeds smoothly if S-alkylated ternary thioamides or thiolactames are used. In the case of S-alkylated secondary thioamides or thiolactames, the Eschenmoser coupling needs prolonged reaction times and elevated temperatures to deliver valuable yields. We have used a flow chemistry system to promote the Eschenmoser coupling under enhanced reaction conditions in order to convert the demanding precursors such as S-alkylated secondary thioamides and thiolactames in an efficient way. Under pressurized reaction conditions at about 220 °C, the desired Eschenmoser coupling products were obtained within 70 s residence time. The reaction kinetics was investigated and 15 examples of different building block combinations are given.

  19. Maximum Power from a Solar Panel

    Directory of Open Access Journals (Sweden)

    Michael Miller

    2010-01-01

    Full Text Available Solar energy has become a promising alternative to conventional fossil fuel sources. Solar panels are used to collect solar radiation and convert it into electricity. One of the techniques used to maximize the effectiveness of this energy alternative is to maximize the power output of the solar collector. In this project the maximum power is calculated by determining the voltage and the current of maximum power. These quantities are determined by finding the maximum value for the equation for power using differentiation. After the maximum values are found for each time of day, each individual quantity, voltage of maximum power, current of maximum power, and maximum power is plotted as a function of the time of day.

  20. Maximum Correntropy Unscented Kalman Filter for Spacecraft Relative State Estimation

    Directory of Open Access Journals (Sweden)

    Xi Liu

    2016-09-01

    Full Text Available A new algorithm called maximum correntropy unscented Kalman filter (MCUKF is proposed and applied to relative state estimation in space communication networks. As is well known, the unscented Kalman filter (UKF provides an efficient tool to solve the non-linear state estimate problem. However, the UKF usually plays well in Gaussian noises. Its performance may deteriorate substantially in the presence of non-Gaussian noises, especially when the measurements are disturbed by some heavy-tailed impulsive noises. By making use of the maximum correntropy criterion (MCC, the proposed algorithm can enhance the robustness of UKF against impulsive noises. In the MCUKF, the unscented transformation (UT is applied to obtain a predicted state estimation and covariance matrix, and a nonlinear regression method with the MCC cost is then used to reformulate the measurement information. Finally, the UT is adopted to the measurement equation to obtain the filter state and covariance matrix. Illustrative examples demonstrate the superior performance of the new algorithm.

  1. Novel TPPO Based Maximum Power Point Method for Photovoltaic System

    Directory of Open Access Journals (Sweden)

    ABBASI, M. A.

    2017-08-01

    Full Text Available Photovoltaic (PV system has a great potential and it is installed more when compared with other renewable energy sources nowadays. However, the PV system cannot perform optimally due to its solid reliance on climate conditions. Due to this dependency, PV system does not operate at its maximum power point (MPP. Many MPP tracking methods have been proposed for this purpose. One of these is the Perturb and Observe Method (P&O which is the most famous due to its simplicity, less cost and fast track. But it deviates from MPP in continuously changing weather conditions, especially in rapidly changing irradiance conditions. A new Maximum Power Point Tracking (MPPT method, Tetra Point Perturb and Observe (TPPO, has been proposed to improve PV system performance in changing irradiance conditions and the effects on characteristic curves of PV array module due to varying irradiance are delineated. The Proposed MPPT method has shown better results in increasing the efficiency of a PV system.

  2. Efficient Destruction of Pollutants in Water by a Dual-Reaction-Center Fenton-like Process over Carbon Nitride Compounds-Complexed Cu(II)-CuAlO2.

    Science.gov (United States)

    Lyu, Lai; Yan, Dengbiao; Yu, Guangfei; Cao, Wenrui; Hu, Chun

    2018-04-03

    Carbon nitride compounds (CN) complexed with the in-situ-produced Cu(II) on the surface of CuAlO 2 substrate (CN-Cu(II)-CuAlO 2 ) is prepared via a surface growth process for the first time and exhibits exceptionally high activity and efficiency for the degradation of the refractory pollutants in water through a Fenton-like process in a wide pH range. The reaction rate for bisphenol A removal is ∼25 times higher than that of the CuAlO 2 . According to the characterization, Cu(II) generation on the surface of CuAlO 2 during the surface growth process results in the marked decrease of the surface oxygen vacancies and the formation of the C-O-Cu bridges between CN and Cu(II)-CuAlO 2 in the catalyst. The electron paramagnetic resonance (EPR) analysis and density functional theory (DFT) calculations demonstrate that the dual reaction centers are produced around the Cu and C sites due to the cation-π interactions through the C-O-Cu bridges in CN-Cu(II)-CuAlO 2 . During the Fenton-like reactions, the electron-rich center around Cu is responsible for the efficient reduction of H 2 O 2 to • OH, and the electron-poor center around C captures electrons from H 2 O 2 or pollutants and diverts them to the electron-rich area via the C-O-Cu bridge. Thus, the catalyst exhibits excellent catalytic performance for the refractory pollutant degradation. This study can deepen our understanding on the enhanced Fenton reactivity for water purification through functionalizing with organic solid-phase ligands on the catalyst surface.

  3. Optimizing the top profile of a nanowire for maximum forward emission

    Institute of Scientific and Technical Information of China (English)

    Wang Dong-Lin; Yu Zhong-Yuan; Liu Yu-Min; Guo Xiao-Tao; Cao Gui; Feng Hao

    2011-01-01

    The optimal top structure of a nanowire quantum emitter single photon source is significant in improving performance.Based on the axial symmetry of a cylindrical nanowire,this paper optimizes the top profile of a nanowire for the maximum forward emission by combining the geometry projection method and the finite element method.The results indicate that the nanowire with a cambered top has the stronger emission in the forward direction,which is helpful to improve the photon collection efficiency.

  4. A Ligand Structure-Activity Study of DNA-Based Catalytic Asymmetric Hydration and Diels-Alder Reactions

    NARCIS (Netherlands)

    Rosati, F.; Roelfes, J.G.

    A structure-activity relationship study of the first generation ligands for the DNA-based asymmetric hydration of enones and Diels-Alder reaction in water is reported. The design of the ligand was optimized resulting in a maximum ee of 83% in the hydration reaction and 75% in the Diels-Alder

  5. Stable and efficient nitrogen-containing-carbon based electrocatalysts for reactions in energy conversion systems.

    Science.gov (United States)

    Wang, Sicong; Teng, Zhenyuan; Wang, Chengyin; Wang, Guoxiu

    2018-05-17

    High activity and stability are crucial for practical electrocatalysts used for reactions in fuel cells, metal-air batteries and water electrolysis including ORR, HER, OER and oxidation reactions of formic acid and alcohols. N-C based electrocatalysts have shown promising prospects for catalyzing these reactions, however, there is no systematic review for strategies toward engineering active and stable N-C based electrocatalysts reported by far. Herein, a comprehensive comparison of recently reported N-C based electrocatalysts regarding both electrocatalytic activity and long-term stability is presented. In the first part of this review, relationships between electrocatalytic reactions and element selections for modifying N-C based materials are discussed. Afterwards, synthesis methods for N-C based electrocatalysts are summarized, and synthetic strategies for highly stable N-C based electrocatalysts are presented. Multiple tables containing data on crucial parameters for both electrocatalytic activity and stability are displayed in this review. Finally, constructing M-Nx moieties is proposed as the most promising engineering strategy for stable N-C based electrocatalysts. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Estimation Methods for Non-Homogeneous Regression - Minimum CRPS vs Maximum Likelihood

    Science.gov (United States)

    Gebetsberger, Manuel; Messner, Jakob W.; Mayr, Georg J.; Zeileis, Achim

    2017-04-01

    Non-homogeneous regression models are widely used to statistically post-process numerical weather prediction models. Such regression models correct for errors in mean and variance and are capable to forecast a full probability distribution. In order to estimate the corresponding regression coefficients, CRPS minimization is performed in many meteorological post-processing studies since the last decade. In contrast to maximum likelihood estimation, CRPS minimization is claimed to yield more calibrated forecasts. Theoretically, both scoring rules used as an optimization score should be able to locate a similar and unknown optimum. Discrepancies might result from a wrong distributional assumption of the observed quantity. To address this theoretical concept, this study compares maximum likelihood and minimum CRPS estimation for different distributional assumptions. First, a synthetic case study shows that, for an appropriate distributional assumption, both estimation methods yield to similar regression coefficients. The log-likelihood estimator is slightly more efficient. A real world case study for surface temperature forecasts at different sites in Europe confirms these results but shows that surface temperature does not always follow the classical assumption of a Gaussian distribution. KEYWORDS: ensemble post-processing, maximum likelihood estimation, CRPS minimization, probabilistic temperature forecasting, distributional regression models

  7. Harnessing the Efficiency of 0(1D) Insertion Reactions for Prebiotic Astrochemistry

    Science.gov (United States)

    Widicus Weaver, Susanna

    We propose a THz spectroscopic study of the small prebiotic molecules aminomethanol, methanediol, and methoxymethanol. These target molecules are predicted as the dominant products of photo-driven grain surface chemistry in interstellar environments, and are precursors to important prebiotic molecules like sugars and amino acids. These molecules are also expected to be major contributors to the spectral line density in the submillimeter spectral surveys from the Herschel and SOFIA observatories. We will use our custom mixing source to produce these molecules through O(1D) insertion reactions with the precursor molecules methyl amine, methanol, and dimethyl ether, respectively. We will then record their rotational spectra across the THz frequency range using our existing submillimeter spectrometer. This research will increase the science return from NASA missions because the target molecules serve as tracers of the simplest organic chemistry that can occur in starforming regions. This chemistry begins with methanol, which is the predominant organic molecule observed in interstellar ices. Methanol photodissociation leads to small organic radicals such as CH3O, CH2OH, and CH3. These radicals can undergo combination reactions on interstellar ices to form many of the complex organic molecules that are routinely observed in star-forming regions. Our target molecules aminomethanol, methanediol, and methoxymethanol are some of the simplest molecules that can form from this type of chemistry, and serve as tracers of ice mantle liberation in star-forming regions. These molecules also participate in gas-phase reactions that lead to amino acids and sugars, and as such are fundamentally important prebiotic molecules in interstellar environments. These types of small organic molecules also have high spectral line density, and are major contributors to line confusion in observational spectral surveys such as those conducted by Herschel and SOFIA. Therefore, the proposed research

  8. Facile and efficient room temperature solid state reaction enabled synthesis of antimony nanoparticles embedded within reduced graphene oxide for enhanced sodium-ion storage

    Science.gov (United States)

    Zhang, Xiukui; Wu, Ping; Jiang, Li; Zhang, Xiaofang; Shi, Hongxia; Zhu, Xiaoshu; Wei, Shaohua; Zhou, Yiming

    2018-06-01

    Herein, a very simple and cost-effective solid state reaction method is employed to obtain, for the first time, the antimony nanoparticles embedded within reduced graphene oxide matrices (designated as Sb/rGO). By directly grinding antimony chloride and sodium hydroxide together at room temperature in the presence of graphene oxide (GO), Sb4O5Cl2 precursor was quickly obtained, which is evenly incorporated in the graphene oxide matrices. After subsequent chemical reduction by NaBH4, the Sb/rGO composite was successfully synthesized. The as-prepared Sb/rGO composite consists of uniform Sb nanoparticles of sub-20 nm, all of which have been wrapped in and protected by the rGO matrices. The Sb nanoparticles serve as a sufficient sodium ion reservoir while the rGO matrices provide highly efficient pathways for transport of sodium ions and electrons. Moreover, the volume expansion of Sb during sodiation can be buffered in the rGO matrices. As a result, the Sb/rGO composite exhibits excellent electrochemical performance in sodium-ion batteries (SIBs), including an enhanced cycling stability with a highly reversible charge capacity of 455 mA h g-1 after 45 cycles at 100 mA g-1, and a coulombic efficiency exceeding 98% during cycling. The findings in the present work pave the way to not only synthesize the designated promising electrode materials for high performance SIBs, but also thoroughly understand the solid-state reaction.

  9. Micro-coulometric study of bioelectrochemical reaction coupled with TCA cycle.

    Science.gov (United States)

    Tsujimura, Seiya; Fukuda, Jun; Shirai, Osamu; Kano, Kenji; Sakai, Hideki; Tokita, Yuichi; Hatazawa, Tsuyonobu

    2012-04-15

    The mediated electro-enzymatic electrolysis systems based on the tricarboxylic acid (TCA) cycle reaction were examined on a micro-bulk electrolytic system. A series of the enzyme-catalyzed reactions in the TCA cycle was coupled with electrode reaction. Electrochemical oxidation of NADH was catalyzed by diaphorase with an aid of a redox mediator with a formal potential of -0.15 V vs. Ag|AgCl. The mediator was also able to shuttle electrons between succinate dehydrogenase and electrode. The charge during the electrolysis increased on each addition of dehydrogenase reaction in a cascade of the TCA cycle. However, the electrolysis efficiencies were close to or less than 90% because of the product inhibition. Lactate oxidation to acetyl-CoA catalyzed by two NAD-dependent dehydrogenases was coupled with the bioelectrochemical TCA cycle reaction to achieve the 12-electron oxidation of lactate to CO(2). The charge passed in the bioelectrocatalytic oxidation of 5 nmol of lactate was 4 mC, which corresponds to 70% of the electrolysis efficiency. Copyright © 2012 Elsevier B.V. All rights reserved.

  10. Alum an Efficient Catalyst for Erlenmeyer Synthesis

    African Journals Online (AJOL)

    NICO

    this paper we describe the use of alum as a catalyst in the. Erlenmeyer reaction, under solvent-free condition using ultra- sonic irradiation. The application of solvent-free reaction conditions in organic chemistry has been explored extensively within the last decade. It was shown to be an efficient technique for various organic.

  11. Determination of point of maximum likelihood in failure domain using genetic algorithms

    International Nuclear Information System (INIS)

    Obadage, A.S.; Harnpornchai, N.

    2006-01-01

    The point of maximum likelihood in a failure domain yields the highest value of the probability density function in the failure domain. The maximum-likelihood point thus represents the worst combination of random variables that contribute in the failure event. In this work Genetic Algorithms (GAs) with an adaptive penalty scheme have been proposed as a tool for the determination of the maximum likelihood point. The utilization of only numerical values in the GAs operation makes the algorithms applicable to cases of non-linear and implicit single and multiple limit state function(s). The algorithmic simplicity readily extends its application to higher dimensional problems. When combined with Monte Carlo Simulation, the proposed methodology will reduce the computational complexity and at the same time will enhance the possibility in rare-event analysis under limited computational resources. Since, there is no approximation done in the procedure, the solution obtained is considered accurate. Consequently, GAs can be used as a tool for increasing the computational efficiency in the element and system reliability analyses

  12. Efficient protocols for Stirling heat engines at the micro-scale

    Science.gov (United States)

    Muratore-Ginanneschi, Paolo; Schwieger, Kay

    2015-10-01

    We investigate the thermodynamic efficiency of sub-micro-scale Stirling heat engines operating under the conditions described by overdamped stochastic thermodynamics. We show how to construct optimal protocols such that at maximum power the efficiency attains for constant isotropic mobility the universal law η=2 ηC/(4-ηC) , where ηC is the efficiency of an ideal Carnot cycle. We show that these protocols are specified by the solution of an optimal mass transport problem. Such solution can be determined explicitly using well-known Monge-Ampère-Kantorovich reconstruction algorithms. Furthermore, we show that the same law describes the efficiency of heat engines operating at maximum work over short time periods. Finally, we illustrate the straightforward extension of these results to cases when the mobility is anisotropic and temperature dependent.

  13. Growth and Destruction of PAH Molecules in Reactions with Carbon Atoms

    Energy Technology Data Exchange (ETDEWEB)

    Krasnokutski, Serge A.; Huisken, Friedrich; Jäger, Cornelia; Henning, Thomas [Laboratory Astrophysics Group of the Max Planck Institute for Astronomy at the Friedrich Schiller University Jena, Helmholtzweg 3, D-07743 Jena (Germany)

    2017-02-10

    A very high abundance of atomic carbon in the interstellar medium (ISM), and the high reactivity of these species toward different hydrocarbon molecules including benzene, raise questions regarding the stability of polycyclic aromatic hydrocarbon (PAH) molecules in space. To test the efficiency of destruction of PAH molecules via reactions with atomic carbon, we performed a set of laboratory and computational studies of the reactions of naphthalene, anthracene, and coronene molecules with carbon atoms in the ground state. The reactions were investigated in liquid helium droplets at T = 0.37 K and by quantum chemical computations. Our studies suggest that all small and all large catacondensed PAHs react barrierlessly with atomic carbon, and therefore should be efficiently destroyed by such reactions in a broad temperature range. At the same time, large compact pericondensed PAHs should be more inert toward such a reaction. In addition, taking into account their higher photostability, much higher abundances of pericondensed PAHs should be expected in various astrophysical environments. The barrierless reactions between carbon atoms and small PAHs also suggest that, in the ISM, these reactions could lead to the bottom-up formation of PAH molecules.

  14. Two-Stage Chaos Optimization Search Application in Maximum Power Point Tracking of PV Array

    Directory of Open Access Journals (Sweden)

    Lihua Wang

    2014-01-01

    Full Text Available In order to deliver the maximum available power to the load under the condition of varying solar irradiation and environment temperature, maximum power point tracking (MPPT technologies have been used widely in PV systems. Among all the MPPT schemes, the chaos method is one of the hot topics in recent years. In this paper, a novel two-stage chaos optimization method is presented which can make search faster and more effective. In the process of proposed chaos search, the improved logistic mapping with the better ergodic is used as the first carrier process. After finding the current optimal solution in a certain guarantee, the power function carrier as the secondary carrier process is used to reduce the search space of optimized variables and eventually find the maximum power point. Comparing with the traditional chaos search method, the proposed method can track the change quickly and accurately and also has better optimization results. The proposed method provides a new efficient way to track the maximum power point of PV array.

  15. Efficient non-doped phosphorescent orange, blue and white organic light-emitting devices

    Science.gov (United States)

    Yin, Yongming; Yu, Jing; Cao, Hongtao; Zhang, Letian; Sun, Haizhu; Xie, Wenfa

    2014-10-01

    Efficient phosphorescent orange, blue and white organic light-emitting devices (OLEDs) with non-doped emissive layers were successfully fabricated. Conventional blue phosphorescent emitters bis [4,6-di-fluorophenyl]-pyridinato-N,C2'] picolinate (Firpic) and Bis(2,4-difluorophenylpyridinato) (Fir6) were adopted to fabricate non-doped blue OLEDs, which exhibited maximum current efficiency of 7.6 and 4.6 cd/A for Firpic and Fir6 based devices, respectively. Non-doped orange OLED was fabricated utilizing the newly reported phosphorescent material iridium (III) (pbi)2Ir(biq), of which manifested maximum current and power efficiency of 8.2 cd/A and 7.8 lm/W. The non-doped white OLEDs were achieved by simply combining Firpic or Fir6 with a 2-nm (pbi)2Ir(biq). The maximum current and power efficiency of the Firpic and (pbi)2Ir(biq) based white OLED were 14.8 cd/A and 17.9 lm/W.

  16. On the equivalence between the minimum entropy generation rate and the maximum conversion rate for a reactive system

    International Nuclear Information System (INIS)

    Bispo, Heleno; Silva, Nilton; Brito, Romildo; Manzi, João

    2013-01-01

    Highlights: • Minimum entropy generation (MEG) principle improved the reaction performance. • MEG rate and the maximum conversion equivalence have been analyzed. • Temperature and residence time are used to the domain establishment of MEG. • Satisfying the temperature and residence time relationship results a optimal performance. - Abstract: The analysis of the equivalence between the minimum entropy generation (MEG) rate and the maximum conversion rate for a reactive system is the main purpose of this paper. While being used as a strategy of optimization, the minimum entropy production was applied to the production of propylene glycol in a Continuous Stirred-Tank Reactor (CSTR) with a view to determining the best operating conditions, and under such conditions, a high conversion rate was found. The effects of the key variables and restrictions on the validity domain of MEG were investigated, which raises issues that are included within a broad discussion. The results from simulations indicate that from the chemical reaction standpoint a maximum conversion rate can be considered as equivalent to MEG. Such a result can be clearly explained by examining the classical Maxwell–Boltzmann distribution, where the molecules of the reactive system under the condition of the MEG rate present a distribution of energy with reduced dispersion resulting in a better quality of collision between molecules with a higher conversion rate

  17. Effect of technological deviation on aerodynamic efficiency of reaction blades of steam and gas turbines at high Mach nos

    International Nuclear Information System (INIS)

    Husain, Z.

    1991-01-01

    During manufacture and assembly of steam and gas turbine blades there are always some technological deviation and is meant local increase or decrease in dimension at certain sections of the profile improper stagger angle of long blades during assembly etc. In this paper the effect of oversize in dimensions at certain important places along a reaction profile has been studied. The technological deviation has been made by sticking thin aluminium foils of 0.3 mm thickness and 15 mm width at inlet and exit tips of reactive profiles and its effect on aerodynamic efficiency at mach. nos ranging from 0.7 to 1.1. The object of performing these tests was to obtain comprehensive data based on which information suitable tolerances could be recommended during manufacture of these blades

  18. Fe–Co/sulfonated polystyrene as an efficient and selective catalyst in heterogeneous Baeyer–Villiger oxidation reaction of cyclic ketones

    Directory of Open Access Journals (Sweden)

    Yingting Wang

    2018-02-01

    Full Text Available A highly efficient catalyst Fe–Co/sulfonated polystyrene (Fe–Co/SPS was introduced and synthesized, which catalyzed BV oxidation of ketones with aqueous hydrogen peroxide to give the corresponding lactones in high yield and selectivity. Solid acid catalyst of Fe–Co/SPS has been prepared by using the 98-wt% sulfuric acid as the sulfonating agent and CoCl2 combined FeCl3 as sources of metal ions. Various physical–chemical characterizations including FT-IR, XRD, SEM and TGA, revealed that bimetallic ions Fe3+–Co2+ species in the sulfonated polystyrene framework were responsible for the catalytic activities. The BV reaction catalyzed by Fe–Co/SPS highlighted the special effects between metal ions and protonic acids as well as solvent-free heterogeneous catalytic oxidation with excellent conversion.

  19. Thermally multiplexed polymerase chain reaction.

    Science.gov (United States)

    Phaneuf, Christopher R; Pak, Nikita; Saunders, D Curtis; Holst, Gregory L; Birjiniuk, Joav; Nagpal, Nikita; Culpepper, Stephen; Popler, Emily; Shane, Andi L; Jerris, Robert; Forest, Craig R

    2015-07-01

    Amplification of multiple unique genetic targets using the polymerase chain reaction (PCR) is commonly required in molecular biology laboratories. Such reactions are typically performed either serially or by multiplex PCR. Serial reactions are time consuming, and multiplex PCR, while powerful and widely used, can be prone to amplification bias, PCR drift, and primer-primer interactions. We present a new thermocycling method, termed thermal multiplexing, in which a single heat source is uniformly distributed and selectively modulated for independent temperature control of an array of PCR reactions. Thermal multiplexing allows amplification of multiple targets simultaneously-each reaction segregated and performed at optimal conditions. We demonstrate the method using a microfluidic system consisting of an infrared laser thermocycler, a polymer microchip featuring 1 μl, oil-encapsulated reactions, and closed-loop pulse-width modulation control. Heat transfer modeling is used to characterize thermal performance limitations of the system. We validate the model and perform two reactions simultaneously with widely varying annealing temperatures (48 °C and 68 °C), demonstrating excellent amplification. In addition, to demonstrate microfluidic infrared PCR using clinical specimens, we successfully amplified and detected both influenza A and B from human nasopharyngeal swabs. Thermal multiplexing is scalable and applicable to challenges such as pathogen detection where patients presenting non-specific symptoms need to be efficiently screened across a viral or bacterial panel.

  20. Fundamental study on temperature estimation of steam generator tubes at sodium-water reaction

    International Nuclear Information System (INIS)

    Furukawa, Tomohiro; Yoshida, Eiichi

    2008-11-01

    In case of the tube failure in the steam generator of the sodium cooled fast breeder reactor, its adjoined tubes are rapidly heated up by the chemical reaction between sodium and water/steam. And it is known that the tubes have the damage called 'wastage' by the disclosure steam jet. This research is a fundamental study based on the metallography about temperature estimation of the damaged tubes at the sodium-water reaction for the establishment of mechanism analysis technique of the behavior. In the examination, the material which gave the rapid thermal history which imitated sodium-water reaction was produced. And it was investigated whether the thermal history (i.e. maximum temperature and the holding time) of the samples could be presumed from the metallurgical examination of the samples. The major results are as follows: (1) The microstructure of the sample which was given the rapid thermal heating has reserved the influence of the maximum temperature and the time, and the structure can explain by referring to the equilibrium diagram and the continuous cooling transformation diagram. (2) Results of the electrolytic extraction of the samples, the ratio of the remained volume to the electrolyzed volume degreased with the increase of the maximum temperature and the time. Furthermore, it was observed the correlation between the remained volume of each element (Cr, Mo, Fe, V and Nb) and the thermal history. (3) It was obtained that the thermal history of the tubes damaged by sodium-water reaction might be able to be estimated from the metallurgical examinations. (author)

  1. Armature reaction effects on HTS field winding in HTS machine

    DEFF Research Database (Denmark)

    Mijatovic, Nenad; Jensen, Bogi Bech

    2013-01-01

    sensitivity to both armature reaction intensity and angular position with respect to the HTS coils. Furthermore, the characterization of the HTS feld winding has been correlated to the electromagnetic torque of the machine where the maximal Ic reduction of 21% has been observed for the maximum torque....

  2. Absolute peak detection efficiencies of a Ge(Li) detector for high gamma-ray energies

    International Nuclear Information System (INIS)

    Katagiri, Masaki

    1985-11-01

    Absolute peak detection efficiencies of a Ge(Li) detector for gamma-rays of 3.5 MeV to 12 MeV were measured using four (p,γ) reactions and a (n,γ) reaction. Two-line-method was used to obtaine peak detection efficiencies. The efficiencies with the both cases are agreed very well. Utilization of (n,γ) reaction is, therefore, effective for measuring these efficiencies, because high energy gamma-rays can be generated easily by using a neutron source. These results were applied to calibration of a gamma-ray standard source, emitting 6.13 MeV gamma-rays, and of intensities of 56 Co standard gamma-ray source. (author)

  3. Achieving Extreme Utilization of Excitons by an Efficient Sandwich-Type Emissive Layer Architecture for Reduced Efficiency Roll-Off and Improved Operational Stability in Organic Light-Emitting Diodes.

    Science.gov (United States)

    Wu, Zhongbin; Sun, Ning; Zhu, Liping; Sun, Hengda; Wang, Jiaxiu; Yang, Dezhi; Qiao, Xianfeng; Chen, Jiangshan; Alshehri, Saad M; Ahamad, Tansir; Ma, Dongge

    2016-02-10

    It has been demonstrated that the efficiency roll-off is generally caused by the accumulation of excitons or charge carriers, which is intimately related to the emissive layer (EML) architecture in organic light-emitting diodes (OLEDs). In this article, an efficient sandwich-type EML structure with a mixed-host EML sandwiched between two single-host EMLs was designed to eliminate this accumulation, thus simultaneously achieving high efficiency, low efficiency roll-off and good operational stability in the resulting OLEDs. The devices show excellent electroluminescence performances, realizing a maximum external quantum efficiency (EQE) of 24.6% with a maximum power efficiency of 105.6 lm W(-1) and a maximum current efficiency of 93.5 cd A(-1). At the high brightness of 5,000 cd m(-2), they still remain as high as 23.3%, 71.1 lm W(-1), and 88.3 cd A(-1), respectively. And, the device lifetime is up to 2000 h at initial luminance of 1000 cd m(-2), which is significantly higher than that of compared devices with conventional EML structures. The improvement mechanism is systematically studied by the dependence of the exciton distribution in EML and the exciton quenching processes. It can be seen that the utilization of the efficient sandwich-type EML broadens the recombination zone width, thus greatly reducing the exciton quenching and increasing the probability of the exciton recombination. It is believed that the design concept provides a new avenue for us to achieve high-performance OLEDs.

  4. Adverse reactions to iotroxate at intravenous cholangiography

    International Nuclear Information System (INIS)

    Nilsson, U.

    1987-01-01

    The number and type of adverse reactions to meglumine iotroxate at intravenous infusion cholangiography, performed one day prior to elective cholecystectomy, were recorded in a prospective investigation of 196 asymptomatic, anicteric patients. One hundred ml (50 mg I/ml) of contrast medium was infused over a period of 30 minutes. Only 2 minor (1%) and no severe or fatal reactions were noted. A review of the literature on the use of iotroxate in 2492 patients, including those in the present investigation, revealed a complication rate of 3.5% (3.0% minor, 0.3% moderate and 0.2% severe reactions) at infusion of iotroxate (5.0-8.0 g I) over a period of 30 to 120 minutes. This compared favourably with the 5% complication rate (4% minor, 0.5% moderate and 0.5% severe reactions) at infusion of iodoxamate and the 9% complication rate (5% minor, 1% moderate and 3% severe reactions) at infusion of ioglycamide. Irrespective of the contrast agent used, the frequency of adverse reactions at infusion was found to be 3 times lower than when equal amounts (5.0-5.6 g I) of the same medium were injected. It is concluded that, at present, infusion of iotroxate in an amount which approximates to the transportation maximum of the liver is the least toxic way of performing intravenous cholangiography with an optimum filling of the bile ducts. (orig.)

  5. CoM(M=Fe,Cu,Ni)-embedded nitrogen-enriched porous carbon framework for efficient oxygen and hydrogen evolution reactions

    Science.gov (United States)

    Feng, Xiaogeng; Bo, Xiangjie; Guo, Liping

    2018-06-01

    Rational synthesis and development of earth-abundant materials with efficient electrocatalytic activity and stability for water splitting is a critical but challenging step for sustainable energy application. Herein, a family of bimetal (CoFe, CoCu, CoNi) embedded nitrogen-doped carbon frameworks is developed through a facile and simple thermal conversion strategy of metal-doped zeolitic imidazolate frameworks. Thanks to collaborative superiorities of abundant M-N-C species, modulation action of secondary metal, cobalt-based electroactive phases, template effect of MOFs and unique porous structure, bimetal embedded nitrogen-doped carbon frameworks materials manifest good oxygen and hydrogen evolution catalytic activity. Especially, after modulating the species and molar ratio of metal sources, optimal Co0.75Fe0.25 nitrogen-doped carbon framework catalyst just requires a low overpotential of 303 mV to achieve 10 mA cm-2 with a low Tafel slope (39.49 mV dec-1) for oxygen evolution reaction, which even surpasses that of commercial RuO2. In addition, the optimal catalyst can function as an efficient bifunctional electrocatalyst for overall water splitting with satisfying activity and stability. This development offers an attractive direction for the rational design and fabrication of porous carbon materials for electrochemical energy applications.

  6. Toluene removal by oxidation reaction in spray wet scrubber: experimental, modeling and optimization

    Directory of Open Access Journals (Sweden)

    Roumporn Nikom

    2006-11-01

    Full Text Available Toluene, an important volatile organic compound (VOC, is used in many kinds of industries, such as painting, printing, coating, and petrochemical industries. The emission of toluene causes serious air pollution, odor problem, flammability problem and affects human health. This paper proposes the removal of toluene from waste air using a spray wet scrubber combining the absorption and oxidation reaction. Aqueous sodium hypochlorite (NaOCl solution was used as the scrubbing liquid in the system. NaOCl, the strongest oxidative agent, presents an effective toluene removal. As the scrubbed toluene is reacted, recirculation of the scrubbing liquid could be operated with a constant removal efficiency throughout the operting time. The investigated variables affecting the removal efficiency were air flow rate, inlet toluene concentration, NaOCl concentration, scrubbing liquid flow rate and size of spray nozzle. Influence of the scrubbing parameters was experimentally studied to develop a mathematical model of the toluene removal efficiency. The removal model reveals that the increase of scrubbing liquid flow rate, toluene concentration, and NaOCl concentration together with the decrease of air flow rate and size of spray nozzle can increase the toluene removal efficiency. Optimization problem with an objective function and constraints was set to provide the maximum toluene removal efficiency and solved by Matlab optimization toolbox. The optimization constraints were formed from the mathematical model and process limitation. The solution of the optimization was an air flow rate of 100 m3/h, toluene concentration of 1500 ppm, NaOCl concentration of 0.02 mol/l, NaOCl solution feed rate of 0.8 m3/h, and spray nozzle size of 0.5 mm. Solution of the optimization gave the highest toluene removal efficiency of 91.7%.

  7. Effect of Ti and C particle sizes on reaction behavior of thermal explosion reaction of Cu−Ti−C system under Ar and air atmospheres

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Yunhong; Zhao, Qian; Li, Xiujuan; Zhang, Zhihui, E-mail: zhzh@jlu.edu.cn; Ren, Luquan

    2016-09-15

    The thermal explosion (TE) reaction behavior of Cu−Ti−C systems with different Ti and C particle sizes was investigated under air and Ar atmospheres. It was found that increasing the Ti and C particle sizes leads to higher ignition temperatures under both atmospheres and that the maximum combustion temperature decreases with increasing C particle size. The TE reaction is much easier to activate (i.e., it has a lower ignition temperature) in air because of the heat released from Ti oxidation and nitridation and Cu oxidation reactions on the Cu−Ti−C compact surface. TiC ceramic particles are successfully prepared in the bulk Cu−Ti−C compacts under both air and Ar atmospheres through a dissolution-diffusion-precipitation mechanism. Differential thermal and thermodynamic analyses show that the TE reaction ignition process in air is mainly controlled by the Ti particle size. - Highlights: • Variation of Ti and C particle sizes affects thermal reaction (TE) behaviors. • Ignition temperature under air is much lower than that under Ar atmosphere. • Heat of oxidation and nitridation reactions reduces ignition temperature under air.

  8. Optimal operating conditions for maximum biogas production in anaerobic bioreactors

    International Nuclear Information System (INIS)

    Balmant, W.; Oliveira, B.H.; Mitchell, D.A.; Vargas, J.V.C.; Ordonez, J.C.

    2014-01-01

    The objective of this paper is to demonstrate the existence of optimal residence time and substrate inlet mass flow rate for maximum methane production through numerical simulations performed with a general transient mathematical model of an anaerobic biodigester introduced in this study. It is herein suggested a simplified model with only the most important reaction steps which are carried out by a single type of microorganisms following Monod kinetics. The mathematical model was developed for a well mixed reactor (CSTR – Continuous Stirred-Tank Reactor), considering three main reaction steps: acidogenesis, with a μ max of 8.64 day −1 and a K S of 250 mg/L, acetogenesis, with a μ max of 2.64 day −1 and a K S of 32 mg/L, and methanogenesis, with a μ max of 1.392 day −1 and a K S of 100 mg/L. The yield coefficients were 0.1-g-dry-cells/g-pollymeric compound for acidogenesis, 0.1-g-dry-cells/g-propionic acid and 0.1-g-dry-cells/g-butyric acid for acetogenesis and 0.1 g-dry-cells/g-acetic acid for methanogenesis. The model describes both the transient and the steady-state regime for several different biodigester design and operating conditions. After model experimental validation, a parametric analysis was performed. It was found that biogas production is strongly dependent on the input polymeric substrate and fermentable monomer concentrations, but fairly independent of the input propionic, acetic and butyric acid concentrations. An optimisation study was then conducted and optimal residence time and substrate inlet mass flow rate were found for maximum methane production. The optima found were very sharp, showing a sudden drop of methane mass flow rate variation from the observed maximum to zero, within a 20% range around the optimal operating parameters, which stresses the importance of their identification, no matter how complex the actual bioreactor design may be. The model is therefore expected to be a useful tool for simulation, design, control and

  9. Application of a DC–DC boost converter with maximum power point tracking for low power thermoelectric generators

    International Nuclear Information System (INIS)

    Mamur, Hayati; Ahiska, Rasit

    2015-01-01

    Highlights: • Charges with direct and MPPT conditions have been compared. • Perturb and observation method has been practically tested on a new TEG. • Matched load condition has been experimentally investigated. • To increase the efficiency of a TEG, the charge with MPPT should be used. • The charge with MPPT provides twice-fold increase in efficiency. - Abstract: Thermoelectric generators (TEGs) directly generate electrical power from the geothermal/waste heat as well as contribute to efficient usage of the energy. TEGs cannot be operated at full capacity without additional electronic equipments, since the internal resistances of TEGs are not equal to the device resistances connected across TEGs. For this reason, in this paper, the application of a DC–DC boost converter with maximum power point tracking (MPPT) based on microcontroller embedded in perturb and observe (P&O) algorithm has been proposed to obtain maximum power from a newly designed portable TEG (pTEG) in a real TEG system. The matched condition load for the pTEG has been experimentally investigated. Firstly, the pTEG has been directly charged to the battery pack, secondly it has been charged through the improved convertor with MPPT. In the first one, the pTEG operated with less efficiency than half of its full capacity, whereas, in the second, the pTEG operated efficiency near its full capacity

  10. INTEGRAL ASSESSMENT OF EFFICIENCY OF A FLEET OF AGRICULTURAL MACHINERY AND TRACTORS

    Directory of Open Access Journals (Sweden)

    V. M. Korotchenya

    2015-01-01

    Full Text Available An indicator for an integral assessment of efficiency of a fleet of agricultural machinery and tractors is proposed. Its calculating consists in multiplying partial efficiencies together: technical and price efficiency of agricultural production, and eco-efficiency of a fleet of agricultural machinery and tractors. Using an axiomatic method, the concept of efficiency of fleet was studied within broader category of productivity and in wider scales - within agriculture. The most general and obvious statements according to which efficiency of machine and tractor fleet is considered as indirectly settlement size counted proceeding from efficiency of agricultural production, were accepted as axioms. In general, efficiency is a ratio between productivity of an object in question and that of the theoretical ideal or an object with maximum productivity efficiency of which is accepted equal to unity or 100%. Technical efficiency of agricultural production characterizes the ability of an agricultural sector to produce the technically maximum output of agricultural produce obtained from the available resources (land, labor, machines, etc.. Price efficiency evaluates the ability of an agricultural sector to produce output of agricultural produce with regard to employing the optimal mix of resources given their prices. Because the theoretical ideal does not exist, efficiency of an agricultural sector, e.g. in Russia and of its fleet of agricultural machinery and tractors, is measured against agriculture of another country with maximum productivity efficiency of which is accepted as equal to unity or 100 percent. The calculation can be made on the basis of the Data Envelopment Analysis method. It is possible to calculate price and economic efficiency of Russian agriculture (fleet of agricultural machinery and tractors due to use its domestic prices.

  11. A Multilevel Adaptive Reaction-splitting Simulation Method for Stochastic Reaction Networks

    KAUST Repository

    Moraes, Alvaro; Tempone, Raul; Vilanova, Pedro

    2016-01-01

    In this work, we present a novel multilevel Monte Carlo method for kinetic simulation of stochastic reaction networks characterized by having simultaneously fast and slow reaction channels. To produce efficient simulations, our method adaptively classifies the reactions channels into fast and slow channels. To this end, we first introduce a state-dependent quantity named level of activity of a reaction channel. Then, we propose a low-cost heuristic that allows us to adaptively split the set of reaction channels into two subsets characterized by either a high or a low level of activity. Based on a time-splitting technique, the increments associated with high-activity channels are simulated using the tau-leap method, while those associated with low-activity channels are simulated using an exact method. This path simulation technique is amenable for coupled path generation and a corresponding multilevel Monte Carlo algorithm. To estimate expected values of observables of the system at a prescribed final time, our method bounds the global computational error to be below a prescribed tolerance, TOL, within a given confidence level. This goal is achieved with a computational complexity of order O(TOL-2), the same as with a pathwise-exact method, but with a smaller constant. We also present a novel low-cost control variate technique based on the stochastic time change representation by Kurtz, showing its performance on a numerical example. We present two numerical examples extracted from the literature that show how the reaction-splitting method obtains substantial gains with respect to the standard stochastic simulation algorithm and the multilevel Monte Carlo approach by Anderson and Higham. © 2016 Society for Industrial and Applied Mathematics.

  12. A Multilevel Adaptive Reaction-splitting Simulation Method for Stochastic Reaction Networks

    KAUST Repository

    Moraes, Alvaro

    2016-07-07

    In this work, we present a novel multilevel Monte Carlo method for kinetic simulation of stochastic reaction networks characterized by having simultaneously fast and slow reaction channels. To produce efficient simulations, our method adaptively classifies the reactions channels into fast and slow channels. To this end, we first introduce a state-dependent quantity named level of activity of a reaction channel. Then, we propose a low-cost heuristic that allows us to adaptively split the set of reaction channels into two subsets characterized by either a high or a low level of activity. Based on a time-splitting technique, the increments associated with high-activity channels are simulated using the tau-leap method, while those associated with low-activity channels are simulated using an exact method. This path simulation technique is amenable for coupled path generation and a corresponding multilevel Monte Carlo algorithm. To estimate expected values of observables of the system at a prescribed final time, our method bounds the global computational error to be below a prescribed tolerance, TOL, within a given confidence level. This goal is achieved with a computational complexity of order O(TOL-2), the same as with a pathwise-exact method, but with a smaller constant. We also present a novel low-cost control variate technique based on the stochastic time change representation by Kurtz, showing its performance on a numerical example. We present two numerical examples extracted from the literature that show how the reaction-splitting method obtains substantial gains with respect to the standard stochastic simulation algorithm and the multilevel Monte Carlo approach by Anderson and Higham. © 2016 Society for Industrial and Applied Mathematics.

  13. Mn-doped NiP2 nanosheets as an efficient electrocatalyst for enhanced hydrogen evolution reaction at all pH values

    Science.gov (United States)

    Wang, Xiaodeng; Zhou, Hongpeng; Zhang, Dingke; Pi, Mingyu; Feng, Jiajia; Chen, Shijian

    2018-05-01

    Developing stable and high-efficiency hydrogen generation electrocatalysts, particularly for the cathode hydrogen evolution reaction (HER), is an urgent challenge in energy conversion technologies. In this work, we have successfully synthesized Mn-doped NiP2 nanosheets on carbon cloth (Mn-NiP2 NSs/CC), which behaves as a higher efficient three dimensional HER electrocatalyst with better stability at all pH values than pure NiP2. Electrochemical tests demonstrate that the catalytic activity of NiP2 is enhanced by Mn doping. In 0.5 M H2SO4, this Mn-NiP2 NSs/CC catalyst drives 10 mA cm-2 at an overpotential of 69 mV, which is 20 mV smaller than pure NiP2. To achieve the same current density, it demands overpotentials of 97 and 107 mV in 1.0 M KOH and phosphate-buffered saline (PBS), respectively. Compared with pure NiP2, higher HER electrocatalytic performance for Mn-NiP2 NSs/CC can be attributed to its lower thermo-neutral hydrogen adsorption free energy, which is supported by density functional theory calculations.

  14. Energy efficiency in pumps

    International Nuclear Information System (INIS)

    Kaya, Durmus; Yagmur, E. Alptekin; Yigit, K. Suleyman; Kilic, Fatma Canka; Eren, A. Salih; Celik, Cenk

    2008-01-01

    In this paper, 'energy efficiency' studies, done in a big industrial facility's pumps, are reported. For this purpose; the flow rate, pressure and temperature have been measured for each pump in different operating conditions and at maximum load. In addition, the electrical power drawn by the electric motor has been measured. The efficiencies of the existing pumps and electric motor have been calculated by using the measured data. Potential energy saving opportunities have been studied by taking into account the results of the calculations for each pump and electric motor. As a conclusion, improvements should be made each system. The required investment costs for these improvements have been determined, and simple payback periods have been calculated. The main energy saving opportunities result from: replacements of the existing low efficiency pumps, maintenance of the pumps whose efficiencies start to decline at certain range, replacements of high power electric motors with electric motors that have suitable power, usage of high efficiency electric motors and elimination of cavitation problems

  15. Hierarchical Nickel Sulfide Coated Halloysite Nanotubes For Efficient Energy Storage

    International Nuclear Information System (INIS)

    Li, Yanan; Zhou, Jie; Liu, Yun; Tang, Jian; Tang, Weihua

    2017-01-01

    Highlights: •An integration strategy was presented to construct Ni 3 S 2 based hierarchical composite. •Nanowhisker Ni 3 S 2 were densely integrated onto halloysite nanotubes. •The well-designed electrode exhibits remarkable capacitance and cycling stability. •This strategy provides good reference to electrode materials design for energy storage -- Abstract: Cost-effective and robust energy storage systems have attracted great attention for portable electronic devices. Three-dimensional electrodes can effectively enhance the charge transfer, increase the mechanical stability and thus improve the electrochemical performance upon continuous charge-discharge. The earth abundant halloysite nanotubes (HNTs) have shown immense potential in constructing nanoarchitectural composites. Here, we first demonstrate the development of hybrid composite of nickel sulfide (Ni 3 S 2 ) and HNTs with glucose as binders for efficient energy storage in supercapacitor. The surface sulfhydrylation of HNTs and glucose-assisted hydrothermal reaction are crucial for the preparation of well-structured composite. Due to the synergistic effect between components, the Ni 3 S 2 /HNTs@HS composite electrode delivers a capacity of 450.4C g −1 and high retention of 82.6% over 2000 cycles in three-electrode supercapacitors. Moreover, the Ni 3 S 2 /HNTs@HS//Whatman paper//Ni 3 S 2 /HNTs@HS two-electrode symmetric supercapacitor exhibits a maximum potential window of 1.3 V, with a capacity of 250C g −1 and performance loss of only 18.2% over 2000 cycling at 1 A g −1 . A maximum energy density of 79.6 Wh kg −1 is achieved at a power density of 1.03 kW kg −1 . Such excellent energy storage performance suggests the great potential of Ni 3 S 2 /HNTs@HS for high-efficiency energy storage systems.

  16. Studying the effect of graphene-ZnO nanocomposites on polymerase chain reaction

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Vinay, E-mail: winn201@gmail.com; Rajaura, Rajveer; Sharma, Preetam Kumar; Srivastava, Rishabh Ronin [Centre for Converging Technologies, University of Rajasthan, Jaipur 302004 (India); Sharma, Shyam Sundar [Govt. women Engineering College, Ajmer (India); Agrawal, Kailash [Centre for Converging Technologies, University of Rajasthan, Jaipur 302004 (India); Department of Botany, University of Rajasthan, Jaipur 302004 (India)

    2016-05-06

    An emerging area of research is improving the efficiency of the polymerase chain reaction (PCR) by using nanoparticles. With graphene nano-flakes showing promising results, in this paper we report the effect of Graphene-ZnO nanocomposites on Polymerase Chain reaction (PCR) efficiency. G-ZnO nanocomposites were efficiently synthesized via in situ chemical method. Transmission electron microscopy (TEM) and scanning electron microscopy (SEM) image confirms the formation of nanocomposites. ZnO nanoparticles of size range ~20-30 nm are uniformly attached on the graphene sheets. No amplification during PCR indicates inhibitory activity of G-ZnO nanocomposites which points the fingers at ZnO moiety of the G-ZnO composite for no amplification during our PCR reaction. Further work should concentrate on finding out the main inhibitory mechanism involved in inhibition of PCR using G-ZnO composites.

  17. Making Conditional Cash Transfer Programs More Efficient : Designing for Maximum Effect of the Conditionality

    OpenAIRE

    de Janvry, Alain; Sadoulet, Elisabeth

    2006-01-01

    Conditional cash transfer programs are now used extensively to encourage poor parents to increase investments in their children's human capital. These programs can be large and expensive, motivating a quest for greater efficiency through increased impact of the programs' imposed conditions on human capital formation. This requires designing the programs' targeting and calibration rules spe...

  18. Rare events via multiple reaction channels sampled by path replica exchange

    NARCIS (Netherlands)

    Bolhuis, P.G.

    2008-01-01

    Transition path sampling (TPS) was developed for studying activated processes in complex systems with unknown reaction coordinate. Transition interface sampling (TIS) allows efficient evaluation of the rate constants. However, when the transition can occur via more than one reaction channel

  19. Coulomb dissociation studies for astrophysical thermonuclear reactions

    Energy Technology Data Exchange (ETDEWEB)

    Motobayashi, T [Dept. of Physics, Rikkyo Univ., Toshima, Tokyo (Japan)

    1998-06-01

    The Coulomb dissociation method was applied to several radiative capture processes of astrophysical interest. The method has an advantage of high experimental efficiency, which allow measurements with radioactive nuclear beams. The reactions {sup 13}N(p,{gamma}){sup 14}O and {sup 7}Be(p,{gamma}){sup 8}B are mainly discussed. They are the key reaction in the hot CNO cycle in massive stars and the one closely related to the solar neutrino problem, respectively. (orig.)

  20. Catalytic process for tritium exchange reaction

    International Nuclear Information System (INIS)

    Hansoo Lee; Kang, H.S.; Paek, S.W.; Hongsuk Chung; Yang Geun Chung; Sook Kyung Lee

    2001-01-01

    The catalytic activities for a hydrogen isotope exchange were measured through the reaction of a vapor and gas mixture. The catalytic activity showed to be comparable with the published data. Since the gas velocity is relatively low, the deactivation was not found clearly during the 5-hour experiment. Hydrogen isotope transfer experiments were also conducted through the liquid phase catalytic exchange reaction column that consisted of a catalytic bed and a hydrophilic bed. The efficiencies of both the catalytic and hydrophilic beds were higher than 0.9, implying that the column performance was excellent. (author)

  1. Synthesis and characterization of reactions by nanoferrites Co2Fe2O4 combustion

    International Nuclear Information System (INIS)

    Santos, P.T.A.; Dantas, B.B.; Costa, A.C.F.M.; Araujo, P.M.A.G.

    2012-01-01

    In this work CoFe 2 O 4 of magnetic nanoparticles were synthesized by combustion reaction and the structural and morphological characteristics of the synthesized samples as well as the parameters of synthesis temperature and reaction time were investigated in order to assess the reproducibility of the synthesis. The maximum temperature and time of the combustion flame were obtained with pyrometer coupled to a computer with online measurement and a stopwatch. The resulting samples were characterized by X-ray diffraction (XRD), infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). The maximum temperature achieved during synthesis for all reactions ranged from 623 deg C and 755 deg C. The combustion flame time varied between 18 and 23 seconds. The XRD showed the formation of only CoFe 2 O 4 inverse spinel phase, with crystallite size 28 nm and crystallinity 78%, with typical morphology of the formation of agglomerates of uniform size, brittle and comprising nanoparticles together by weak forces. (author)

  2. Reaction of carbohydrates with Vilsmeier reagent

    DEFF Research Database (Denmark)

    Thota, Niranjan; Mukherjee, Debaraj; Reddy, Mallepally Venkat

    2009-01-01

    A convenient and efficient method for selective replacement of the primary hydroxyl groups of sugars by chlorine with concomitant O-formylation, compatible with the presence of a variety of functional groups, has been developed using the Vilsmeier-Haack reaction. Sugars having free primary hydrox...

  3. Measurement of the efficient cross section of the reaction 7Be(p, γ)8B at low energies and implications in the problem of solar neutrinos

    International Nuclear Information System (INIS)

    Hammache, Fairouz

    1999-01-01

    The 8 B produced inside the sun through the reaction 7 Be(p,γ) 8 B is the main, and even unique, source of high energy neutrinos detected in most solar neutrino detection experiments, except with Gallex and Sage. These experiments have all measured a neutrinos flux lower than the one predicted by solar models. Several explanations have been proposed to explain this deficit, but all require a precise knowledge of the efficient cross-section of the reaction 7 Be(p,γ) 8 B, because the neutrinos flux of 8 B is directly proportional to this reaction. The direct measurement of this cross section for the solar energy is impossible because of its low value (about 1 femto-barn). In order to get round this problem, the cross sections are measured at higher energy and extrapolated to the solar energy using a theoretical energy dependence. The 6 previous experimental determinations of the efficient cross section were shared in two distinct groups with differences of about 30% which leads to an uncertainty of the same order on the high energy neutrinos flux. The re-measurement of the cross section of this reaction with a better precision is thus of prime importance. A direct measurement of the cross section in the energy range comprised between 0.35 and 1.4 MeV (cm) has been performed first. These experiments have permitted the precise measurement of each parameter involved in the determination of the cross section. Then, measurements of the cross section have been carried out with the PAPAP accelerator at 185.8, 134.7 and 111.7 keV, the lowest mass center energy never reached before. The results are in excellent agreement with those obtained at higher energies. The value obtained by extrapolation of these data for the astrophysical factor S 17 (0) is 19.21.3 EV-B, which leads to a significant reduction of the uncertainty on the high energy neutrinos flux of 8 B. (J.S.)

  4. HIGH JET EFFICIENCY AND SIMULATIONS OF BLACK HOLE MAGNETOSPHERES

    International Nuclear Information System (INIS)

    Punsly, Brian

    2011-01-01

    This Letter reports on a growing body of observational evidence that many powerful lobe-dominated (FR II) radio sources likely have jets with high efficiency. This study extends the maximum efficiency line (jet power ∼25 times the thermal luminosity) defined in Fernandes et al. so as to span four decades of jet power. The fact that this line extends over the full span of FR II radio power is a strong indication that this is a fundamental property of jet production that is independent of accretion power. This is a valuable constraint for theorists. For example, the currently popular 'no-net-flux' numerical models of black hole accretion produce jets that are two to three orders of magnitude too weak to be consistent with sources near maximum efficiency.

  5. Complex Chemical Reaction Networks from Heuristics-Aided Quantum Chemistry.

    Science.gov (United States)

    Rappoport, Dmitrij; Galvin, Cooper J; Zubarev, Dmitry Yu; Aspuru-Guzik, Alán

    2014-03-11

    While structures and reactivities of many small molecules can be computed efficiently and accurately using quantum chemical methods, heuristic approaches remain essential for modeling complex structures and large-scale chemical systems. Here, we present a heuristics-aided quantum chemical methodology applicable to complex chemical reaction networks such as those arising in cell metabolism and prebiotic chemistry. Chemical heuristics offer an expedient way of traversing high-dimensional reactive potential energy surfaces and are combined here with quantum chemical structure optimizations, which yield the structures and energies of the reaction intermediates and products. Application of heuristics-aided quantum chemical methodology to the formose reaction reproduces the experimentally observed reaction products, major reaction pathways, and autocatalytic cycles.

  6. Efficient Resource Management in Cloud Computing

    OpenAIRE

    Rushikesh Shingade; Amit Patil; Shivam Suryawanshi; M. Venkatesan

    2015-01-01

    Cloud computing, one of the widely used technology to provide cloud services for users who are charged for receiving services. In the aspect of a maximum number of resources, evaluating the performance of Cloud resource management policies are difficult to optimize efficiently. There are different simulation toolkits available for simulation and modelling the Cloud computing environment like GridSim CloudAnalyst, CloudSim, GreenCloud, CloudAuction etc. In proposed Efficient Resource Manage...

  7. Energy efficiency in Norway (1997). Cross Country Comparison on Energy Efficiency Indicators - Phase 5

    Energy Technology Data Exchange (ETDEWEB)

    Alm, Leif Kristian

    2000-02-01

    This is the national report for Norway in phase 5 of the SAVE project 'Cross country comparison of energy efficiency indicators'. The report deals with energy use and energy efficiency in Norway the last 20 years, with a special emphasis on the period after 1990. A detailed sector analysis has been done, applying Laspeyres indices to attribute changes in energy use to either activity, structure or intensity (efficiency). Aggregating sectors, we have found a total efficiency improvement of maximum 7-8 TWH from 1990 to 1997. This corresponds to a saving of 0.5% per year. In the same period, final energy use per Gross Domestic Product (GDP) was reduced by approx 2.4% per year. Thereby most of the reduction in final energy intensity can not be attributed to increased energy efficiency. Almost all data are taken from official Norwegian statistics (Statistics Norway). (author)

  8. Exfoliated Pd/HNb{sub 3}O{sub 8} nanosheet as highly efficient bifunctional catalyst for one-pot cascade reaction

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Nahaeng; Chung, Young-Min, E-mail: ymchung@kunsan.ac.kr

    2016-05-01

    Graphical abstract: - Highlights: • Ultrathin and highly acidic HNb{sub 3}O{sub 8} nanosheet was prepared by exfoliation of layered niobium oxide. • Pd/HNb{sub 3}O{sub 8} nanosheet showed excellent catalytic performance for one-pot cascade reaction. • The reaction performance of Pd/HNb{sub 3}O{sub 8} nanosheet is 7.1 and 1.2 times higher than that of layered Pd/KNb{sub 3}O{sub 8} or Pd/HNb{sub 3}O{sub 8}, respectively. • Significant promoting effect of support acidity on the reaction performance was observed. - Abstract: Ultrathin two-dimensional metal oxide nanosheets have drawn attention as potential solid acid catalysts owing to their strong acidity, attributed to the bridged OH groups formed on the nanosheets. In this study, a new class of bifunctional acid–metal catalyst was realized by the deposition of Pd on layered niobium oxide (KNb{sub 3}O{sub 8} and HNb{sub 3}O{sub 8}) or its exfoliated nanosheet (Pd/HNb{sub 3}O{sub 8}-NS) and applied to one-pot cascade deacetalization and hydrogenation. It was found that the acid strength of the support exerted a large influence not only on the promotion of the first deacetalization step, but also on the acceleration of the subsequent hydrogenation step. Comparative experiments using a series of Pd/HZSM-5 catalysts with different acidities reconfirmed the crucial role of acid strength on hydrogenation. However, the superior catalytic activity of Pd/HNb{sub 3}O{sub 8}-NS for hydrogenation compared to that of Pd/HZSM-5 of similar acidity suggests a more efficient ensemble effect of the strong acid sites with the nearby metal sites on the nanosheet surface. Among the catalysts used, Pd/HNb{sub 3}O{sub 8}-NS showed the best catalytic performance for one-pot cascade reaction affording the desired product (benzyl alcohol) in approximately 92% yield, which was 7.1 and 1.2 times higher than that of layered Pd/KNb{sub 3}O{sub 8} or Pd/HNb{sub 3}O{sub 8}, respectively. The excellent catalytic performance of Pd/HNb{sub 3

  9. Fusion and nonfusion phenomena in the 6Li+40Ca reaction at 156 MeV

    International Nuclear Information System (INIS)

    Brzychczyk, J.; Freindl, L.; Grotowski, K.

    1982-01-01

    Reaction products from 6 Li-induced reactions on 40 Ca at 156 MeV have been studied using the dE x E identification as well as the inclusive γ-ray method. The complete fusion cross-section has been found to be σsub(f)=(77 +- 11)mb. The Z distribution of fusion evaporation residues is compared with statistical model predictions. The Z spectrum of reaction products shows a maximum at 15 6 Li break-up. (author)

  10. Fusion and nonfusion phenomena in the 6Li+40Ca reaction at 156 MeV

    International Nuclear Information System (INIS)

    Brzychczyk, J.; Freindl, L.; Grotowski, K.; Majka, Z.; Micek, S.; Planeta, R.; Uniwersytet Jagiellonski, Krakow; Albinska, M.; Buschmann, J.; Klewe-Nebenius, H.; Gils, H.J.; Rebel, H.; Zagromski, S.

    1984-01-01

    Reaction products from 6 Li-induced reactions on 40 Ca at 156 MeV have been studied using the dExE idenitification as well as the inclusive γ-ray method. The complete fusion cross section has been found to be sigmasub(F)=67 +- 20 mb. The Z-distribution of fusion evaporation residues is compared with statistical model predictions. The Z-spectrum of reaction products shows a maximum at 15 6 Li-break-up processes. (orig.)

  11. Maximum concentrations at work and maximum biologically tolerable concentration for working materials 1991

    International Nuclear Information System (INIS)

    1991-01-01

    The meaning of the term 'maximum concentration at work' in regard of various pollutants is discussed. Specifically, a number of dusts and smokes are dealt with. The valuation criteria for maximum biologically tolerable concentrations for working materials are indicated. The working materials in question are corcinogeneous substances or substances liable to cause allergies or mutate the genome. (VT) [de

  12. The nuclear structure and low-energy reactions (NSLER) collaboration

    International Nuclear Information System (INIS)

    Dean, D J

    2006-01-01

    The long-term vision of the Nuclear Structure and Low-Energy Reactions (NSLER) collaboration is to arrive at a comprehensive and unified description of nuclei and their reactions that is grounded in the interactions between the constituent nucleons. For this purpose, we will develop a universal energy density functional for nuclei and replace current phenomenological models of nuclear structure and reactions with a well-founded microscopic theory that will deliver maximum predictive power with minimal uncertainties that are well quantified. Nuclear structure and reactions play an essential role in the science to be investigated at rare isotope facilities, and in nuclear physics applications to the Science-Based Stockpile Stewardship Program, next-generation reactors, and threat reduction. We anticipate an expansion of the computational techniques and methods we currently employ, and developments of new treatments, to take advantage of petascale architectures and demonstrate the capability of the leadership class machines to deliver new science heretofore impossible

  13. Fast and quantitative differentiation of single-base mismatched DNA by initial reaction rate of catalytic hairpin assembly.

    Science.gov (United States)

    Li, Chenxi; Li, Yixin; Xu, Xiao; Wang, Xinyi; Chen, Yang; Yang, Xiaoda; Liu, Feng; Li, Na

    2014-10-15

    The widely used catalytic hairpin assembly (CHA) amplification strategy generally needs several hours to accomplish one measurement based on the prevailingly used maximum intensity detection mode, making it less practical for assays where high throughput or speed is desired. To make the best use of the kinetic specificity of toehold domain for circuit reaction initiation, we developed a mathematical model and proposed an initial reaction rate detection mode to quantitatively differentiate the single-base mismatch. Using the kinetic mode, assay time can be reduced substantially to 10 min for one measurement with the comparable sensitivity and single-base mismatch differentiating ability as were obtained by the maximum intensity detection mode. This initial reaction rate based approach not only provided a fast and quantitative differentiation of single-base mismatch, but also helped in-depth understanding of the CHA system, which will be beneficial to the design of highly sensitive and specific toehold-mediated hybridization reactions. Copyright © 2014 Elsevier B.V. All rights reserved.

  14. 40 CFR 1042.140 - Maximum engine power, displacement, power density, and maximum in-use engine speed.

    Science.gov (United States)

    2010-07-01

    ... cylinders having an internal diameter of 13.0 cm and a 15.5 cm stroke length, the rounded displacement would... 40 Protection of Environment 32 2010-07-01 2010-07-01 false Maximum engine power, displacement... Maximum engine power, displacement, power density, and maximum in-use engine speed. This section describes...

  15. Time-varying span efficiency through the wingbeat of desert locusts.

    Science.gov (United States)

    Henningsson, Per; Bomphrey, Richard J

    2012-06-07

    The flight performance of animals depends greatly on the efficacy with which they generate aerodynamic forces. Accordingly, maximum range, load-lifting capacity and peak accelerations during manoeuvres are all constrained by the efficiency of momentum transfer to the wake. Here, we use high-speed particle image velocimetry (1 kHz) to record flow velocities in the near wake of desert locusts (Schistocerca gregaria, Forskål). We use the measured flow fields to calculate time-varying span efficiency throughout the wing stroke cycle. The locusts are found to operate at a maximum span efficiency of 79 per cent, typically at a plateau of about 60 per cent for the majority of the downstroke, but at lower values during the upstroke. Moreover, the calculated span efficiencies are highest when the largest lift forces are being generated (90% of the total lift is generated during the plateau of span efficiency) suggesting that the combination of wing kinematics and morphology in locust flight perform most efficiently when doing the most work.

  16. A variable reaction rate model for chlorine decay in drinking water due to the reaction with dissolved organic matter.

    Science.gov (United States)

    Hua, Pei; Vasyukova, Ekaterina; Uhl, Wolfgang

    2015-05-15

    A second order kinetic model for simulating chlorine decay in bulk water due to the reaction with dissolved organic matter (DOM) was developed. It takes into account the decreasing reactivity of dissolved organic matter using a variable reaction rate coefficient (VRRC) which decreases with an increasing conversion. The concentration of reducing species is surrogated by the maximum chlorine demand. Temperature dependency, respectively, is described by the Arrhenius-relationship. The accuracy and adequacy of the proposed model to describe chlorine decay in bulk water were evaluated and shown for very different waters and different conditions such as water mixing or rechlorination by applying statistical tests. It is thus very well suited for application in water quality modeling for distribution systems. Copyright © 2015 Elsevier Ltd. All rights reserved.

  17. Credal Networks under Maximum Entropy

    OpenAIRE

    Lukasiewicz, Thomas

    2013-01-01

    We apply the principle of maximum entropy to select a unique joint probability distribution from the set of all joint probability distributions specified by a credal network. In detail, we start by showing that the unique joint distribution of a Bayesian tree coincides with the maximum entropy model of its conditional distributions. This result, however, does not hold anymore for general Bayesian networks. We thus present a new kind of maximum entropy models, which are computed sequentially. ...

  18. Microwave-assisted Maillard reactions for the preparation of advanced glycation end products (AGEs).

    Science.gov (United States)

    Visentin, Sonja; Medana, Claudio; Barge, Alessandro; Giancotti, Valeria; Cravotto, Giancarlo

    2010-05-21

    The application of microwaves as an efficient form of volumetric heating to promote organic reactions was recognized in the mid-1980 s. It has a much longer history in the food research and industry where microwave irradiation was studied in depth to optimize food browning and the development of desirable flavours from Maillard reactions. The microwave-promoted Maillard reaction is a challenging synthetic method to generate molecular diversity in a straightforward way. In this paper we present a new rapid and efficient one-pot procedure for the preparation of pentosidine and other AGEs under microwave irradiation.

  19. Combined Conformal Strongly-Coupled Magnetic Resonance for Efficient Wireless Power Transfer

    Directory of Open Access Journals (Sweden)

    Matjaz Rozman

    2017-04-01

    Full Text Available This paper proposes a hybrid circuit between a conformal strongly-coupled magnetic resonance (CSCMR and a strongly-coupled magnetic resonance (SCMR, for better wireless power transmission (WPT. This combination promises to enhance the flexibility of the proposed four-loop WPT system. The maximum efficiency at various distances is achieved by combining coupling-matching between the source and transmitting coils along with the coupling factor between the transmitting and receiving coils. Furthermore, the distance between transmitting and receiving coils is investigated along with the distance relationship between the source loop and transmission coil, in order to achieve the maximum efficiency of the proposed hybrid WPT system. The results indicate that the proposed approach can be effectively employed at distances comparatively smaller than the maximum distance without frequency matching. The achievable efficiency can be as high as 84% for the whole working range of the transmitter. In addition, the proposed hybrid system allows more spatial freedom compared to existing chargers.

  20. Optimization of a regenerative Brayton cycle by maximization of a newly defined second law efficiency

    NARCIS (Netherlands)

    Haseli, Y.

    2013-01-01

    The idea is to find out whether 2nd law efficiency optimization may be a suitable trade-off between maximum work output and maximum 1st law efficiency designs for a regenerative gas turbine engine operating on the basis of an open Brayton cycle. The primary emphasis is placed on analyzing the ideal

  1. Maximum Entropy in Drug Discovery

    Directory of Open Access Journals (Sweden)

    Chih-Yuan Tseng

    2014-07-01

    Full Text Available Drug discovery applies multidisciplinary approaches either experimentally, computationally or both ways to identify lead compounds to treat various diseases. While conventional approaches have yielded many US Food and Drug Administration (FDA-approved drugs, researchers continue investigating and designing better approaches to increase the success rate in the discovery process. In this article, we provide an overview of the current strategies and point out where and how the method of maximum entropy has been introduced in this area. The maximum entropy principle has its root in thermodynamics, yet since Jaynes’ pioneering work in the 1950s, the maximum entropy principle has not only been used as a physics law, but also as a reasoning tool that allows us to process information in hand with the least bias. Its applicability in various disciplines has been abundantly demonstrated. We give several examples of applications of maximum entropy in different stages of drug discovery. Finally, we discuss a promising new direction in drug discovery that is likely to hinge on the ways of utilizing maximum entropy.

  2. Linked-cone DEA profit ratios and technical efficiency with application to Illinois coal mines

    Energy Technology Data Exchange (ETDEWEB)

    Thompson, R.G.; Dharmapala, P.S.; Thrall, R.M. [University of Houston, Houston, TX (United States). Dept. of Decision and Information Sciences

    1995-04-01

    The authors develop a theory stating that Data Envelopment Analysis (DEA) profit ratios and technical efficiency measures require separate treatment. This point is illustrated by analysis of an example problem; showing that DEA technical efficiency does not necessarily imply a DEA maximum profit ratio; and that a DEA maximum profit ratio does not necessarily imply DEA technical efficiency. The mathematical framework underlying this argument is provided. Application of the concepts to Illinois coal mining data lends support to the need for separate treatment of DEA technical efficiency and DEA profit ratios. 31 refs., 4 figs., 9 tabs.

  3. Linked-cone DEA profit ratios and technical efficiency with application to Illinois coal mines

    International Nuclear Information System (INIS)

    Thompson, R.G.; Dharmapala, P.S.; Thrall, R.M.

    1995-01-01

    The authors develop a theory stating that Data Envelopment Analysis (DEA) profit ratios and technical efficiency measures require separate treatment. This point is illustrated by analysis of an example problem; showing that DEA technical efficiency does not necessarily imply a DEA maximum profit ratio; and that a DEA maximum profit ratio does not necessarily imply DEA technical efficiency. The mathematical framework underlying this argument is provided. Application of the concepts to Illinois coal mining data lends support to the need for separate treatment of DEA technical efficiency and DEA profit ratios. 31 refs., 4 figs., 9 tabs

  4. Segmented detector for recoil neutrons in the p(γ, n)π+ reaction

    International Nuclear Information System (INIS)

    Korkmaz, E.; O'Rielly, G.V.; Hutcheon, D.A.; Feldman, G.; Jordan, D.; Kolb, N.R.; Pywell, R.E.; Retzlaff, G.A.; Sawatzky, B.D.; Skopik, D.M.; Vogt, J.M.; Cairns, E.; Giesen, U.; Holm, L.; Opper, A.K.; Rozon, F.M.; Soukup, J.

    1999-01-01

    A segmented neutron detector has been constructed and used for recoil neutron (6-13 MeV) measurements of the reaction γp→nπ + very close to threshold. BC-505 liquid scintillator was used to allow pulse shape discrimination between neutrons and photons. A measurement of the absolute efficiency of the detector was performed using stopped pions in the reaction π - p→nγ. Results of the efficiency calibration are compared to a Monte Carlo simulation. (author)

  5. Petroleum production at Maximum Efficient Rate Naval Petroleum Reserve No. 1 (Elk Hills), Kern County, California. Final Supplemental Environmental Impact Statement

    Energy Technology Data Exchange (ETDEWEB)

    1993-07-01

    This document provides an analysis of the potential impacts associated with the proposed action, which is continued operation of Naval Petroleum Reserve No. I (NPR-1) at the Maximum Efficient Rate (MER) as authorized by Public law 94-258, the Naval Petroleum Reserves Production Act of 1976 (Act). The document also provides a similar analysis of alternatives to the proposed action, which also involve continued operations, but under lower development scenarios and lower rates of production. NPR-1 is a large oil and gas field jointly owned and operated by the federal government and Chevron U.SA Inc. (CUSA) pursuant to a Unit Plan Contract that became effective in 1944; the government`s interest is approximately 78% and CUSA`s interest is approximately 22%. The government`s interest is under the jurisdiction of the United States Department of Energy (DOE). The facility is approximately 17,409 acres (74 square miles), and it is located in Kern County, California, about 25 miles southwest of Bakersfield and 100 miles north of Los Angeles in the south central portion of the state. The environmental analysis presented herein is a supplement to the NPR-1 Final Environmental Impact Statement of that was issued by DOE in 1979 (1979 EIS). As such, this document is a Supplemental Environmental Impact Statement (SEIS).

  6. Maximizing Output Power of a Solar Panel via Combination of Sun Tracking and Maximum Power Point Tracking by Fuzzy Controllers

    Directory of Open Access Journals (Sweden)

    Mohsen Taherbaneh

    2010-01-01

    Full Text Available In applications with low-energy conversion efficiency, maximizing the output power improves the efficiency. The maximum output power of a solar panel depends on the environmental conditions and load profile. In this paper, a method based on simultaneous use of two fuzzy controllers is developed in order to maximize the generated output power of a solar panel in a photovoltaic system: fuzzy-based sun tracking and maximum power point tracking. The sun tracking is performed by changing the solar panel orientation in horizontal and vertical directions by two DC motors properly designed. A DC-DC converter is employed to track the solar panel maximum power point. In addition, the proposed system has the capability of the extraction of solar panel I-V curves. Experimental results present that the proposed fuzzy techniques result in increasing of power delivery from the solar panel, causing a reduction in size, weight, and cost of solar panels in photovoltaic systems.

  7. Fused Methoxynaphthyl Phenanthrimidazole Semiconductors as Functional Layer in High Efficient OLEDs.

    Science.gov (United States)

    Jayabharathi, Jayaraman; Ramanathan, Periyasamy; Karunakaran, Chockalingam; Thanikachalam, Venugopal

    2016-01-01

    Efficient hole transport materials based on novel fused methoxynaphthyl phenanthrimidazole core structure were synthesised and characterized. Their device performances in phosphorescent organic light emitting diodes were investigated. The high thermal stability in combination with the reversible oxidation process made promising candidates as hole-transporting materials for organic light-emitting devices. Highly efficient Alq3-based organic light emitting devices have been developed using phenanthrimidazoles as functional layers between NPB [4,4-bis(N-(1-naphthyl)-N-phenylamino)biphenyl] and Alq3 [tris(8-hydroxyquinoline)aluminium] layers. Using the device of ITO/NPB/4/Alq3/LiF/Al, a maximum luminous efficiency of 5.99 cd A(-1) was obtained with a maximum brightness of 40,623 cd m(-2) and a power efficiency of 5.25 lm W(-1).

  8. Maximum Quantum Entropy Method

    OpenAIRE

    Sim, Jae-Hoon; Han, Myung Joon

    2018-01-01

    Maximum entropy method for analytic continuation is extended by introducing quantum relative entropy. This new method is formulated in terms of matrix-valued functions and therefore invariant under arbitrary unitary transformation of input matrix. As a result, the continuation of off-diagonal elements becomes straightforward. Without introducing any further ambiguity, the Bayesian probabilistic interpretation is maintained just as in the conventional maximum entropy method. The applications o...

  9. Drift mechanism of mass transfer on heterogeneous reaction in crystalline silicon substrate

    Energy Technology Data Exchange (ETDEWEB)

    Kukushkin, S.A. [Institute of Problems of Mechanical Engineering, Russian Academy of Science, St Petersburg, 199178 (Russian Federation); St. Petersburg National Research University of Information Technologies, Mechanics and Optics, 197101 (Russian Federation); Osipov, A.V., E-mail: Andrey.V.Osipov@gmail.com [Institute of Problems of Mechanical Engineering, Russian Academy of Science, St Petersburg, 199178 (Russian Federation); St. Petersburg National Research University of Information Technologies, Mechanics and Optics, 197101 (Russian Federation)

    2017-05-01

    This work aims to study the pressure dependence of the thickness of the epitaxial silicon carbide film growing from crystalline silicon due to the heterogeneous reaction with gaseous carbon monoxide. It turned out that this dependence exhibits the clear maximum. On further pressure increasing the film thickness decreases. The theoretical model has been developed which explains such a character of the dependence by the fact that the gaseous silicon monoxide reaction product inhibits the drift of the gaseous reagent through the channels of a crystal lattice, thus decreasing their hydraulic diameter. In the proposed hydraulic model, the dependences of the film thickness both on the gas pressure and time have been calculated. It was shown that not only the qualitative but also quantitative correspondence between theoretical and experimental results takes place. As one would expect, due to the Einstein relation, at short growth times the drift model coincides with the diffusion one. Consequences of this drift mechanism of epitaxial film growing are discussed. - Graphical abstract: This work aims to study the pressure dependence of the thickness of the epitaxial silicon carbide film growing from crystalline silicon due to the heterogeneous reaction with gaseous carbon monoxide. It turned out that this dependence exhibits the clear maximum. On further pressure increasing the film thickness decreases. The theoretical model has been developed which explains such a character of the dependence by the fact that the gaseous silicon monoxide reaction product inhibits the drift of the gaseous reagent through the channels of a crystal lattice, thus decreasing their hydraulic diameter. - Highlights: • It is established that the greater pressure, the smaller is the reaction rate. • The reaction product prevents penetration of the reagent into a reaction zone. • For description the hydraulic model of crystal lattice channels is developed. • Theoretical results for polytropic

  10. Thermodynamic analysis of dust sulphation reactions

    Energy Technology Data Exchange (ETDEWEB)

    Yang Yongxiang; Jokilaakso, A.

    1997-12-31

    Sulphation reactions of metal oxides with SO{sub 2} and O. or SO{sub 3} play significant roles in sulphation roasting of sulphide and oxide minerals as well as in desulphurisation process of combustion gases. In metallurgical waste-heat boilers for sulphide smelting, the sulphation of the oxidic flue dust in the atmosphere containing sulphur oxides is an unavoidable process, and the sulphation reactions have to be guided in a controlled way in the proper parts of the gas handling equipment. In this report, some thermodynamic analyses were conducted for the oxide sulphation reactions in relation to sulphide smelting processes. The phase stability of Me-S-O systems especially for oxides - sulphates equilibrium was studied under different thermodynamic conditions of gas compositions and temperatures. The sulphate stability was analysed for an example of gas compositions in the copper flash smelter of Outokumpu Harjavalta Metals Oy, in relation to temperature. In the report, most of the information was from literature. Moreover, a number of thermodynamic computations were carried out with the HSC program, and the constructed phase stability diagrams were compared with those from the literature whenever possible. The maximum temperatures for stable sulphates under normal operating conditions of the waste-heat boilers in sulphide smelting processes were obtained. This report will serve as the basis for the kinetic studies of the sulphation reactions and the sulphation reaction modelling in pyrometallurgical processes. (orig.) SULA 2 Programme. 36 refs.

  11. Successive ionic layer adsorption and reaction deposited kesterite Cu2ZnSnS4 nanoflakes counter electrodes for efficient dye-sensitized solar cells

    International Nuclear Information System (INIS)

    Mali, Sawanta S.; Shim, Chang Su; Hong, Chang Kook

    2014-01-01

    Highlights: • Cu 2 ZnSnS 4 nanoflakes by SILAR technique. • Hydrothermal synthesis of TiO 2 . • Counter electrode for DSSC application. • 4.48% conversion efficiency. - Abstract: In this investigation, we have successfully synthesized Cu 2 ZnSnS 4 (CZTS) nanoflakes by successive ionic layer adsorption and reaction (SILAR) method and used as a counter electrode in the hydrothermally grown TiO 2 based dye sensitized solar cells (DSSCs). The prepared CZTS nanoflakes were characterized using X-ray powder diffraction (XRD), field emission scanning electron microscopy (FESEM), micro Raman spectroscopy and energy dispersive analysis. Our DSSCs results revealed that, compared with conventional Pt/FTO counter electrode DSSCs, nanoflakes of p-type CZTS as the photocathode and n-type TiO 2 thin films as the photoanode shows an increased short circuit current (13.35 mA/cm 2 ) with 4.84% power conversion efficiency. The detailed interface properties of were analyzed by electrochemical impedance spectroscopy (EIS) measurements

  12. Efficient dark fermentative hydrogen production from enzyme hydrolyzed rice straw by Clostridium pasteurianum (MTCC116).

    Science.gov (United States)

    Srivastava, Neha; Srivastava, Manish; Kushwaha, Deepika; Gupta, Vijai Kumar; Manikanta, Ambepu; Ramteke, P W; Mishra, P K

    2017-08-01

    In the present work, production of hydrogen via dark fermentation has been carried out using the hydrolyzed rice straw and Clostridium pasteurianum (MTCC116). The hydrolysis reaction of 1.0% alkali pretreated rice straw was performed at 70°C and 10% substrate loading via Fe 3 O 4 /Alginate nanocomposite (Fe 3 O 4 /Alginate NCs) treated thermostable crude cellulase enzyme following the previously established method. It is noticed that under the optimized conditions, at 70°C the Fe 3 O 4 /Alginate NCs treated cellulase has produced around 54.18g/L sugars as the rice straw hydrolyzate. Moreover, the efficiency of the process illustrates that using this hydrolyzate, Clostridium pasteurianum (MTCC116) could produce cumulative hydrogen of 2580ml/L in 144h with the maximum production rate of 23.96ml/L/h in 96h. In addition, maximum dry bacterial biomass of 1.02g/L and 1.51g/L was recorded after 96h and 144h, respectively with corresponding initial pH of 6.6 and 3.8, suggesting higher hydrogen production. Copyright © 2017 Elsevier Ltd. All rights reserved.

  13. The Non-Linear Child: Ontogeny, Isoniazid Concentration, and NAT2 Genotype Modulate Enzyme Reaction Kinetics and Metabolism

    Directory of Open Access Journals (Sweden)

    Zoe Rogers

    2016-09-01

    Full Text Available N-acetyltransferase 2 (NAT2 catalyzes the acetylation of isoniazid to N-acetylisoniazid. NAT2 polymorphism explains 88% of isoniazid clearance variability in adults. We examined the effects of clinical and genetic factors on Michaelis-Menten reaction kinetic constants of maximum velocity (Vmax and affinity (Km in children 0–10 years old. We measured the rates of isoniazid elimination and N-acetylisoniazid production in the blood of 30 children. Since maturation effects could be non-linear, we utilized a pharmacometric approach and the artificial intelligence method, multivariate adaptive regression splines (MARS, to identify factors predicting NAT2 Vmax and Km by examining clinical, genetic, and laboratory factors in toto. Isoniazid concentration predicted both Vmax and Km and superseded the contribution of NAT2 genotype. Age non-linearly modified the NAT2 genotype contribution until maturation at ≥5.3 years. Thus, enzyme efficiency was constrained by substrate concentration, genes, and age. Since MARS output is in the form of basis functions and equations, it allows multiscale systems modeling from the level of cellular chemical reactions to whole body physiological parameters, by automatic selection of significant predictors by the algorithm.

  14. Reconstruction of the electron momentum density distribution by the maximum entropy method

    International Nuclear Information System (INIS)

    Dobrzynski, L.

    1996-01-01

    The application of the Maximum Entropy Algorithm to the analysis of the Compton profiles is discussed. It is shown that the reconstruction of electron momentum density may be reliably carried out. However, there are a number of technical problems which have to be overcome in order to produce trustworthy results. In particular one needs the experimental Compton profiles measured for many directions, and to have efficient computational resources. The use of various cross-checks is recommended. (orig.)

  15. Weighted Maximum-Clique Transversal Sets of Graphs

    OpenAIRE

    Chuan-Min Lee

    2011-01-01

    A maximum-clique transversal set of a graph G is a subset of vertices intersecting all maximum cliques of G. The maximum-clique transversal set problem is to find a maximum-clique transversal set of G of minimum cardinality. Motivated by the placement of transmitters for cellular telephones, Chang, Kloks, and Lee introduced the concept of maximum-clique transversal sets on graphs in 2001. In this paper, we study the weighted version of the maximum-clique transversal set problem for split grap...

  16. Maximum power point tracking: a cost saving necessity in solar energy systems

    Energy Technology Data Exchange (ETDEWEB)

    Enslin, J H.R. [Stellenbosch Univ. (South Africa). Dept. of Electrical and Electronic Engineering

    1992-12-01

    A well engineered renewable remote energy system, utilizing the principal of Maximum Power Point Tracking (MPPT) can improve cost effectiveness, has a higher reliability and can improve the quality of life in remote areas. A high-efficient power electronic converter, for converting the output voltage of a solar panel, or wind generator, to the required DC battery bus voltage has been realized. The converter is controlled to track the maximum power point of the input source under varying input and output parameters. Maximum power point tracking for relative small systems is achieved by maximization of the output current in a battery charging regulator, using an optimized hill-climbing, inexpensive microprocessor based algorithm. Through practical field measurements it is shown that a minimum input source saving of between 15 and 25% on 3-5 kWh/day systems can easily be achieved. A total cost saving of at least 10-15% on the capital cost of these systems are achievable for relative small rating Remote Area Power Supply (RAPS) systems. The advantages at large temperature variations and high power rated systems are much higher. Other advantages include optimal sizing and system monitor and control. (author).

  17. Solar Thermochemical Hydrogen Production via Terbium Oxide Based Redox Reactions

    Directory of Open Access Journals (Sweden)

    Rahul Bhosale

    2016-01-01

    Full Text Available The computational thermodynamic modeling of the terbium oxide based two-step solar thermochemical water splitting (Tb-WS cycle is reported. The 1st step of the Tb-WS cycle involves thermal reduction of TbO2 into Tb and O2, whereas the 2nd step corresponds to the production of H2 through Tb oxidation by water splitting reaction. Equilibrium compositions associated with the thermal reduction and water splitting steps were determined via HSC simulations. Influence of oxygen partial pressure in the inert gas on thermal reduction of TbO2 and effect of water splitting temperature (TL on Gibbs free energy related to the H2 production step were examined in detail. The cycle (ηcycle and solar-to-fuel energy conversion (ηsolar-to-fuel efficiency of the Tb-WS cycle were determined by performing the second-law thermodynamic analysis. Results obtained indicate that ηcycle and ηsolar-to-fuel increase with the decrease in oxygen partial pressure in the inert flushing gas and thermal reduction temperature (TH. It was also realized that the recuperation of the heat released by the water splitting reactor and quench unit further enhances the solar reactor efficiency. At TH=2280 K, by applying 60% heat recuperation, maximum ηcycle of 39.0% and ηsolar-to-fuel of 47.1% for the Tb-WS cycle can be attained.

  18. Maximum power demand cost

    International Nuclear Information System (INIS)

    Biondi, L.

    1998-01-01

    The charging for a service is a supplier's remuneration for the expenses incurred in providing it. There are currently two charges for electricity: consumption and maximum demand. While no problem arises about the former, the issue is more complicated for the latter and the analysis in this article tends to show that the annual charge for maximum demand arbitrarily discriminates among consumer groups, to the disadvantage of some [it

  19. Solar Panel System for Street Light Using Maximum Power Point Tracking (MPPT Technique

    Directory of Open Access Journals (Sweden)

    Wiedjaja A.

    2014-03-01

    Full Text Available Solar energy is one form of the renewable energy which is very abundant in regions close to the equator. One application of solar energy is for street light. This research focuses on using the maximum power point tracking technique (MPPT, particularly the perturb and observe (P&O algorithm, to charge battery for street light system. The proposed charger circuit can achieve 20.73% higher power efficiency compared to that of non-MPPT charger. We also develop the LED driver circuit for the system which can achieve power efficiency up to 91.9% at a current of 1.06 A. The proposed street lightning system can be implemented with a relatively low cost for public areas.

  20. Direct conversion from Jerusalem artichoke to hydroxymethylfurfural (HMF) using the Fenton reaction.

    Science.gov (United States)

    Seo, Yeong Hwan; Han, Jong-In

    2014-05-15

    A simple method for hydroxymethylfurfural (HMF) production from non-crop biomass of the Jerusalem artichoke was developed using the Fenton reaction, in a mixture of 2-butanol and water. Four parameters (temperature, reaction time, Fe(2+) concentration, and H2O2 concentration) were identified as experimental factors, and HMF yield was selected as the response parameter. The experimental factors were optimised by employing Response Surface Methodology (RSM). The maximum HMF yield, of 46%, was obtained with a reaction time of 90 min, Fe(2+) concentration of 1.3 mM, and 0.47 M of H2O2 at 180 °C. Copyright © 2014. Published by Elsevier Ltd.

  1. BMRC: A Bitmap-Based Maximum Range Counting Approach for Temporal Data in Sensor Monitoring Networks

    Directory of Open Access Journals (Sweden)

    Bin Cao

    2017-09-01

    Full Text Available Due to the rapid development of the Internet of Things (IoT, many feasible deployments of sensor monitoring networks have been made to capture the events in physical world, such as human diseases, weather disasters and traffic accidents, which generate large-scale temporal data. Generally, the certain time interval that results in the highest incidence of a severe event has significance for society. For example, there exists an interval that covers the maximum number of people who have the same unusual symptoms, and knowing this interval can help doctors to locate the reason behind this phenomenon. As far as we know, there is no approach available for solving this problem efficiently. In this paper, we propose the Bitmap-based Maximum Range Counting (BMRC approach for temporal data generated in sensor monitoring networks. Since sensor nodes can update their temporal data at high frequency, we present a scalable strategy to support the real-time insert and delete operations. The experimental results show that the BMRC outperforms the baseline algorithm in terms of efficiency.

  2. Application of the EXtrapolated Efficiency Method (EXEM) to infer the gamma-cascade detection efficiency in the actinide region

    Energy Technology Data Exchange (ETDEWEB)

    Ducasse, Q. [CENBG, CNRS/IN2P3-Université de Bordeaux, Chemin du Solarium B.P. 120, 33175 Gradignan (France); CEA-Cadarache, DEN/DER/SPRC/LEPh, 13108 Saint Paul lez Durance (France); Jurado, B., E-mail: jurado@cenbg.in2p3.fr [CENBG, CNRS/IN2P3-Université de Bordeaux, Chemin du Solarium B.P. 120, 33175 Gradignan (France); Mathieu, L.; Marini, P. [CENBG, CNRS/IN2P3-Université de Bordeaux, Chemin du Solarium B.P. 120, 33175 Gradignan (France); Morillon, B. [CEA DAM DIF, 91297 Arpajon (France); Aiche, M.; Tsekhanovich, I. [CENBG, CNRS/IN2P3-Université de Bordeaux, Chemin du Solarium B.P. 120, 33175 Gradignan (France)

    2016-08-01

    The study of transfer-induced gamma-decay probabilities is very useful for understanding the surrogate-reaction method and, more generally, for constraining statistical-model calculations. One of the main difficulties in the measurement of gamma-decay probabilities is the determination of the gamma-cascade detection efficiency. In Boutoux et al. (2013) [10] we developed the EXtrapolated Efficiency Method (EXEM), a new method to measure this quantity. In this work, we have applied, for the first time, the EXEM to infer the gamma-cascade detection efficiency in the actinide region. In particular, we have considered the {sup 238}U(d,p){sup 239}U and {sup 238}U({sup 3}He,d){sup 239}Np reactions. We have performed Hauser–Feshbach calculations to interpret our results and to verify the hypothesis on which the EXEM is based. The determination of fission and gamma-decay probabilities of {sup 239}Np below the neutron separation energy allowed us to validate the EXEM.

  3. Application of the EXtrapolated Efficiency Method (EXEM) to infer the gamma-cascade detection efficiency in the actinide region

    International Nuclear Information System (INIS)

    Ducasse, Q.; Jurado, B.; Mathieu, L.; Marini, P.; Morillon, B.; Aiche, M.; Tsekhanovich, I.

    2016-01-01

    The study of transfer-induced gamma-decay probabilities is very useful for understanding the surrogate-reaction method and, more generally, for constraining statistical-model calculations. One of the main difficulties in the measurement of gamma-decay probabilities is the determination of the gamma-cascade detection efficiency. In Boutoux et al. (2013) [10] we developed the EXtrapolated Efficiency Method (EXEM), a new method to measure this quantity. In this work, we have applied, for the first time, the EXEM to infer the gamma-cascade detection efficiency in the actinide region. In particular, we have considered the "2"3"8U(d,p)"2"3"9U and "2"3"8U("3He,d)"2"3"9Np reactions. We have performed Hauser–Feshbach calculations to interpret our results and to verify the hypothesis on which the EXEM is based. The determination of fission and gamma-decay probabilities of "2"3"9Np below the neutron separation energy allowed us to validate the EXEM.

  4. Palladium on Carbon-Catalyzed Suzuki-Miyaura Coupling Reaction Using an Efficient and Continuous Flow System

    Directory of Open Access Journals (Sweden)

    Tomohiro Hattori

    2015-01-01

    Full Text Available The continuous flow Suzuki-Miyaura reaction between various haloarenes and arylboronic acids was successfully achieved within only ca. 20 s during the single-pass through a cartridge filled with palladium on carbon (Pd/C. No palladium leaching was observed in the collected reaction solution by atomic absorption spectrometry (detection limit: 1 ppm.

  5. Studies on adsorption, reaction mechanisms and kinetics for photocatalytic degradation of CHD, a pharmaceutical waste.

    Science.gov (United States)

    Sarkar, Santanu; Bhattacharjee, Chiranjib; Curcio, Stefano

    2015-11-01

    The photocatalytic degradation of chlorhexidine digluconate (CHD), a disinfectant and topical antiseptic and adsorption of CHD catalyst surface in dark condition has been studied. Moreover, the value of kinetic parameters has been measured and the effect of adsorption on photocatalysis has been investigated here. Substantial removal was observed during the photocatalysis process, whereas 40% removal was possible through the adsorption route on TiO2 surface. The parametric variation has shown that alkaline pH, ambient temperature, low initial substrate concentration, high TiO2 loading were favourable, though at a certain concentration of TiO2 loading, photocatalytic degradation efficiency was found to be maximum. The adsorption study has shown good confirmation with Langmuir isotherm and during the reaction at initial stage, it followed pseudo-first-order reaction, after that Langmuir Hinshelwood model was found to be appropriate in describing the system. The present study also confirmed that there is a significant effect of adsorption on photocatalytic degradation. The possible mechanism for adsorption and photocatalysis has been shown here and process controlling step has been identified. The influences of pH and temperature have been explained with the help of surface charge distribution of reacting particles and thermodynamic point of view respectively. Copyright © 2015 Elsevier Inc. All rights reserved.

  6. A Fast Algorithm for Maximum Likelihood Estimation of Harmonic Chirp Parameters

    DEFF Research Database (Denmark)

    Jensen, Tobias Lindstrøm; Nielsen, Jesper Kjær; Jensen, Jesper Rindom

    2017-01-01

    . A statistically efficient estimator for extracting the parameters of the harmonic chirp model in additive white Gaussian noise is the maximum likelihood (ML) estimator which recently has been demonstrated to be robust to noise and accurate --- even when the model order is unknown. The main drawback of the ML......The analysis of (approximately) periodic signals is an important element in numerous applications. One generalization of standard periodic signals often occurring in practice are harmonic chirp signals where the instantaneous frequency increases/decreases linearly as a function of time...

  7. Mace-like hierarchical MoS2/NiCo2S4 composites supported by carbon fiber paper: An efficient electrocatalyst for the hydrogen evolution reaction

    Science.gov (United States)

    Sun, Lan; Wang, Tao; Zhang, Long; Sun, Yunjin; Xu, Kewei; Dai, Zhengfei; Ma, Fei

    2018-02-01

    The rational design and preparation of earth-abundant, stable and efficient electrocatalysts for hydrogen production is currently the subject in extensive scientific and technological researches toward the future of a clean-energy society. Herein, a mace-like MoS2/NiCo2S4 hierarchical structure is designed and synthesized on carbon fiber paper via a facile hydrothermal method, and evaluated as electrocatalyst for hydrogen evolution reaction. In the MoS2/NiCo2S4/carbon fiber paper hierarchical structures, MoS2 nanosheets are dispersively distributed on the surface of NiCo2S4 nanowires, which provides an enlarged surface area, abundant interfaces and catalytic active sites. As for hydrogen evolution reaction, such MoS2/NiCo2S4/carbon fiber paper heterostructures give rise to a hydrogen evolution reaction catalytic current density of 10 mA cm-2 with a lower overpotential of 139 mV and a smaller Tafel slope of 37 mV·dec-1 than those of MoS2/carbon fiber paper and NiCo2S4/carbon fiber paper counterparts, exhibiting a prominent electrocatalytic performance. Moreover, the electrocatalytic properties change little after 5000 CV cycles and continual electrolysis for 12 h without obvious decay, respectively, demonstrating high durability and stability. The excellent hydrogen evolution reaction performances endow the hierarchical configuration MoS2/NiCo2S4/carbon fiber paper with promising alternative in HER and other related renewable energy fields.

  8. A tandem cross-metathesis/semipinacol rearrangement reaction.

    Science.gov (United States)

    Plummer, Christopher W; Soheili, Arash; Leighton, James L

    2012-05-18

    An efficient and (E)-selective synthesis of a 6-alkylidenebicyclo[3.2.1]octan-8-one has been developed. The key step is a tandem cross-metathesis/semipinacol rearrangement reaction, wherein the Hoveyda-Grubbs II catalyst, or more likely a derivative thereof, serves as the Lewis acid for the rearrangement. Despite the fact that both the starting alkene and the cross-metathesis product are viable rearrangement substrates, only the latter rearranges, suggesting that the Lewis acidic species is generated only after the cross-metathesis reaction is complete.

  9. Electro-Optical Design for Efficient Visual Communication

    Science.gov (United States)

    Huck, Friedrich O.; Fales, Carl L.; Jobson, Daniel J.; Rahman, Zia-Ur

    1995-01-01

    Visual communication, in the form of telephotography and television, for example, can be regarded as efficient only if the amount of information that it conveys about the scene to the observer approaches the maximum possible and the associated cost approaches the minimum possible. Elsewhere we have addressed the problem of assessing the end to end performance of visual communication systems in terms of their efficiency in this sense by integrating the critical limiting factors that constrain image gathering into classical communications theory. We use this approach to assess the electro-optical design of image gathering devices as a function of the f number and apodization of the objective lens and the aperture size and sampling geometry of the phot-detection mechanism. Results show that an image gathering device that is designed to optimize information capacity performs similarly to the human eye. For both, the performance approaches the maximum possible, in terms of the efficiency with which the acquired information can be transmitted as decorrelated data, and the fidelity, sharpness, and clearity with which fine detail can be restored.

  10. Electro-optical design for efficient visual communication

    Science.gov (United States)

    Huck, Friedrich O.; Fales, Carl L.; Jobson, Daniel J.; Rahman, Zia-ur

    1995-03-01

    Visual communication, in the form of telephotography and television, for example, can be regarded as efficient only if the amount of information that it conveys about the scene to the observer approaches the maximum possible and the associated cost approaches the minimum possible. Elsewhere we have addressed the problem of assessing the end-to-end performance of visual communication systems in terms of their efficiency in this sense by integrating the critical limiting factors that constrain image gathering into classical communication theory. We use this approach to assess the electro-optical design of image-gathering devices as a function of the f number and apodization of the objective lens and the aperture size and sampling geometry of the photodetection mechanism. Results show that an image-gathering device that is designed to optimize information capacity performs similarly to the human eye. For both, the performance approaches the maximum possible, in terms of the efficiency with which the acquired information can be transmitted as decorrelated data, and the fidelity, sharpness, and clarity with which fine detail can be restored.

  11. Double carbometallation of alkynes: an efficient strategy for the construction of polycycles.

    Science.gov (United States)

    Luo, Yong; Pan, Xiaolin; Yu, Xingxin; Wu, Jie

    2014-02-07

    Cyclization reactions of alkynes, especially the double carbometallation of alkynes, have drawn much interest from organic chemists because of their high efficiency in the construction of polycycles. Utilizing different nucleophiles or catalytic systems, various efficient strategies to access challenging skeletons have been extensively explored in recent years. In this review, achievements in this field are presented in three major parts (the syn-syn, anti-anti, and syn-anti addition reactions of diynes or two alkyne molecules). Cyclization reactions of diynes initiated by nucleophiles, [2+2+n] cycloaddition, or other processes and reactions, involving two identical or different alkynes are described, which provide facile and reliable approaches to various π systems, medium-sized rings, and even macrocycles.

  12. Energy efficiency in pumps

    Energy Technology Data Exchange (ETDEWEB)

    Kaya, Durmus; Yagmur, E. Alptekin [TUBITAK-MRC, P.O. Box 21, 41470 Gebze, Kocaeli (Turkey); Yigit, K. Suleyman; Eren, A. Salih; Celik, Cenk [Engineering Faculty, Kocaeli University, Kocaeli (Turkey); Kilic, Fatma Canka [Department of Air Conditioning and Refrigeration, Kocaeli University, Kullar, Kocaeli (Turkey)

    2008-06-15

    In this paper, ''energy efficiency'' studies, done in a big industrial facility's pumps, are reported. For this purpose; the flow rate, pressure and temperature have been measured for each pump in different operating conditions and at maximum load. In addition, the electrical power drawn by the electric motor has been measured. The efficiencies of the existing pumps and electric motor have been calculated by using the measured data. Potential energy saving opportunities have been studied by taking into account the results of the calculations for each pump and electric motor. As a conclusion, improvements should be made each system. The required investment costs for these improvements have been determined, and simple payback periods have been calculated. The main energy saving opportunities result from: replacements of the existing low efficiency pumps, maintenance of the pumps whose efficiencies start to decline at certain range, replacements of high power electric motors with electric motors that have suitable power, usage of high efficiency electric motors and elimination of cavitation problems. (author)

  13. Optimizing lengths of confidence intervals: fourth-order efficiency in location models

    NARCIS (Netherlands)

    Klaassen, C.; Venetiaan, S.

    2010-01-01

    Under regularity conditions the maximum likelihood estimator of the location parameter in a location model is asymptotically efficient among translation equivariant estimators. Additional regularity conditions warrant third- and even fourth-order efficiency, in the sense that no translation

  14. Levels And Spectra Of Aircraft Noise And People\\'s Reactions In ...

    African Journals Online (AJOL)

    A study of sound levels and spectral distribution as well as people\\'s reactions to aircraft noise in three Nigerian international airports have been conducted. The study comprised physical measurements and social survey. Results show that maximum octave band pressure levels (BPLs) for Margaret Ekpo, Port Harcourt and ...

  15. A novel thiamine-derived pigment, pyrizepine, formed by the Maillard reaction.

    Science.gov (United States)

    Igoshi, Asuka; Noda, Kyoko; Murata, Masatsune

    2018-04-26

    To find a Maillard pigment derived from thiamine, a solution containing glucose and thiamine was heated and analyzed with high-performance liquid chromatography equipped with diode-array detection. As a result, a unique peak showing an absorption maximum at 380 nm was detected. This peak was then isolated from a reaction solution containing glucose, lysine and thiamine, and was identified as 1-(2-methyl-6,9-dihydro-5H-pyrimido[4,5-e][1,4]diazepin-7-yl)ethan-1-one using instrumental analyses. This compound, named pyrizepine, was a novel yellow pigment having a fused ring consisting of pyrimidine and diazepine. Pyrizepine was a major low-molecular-weight pigment in the reaction solution. The structure suggests that pyrizepine is formed by condensation reaction between a degradation product of thiamine and a tetrosone derivative formed from glucose by the Maillard reaction.

  16. A novel minimum cost maximum power algorithm for future smart home energy management.

    Science.gov (United States)

    Singaravelan, A; Kowsalya, M

    2017-11-01

    With the latest development of smart grid technology, the energy management system can be efficiently implemented at consumer premises. In this paper, an energy management system with wireless communication and smart meter are designed for scheduling the electric home appliances efficiently with an aim of reducing the cost and peak demand. For an efficient scheduling scheme, the appliances are classified into two types: uninterruptible and interruptible appliances. The problem formulation was constructed based on the practical constraints that make the proposed algorithm cope up with the real-time situation. The formulated problem was identified as Mixed Integer Linear Programming (MILP) problem, so this problem was solved by a step-wise approach. This paper proposes a novel Minimum Cost Maximum Power (MCMP) algorithm to solve the formulated problem. The proposed algorithm was simulated with input data available in the existing method. For validating the proposed MCMP algorithm, results were compared with the existing method. The compared results prove that the proposed algorithm efficiently reduces the consumer electricity consumption cost and peak demand to optimum level with 100% task completion without sacrificing the consumer comfort.

  17. Optimizing WiMAX: Mitigating Co-Channel Interference for Maximum Spectral Efficiency

    International Nuclear Information System (INIS)

    Ansari, A.Q.; Memon, A.L.; Qureshi, I.A.

    2016-01-01

    The efficient use of radio spectrum is one of the most important issues in wireless networks because spectrum is generally limited and wireless environment is constrained to channel interference. To cope up and for increased usefulness of radio spectrum wireless networks use frequency reuse technique. The frequency reuse technique allows the use of same frequency band in different cells of same network considering inter-cell distance and resulting interference level. WiMAX (Worldwide Interoperability for Microwave Access) PHY profile is designed to use FRF (Frequency Reuse Factor) of one. When FRF of one is used it results in an improved spectral efficacy but also results in CCI (Co-Channel interference) at cell boundaries. The effect of interference is always required to be measured so that some averaging/ minimization techniques may be incorporated to keep the interference level up to some acceptable threshold in wireless environment. In this paper, we have analyzed, that how effectively CCI impact can be mitigated by using different subcarrier permutation types presented in IEEE 802.16 standard. A simulation based analysis is presented wherein impact of using same and different permutation base in adjacent cells in a WiMAX network on CCI, under varying load conditions is analyzed. We have further studied the effect of permutation base in environment where frequency reuse technique is used in conjunction with cell sectoring for better utilization of radio spectrum. (author)

  18. Maximum likelihood estimation for Cox's regression model under nested case-control sampling

    DEFF Research Database (Denmark)

    Scheike, Thomas Harder; Juul, Anders

    2004-01-01

    -like growth factor I was associated with ischemic heart disease. The study was based on a population of 3784 Danes and 231 cases of ischemic heart disease where controls were matched on age and gender. We illustrate the use of the MLE for these data and show how the maximum likelihood framework can be used......Nested case-control sampling is designed to reduce the costs of large cohort studies. It is important to estimate the parameters of interest as efficiently as possible. We present a new maximum likelihood estimator (MLE) for nested case-control sampling in the context of Cox's proportional hazards...... model. The MLE is computed by the EM-algorithm, which is easy to implement in the proportional hazards setting. Standard errors are estimated by a numerical profile likelihood approach based on EM aided differentiation. The work was motivated by a nested case-control study that hypothesized that insulin...

  19. Acute physical exercise under hypoxia improves sleep, mood and reaction time.

    Science.gov (United States)

    de Aquino-Lemos, Valdir; Santos, Ronaldo Vagner T; Antunes, Hanna Karen Moreira; Lira, Fabio S; Luz Bittar, Irene G; Caris, Aline V; Tufik, Sergio; de Mello, Marco Tulio

    2016-02-01

    This study aimed to assess the effect of two sessions of acute physical exercise at 50% VO2peak performed under hypoxia (equivalent to an altitude of 4500 m for 28 h) on sleep, mood and reaction time. Forty healthy men were randomized into 4 groups: Normoxia (NG) (n = 10); Hypoxia (HG) (n = 10); Exercise under Normoxia (ENG) (n = 10); and Exercise under Hypoxia (EHG) (n = 10). All mood and reaction time assessments were performed 40 min after awakening. Sleep was reassessed on the first day at 14 h after the initiation of hypoxia; mood and reaction time were measured 28 h later. Two sessions of acute physical exercise at 50% VO2peak were performed for 60 min on the first and second days after 3 and 27 h, respectively, after starting to hypoxia. Improved sleep efficiency, stage N3 and REM sleep and reduced wake after sleep onset were observed under hypoxia after acute physical exercise. Tension, anger, depressed mood, vigor and reaction time scores improved after exercise under hypoxia. We conclude that hypoxia impairs sleep, reaction time and mood. Acute physical exercise at 50% VO2peak under hypoxia improves sleep efficiency, reversing the aspects that had been adversely affected under hypoxia, possibly contributing to improved mood and reaction time.

  20. Cold fusion reactions with 48Ca

    International Nuclear Information System (INIS)

    Gaeggeler, H.W.; Jost, D.T.; Tuerler, A.

    1989-04-01

    Cold fusion reactions with 48 Ca on the targets 208 Pb, 209 Bi, 197 Au, 184 W, 180 Hf are reported. The experiments were performed at the velocity filter SHIP of GSI. The maximum cross sections show a steep descent by about four orders of magnitude when going from 224 Th to 228 U as compound nuclei. Between uranium and einsteinium the cross sections stay rather low and increase by about two orders of magnitude for nobelium. For lawrencium the cross section decrease again. 7 figs., 1 tab., 38 refs