Electro-induced reactions of biologically important molecules

International Nuclear Information System (INIS)

Kocisek, J.

2010-01-01

The thesis presents the results of research activities in the field of electron interactions with biologically relevant molecules which was carried out during my PhD studies at the Department of Experimental Physics, Comenius University in Bratislava. Electron induced interactions with biologically relevant molecules were experimentally studied using crossed electron-molecule beams experiment. The obtained results, were presented in four publications in international scientific journals. First study of deals with electron impact ionisation of furanose alcohols [see 1. in list of author publications on page 22]. It has been motivated by most important works in the field of electron induced damages of DNA bases [4]. Studied 3-hydroxytetrahydrofuran and tetrahydrofurfuryl alcohol, are important model molecules for more complex biological systems (e.g. deoxyribose).The influence of hydroxyl group on stabilisation of the positive ions of the molecules, together with the stability of furan ring in ionized form are main themes of the study. The studies of small amides and aminoacids are connected to scientific studies in the field of formation of the aminoacids and other biologically relevant molecules in space and works trying to explain electron induced processes in more complex molecules[12, 13, 24]. The most important results were obtained for aminoacid Serine [see 2. in list of author publications on page 22]. We have showed that additional OH group of Serine considerably lower the reaction enthalpy limit of reactions resulting to formation of neutral water molecules, in comparison to other amino acids. Also the study of (M-H)- reaction channel using the electron beam with FWHM under 100 meV is of high importance in the field. The last part of the thesis is focused on the electron interactions with organosilane compounds. Materials prepared from organosilane molecules in plasmas have wide range of applications in both biology and medicine. We have studied electron

Thermodynamic criteria for estimating the kinetic parameters of catalytic reactions

Science.gov (United States)

Mitrichev, I. I.; Zhensa, A. V.; Kol'tsova, E. M.

2017-01-01

Kinetic parameters are estimated using two criteria in addition to the traditional criterion that considers the consistency between experimental and modeled conversion data: thermodynamic consistency and the consistency with entropy production (i.e., the absolute rate of the change in entropy due to exchange with the environment is consistent with the rate of entropy production in the steady state). A special procedure is developed and executed on a computer to achieve the thermodynamic consistency of a set of kinetic parameters with respect to both the standard entropy of a reaction and the standard enthalpy of a reaction. A problem of multi-criterion optimization, reduced to a single-criterion problem by summing weighted values of the three criteria listed above, is solved. Using the reaction of NO reduction with CO on a platinum catalyst as an example, it is shown that the set of parameters proposed by D.B. Mantri and P. Aghalayam gives much worse agreement with experimental values than the set obtained on the basis of three criteria: the sum of the squares of deviations for conversion, the thermodynamic consistency, and the consistency with entropy production.

Diabatic models with transferrable parameters for generalized chemical reactions

International Nuclear Information System (INIS)

Reimers, Jeffrey R; McKemmish, Laura K; McKenzie, Ross H; Hush, Noel S

2017-01-01

Diabatic models applied to adiabatic electron-transfer theory yield many equations involving just a few parameters that connect ground-state geometries and vibration frequencies to excited-state transition energies and vibration frequencies to the rate constants for electron-transfer reactions, utilizing properties of the conical-intersection seam linking the ground and excited states through the Pseudo Jahn-Teller effect. We review how such simplicity in basic understanding can also be obtained for general chemical reactions. The key feature that must be recognized is that electron-transfer (or hole transfer) processes typically involve one electron (hole) moving between two orbitals, whereas general reactions typically involve two electrons or even four electrons for processes in aromatic molecules. Each additional moving electron leads to new high-energy but interrelated conical-intersection seams that distort the shape of the critical lowest-energy seam. Recognizing this feature shows how conical-intersection descriptors can be transferred between systems, and how general chemical reactions can be compared using the same set of simple parameters. Mathematical relationships are presented depicting how different conical-intersection seams relate to each other, showing that complex problems can be reduced into an effective interaction between the ground-state and a critical excited state to provide the first semi-quantitative implementation of Shaik’s “twin state” concept. Applications are made (i) demonstrating why the chemistry of the first-row elements is qualitatively so different to that of the second and later rows, (ii) deducing the bond-length alternation in hypothetical cyclohexatriene from the observed UV spectroscopy of benzene, (iii) demonstrating that commonly used procedures for modelling surface hopping based on inclusion of only the first-derivative correction to the Born-Oppenheimer approximation are valid in no region of the chemical

Effect of reaction parameters on photoluminescence and photocatalytic activity of zinc sulfide nanosphere synthesized by hydrothermal route

Energy Technology Data Exchange (ETDEWEB)

Chanu, T. Inakhunbi; Samanta, Dhrubajyoti [Centre for Material Science and Nanotechnology, Sikkim Manipal Institute of Technology, Sikkim Manipal University, Sikkim 737136 (India); Tiwari, Archana [Department of Physics, Sikkim University, 737102 Sikkim (India); Chatterjee, Somenath, E-mail: somenath@gmail.com [Centre for Material Science and Nanotechnology, Sikkim Manipal Institute of Technology, Sikkim Manipal University, Sikkim 737136 (India); Electronics & Communication Engineering Department, Sikkim Manipal Institute of Technology, Sikkim Manipal University, Sikkim 737136 (India)

2017-01-01

Highlights: • ZnS nanosphere synthesis in hydrothermal method with biomolecule as capping ligand. • Effect of reaction parameters to tune the size of ZnS nanoparticles. • Obtain multiple defect emission, which arises from interstitials/vacancies. • 87% degradation of Rh-B in the presence of ZnS nanoparticles under solar radiation. - Abstract: Zinc Sulfide (ZnS) nanospheres have been synthesized using amino acid, L-Histidine as a capping agent by hydrothermal method. The as prepared ZnS have been characterised using X-ray Diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM), High Resolution Transmission Electron Microscopy (HRTEM), Photoluminescence (PL), Fourier Transform Infra-Red spectroscopy (FTIR), UV–vis absorption spectroscopy and X-ray Photo Electron Spectroscopy (XPS). Effect of reaction parameters on particle size has been investigated. The morphology and size of the ZnS can be tuned based on the reaction parameters. ZnS nanosphere with a particle size of 5 nm is obtained when the reaction parameters are kept at 120 °C for 3 h. The PL of ZnS shows multiple defect emissions arising from interstitials/vacancies. Particle size of ZnS nanoparticles plays an important role in determining the photo catalytic activity. A chronological study on synthesis of ZnS nanosphere and its photo catalytic activity under the sunlight are discussed here, which reveals the photo degradation of Rhodamine B (RhB) upto 87% as observed with ZnS nanosphere having a particle size of 5 nm.

New functionalities of Maillard reaction products as emulsifiers and encapsulating agents, and the processing parameters: a brief review.

Science.gov (United States)

Lee, Yee-Ying; Tang, Teck-Kim; Phuah, Eng-Tong; Alitheen, Noorjahan Banu Mohamed; Tan, Chin-Ping; Lai, Oi-Ming

2017-03-01

Non-enzymatic browning has been a wide and interesting research area in the food industry, ranging from the complexity of the reaction to its applications in the food industry as well as its ever-debatable health effects. This review provides a new perspective to the Maillard reaction apart from its ubiquitous function in enhancing food flavour, taste and appearance. It focuses on the recent application of Maillard reaction products as an inexpensive and excellent source of emulsifiers as well as superior encapsulating matrices for the entrapment of bioactive compounds. Additionally, it will also discuss the latest approaches employed to perform the Maillard reaction as well as several important reaction parameters that need to be taken into consideration when conducting the Maillard reaction. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Insights into the importance of oxygen functional groups in carbon reactions with oxygen containing gases

International Nuclear Information System (INIS)

John Zhu, Max Lu

2005-01-01

treatment can significantly increase the amount of CO 2 -yielding functional groups (such as carboxyl and lactone groups) while HCl produced more unstable CO-yielding functional groups. The more powerful method for characterizing carbon surface functional groups may be DRIFT (Diffuse reflectance spectroscopy), which can distinguish types of functional groups effectively. To experimentally confirm the important roles of o-quinone and off-plane epoxy oxygen functional groups in gas-carbon reactions using DRIFT is currently under way in our group, which aims to gaining new insights into the importance of surface functional groups in gas-carbon reactions. Our generalized mechanism can also be extended to NO/N 2 O-carbon reactions, which can be successfully integrated into the random pore model by introducing a reactive site parameter B as a measure of the relative kinetic contributions from two different surface complexes. Its use in tandem with the pore structure parameter ψ is proposed as a means to achieving the much-desired integration of the theoretically derived pore structure models and fundamentally surface mechanism of carbon gasification reactions. Such fundamental studies are also providing strong support to the research on hydrogen storage by adsorption in carbon nano-materials. (authors)

Study of some parameters of the fibrinogen - fibrin transformation reaction

International Nuclear Information System (INIS)

Hollard, D.; Suscillon, M.; Marcille, G.; Rambaud, F.; Baloyan, M.

1966-01-01

The authors studied the action of some parameters on the reaction of transformation fibrinogen-fibrin. The five parameters studied are: the concentration of substratum: a certain quantity of enzyme determines an optimum quantity of fibrinogen; the concentration of enzyme: a certain quantity of substratum defines an optimum quantity of enzyme, beyond which the excess of enzyme is unable to act, the substratum being saturated by the enzyme; the concentration of Ca ions: between 0,07 and 0,10 mg of Ca by mg of fibrinogen, the reaction appears with a great speed. Between 0,02 and 0,40 mg of Ca by mg of fibrinogen the fibrin stabilisation is possible, the FSF can act only inside the definite bounds; the ph of the solution: the reaction of the transformation appears with its maximum intensity on physiological ph, the polymerisation is not possible on acid ph; the temperature has an effect which could not really be verified owing to the fact that the technical realisation is difficult. (author) [fr

Set-base dynamical parameter estimation and model invalidation for biochemical reaction networks.

Science.gov (United States)

Rumschinski, Philipp; Borchers, Steffen; Bosio, Sandro; Weismantel, Robert; Findeisen, Rolf

2010-05-25

Mathematical modeling and analysis have become, for the study of biological and cellular processes, an important complement to experimental research. However, the structural and quantitative knowledge available for such processes is frequently limited, and measurements are often subject to inherent and possibly large uncertainties. This results in competing model hypotheses, whose kinetic parameters may not be experimentally determinable. Discriminating among these alternatives and estimating their kinetic parameters is crucial to improve the understanding of the considered process, and to benefit from the analytical tools at hand. In this work we present a set-based framework that allows to discriminate between competing model hypotheses and to provide guaranteed outer estimates on the model parameters that are consistent with the (possibly sparse and uncertain) experimental measurements. This is obtained by means of exact proofs of model invalidity that exploit the polynomial/rational structure of biochemical reaction networks, and by making use of an efficient strategy to balance solution accuracy and computational effort. The practicability of our approach is illustrated with two case studies. The first study shows that our approach allows to conclusively rule out wrong model hypotheses. The second study focuses on parameter estimation, and shows that the proposed method allows to evaluate the global influence of measurement sparsity, uncertainty, and prior knowledge on the parameter estimates. This can help in designing further experiments leading to improved parameter estimates.

The reaction between iodine and silver under severe PWR accident conditions. An experimental parameter study

Energy Technology Data Exchange (ETDEWEB)

Funke, F; Greger, G U; Bleier, A; Hellmann, S; Morell, W [Siemens AG, Power Generation Group, Erlangen (Germany)

1996-12-01

An extensive experimental parameter study was performed on the kinetics in the reaction system I{sub 2}/Ag and I{sup -}/Ag in a laboratory-scale apparatus.Starting with I{sub 2} or I{sup -} solutions and silver powder suspensions, the decrease of soluted I{sub 2} or I{sup -}, respectively, due to fixation on the silver particles, was monitored as function of time using the radioactive tracer I-131. The measured data were analyzed using a model of first order kinetics with respect to the iodine concentration. However, the analysis using first order kinetics had to be performed separately in an early, fast reaction phase and in a late, slow reaction phase. The reason for this unexpected behaviour was not identified. Thus, rate constant, two for each test, were deduced from 14 I{sub 2}/Ag main tests and from 36 I{sup -}/Ag tests. No dependencies of the rate constants were found on the parameters temperature, initial iodine concentration, presence of boric acid, type of silver educt, and pretreatment of the silver educt prior to the tests. However, the stirring of the reaction solution generally enhanced the kinetics highlighting the importance of mass transfer. The I{sup -}/Ag reaction proceeded only if there was no inertization of the reaction solution by sparging with nitrogen. The temperature-independent rate constant for the early, fast I{sub 2}/Ag reaction phase is 2E-5 m/s. However, a smaller rate constant of 6E-6 m/s is recommended for use in source term calculations with IMPAIR, which already contains a first order model. Analogously, the temperature-independent I{sup -}/Ag reaction rate constant is 8E-6 m/s in an early, fast reaction phase. For use in source term calculations, a smaller rate constant of 2E-6 m/s is recommended. The lower bound of the I{sup -}/Ag rate constant was 3E-8 m/s which could be used in very conservative source term calculations. (author) 20 figs., 6 tabs., 15 refs.

Atlas of giant dipole resonances. Parameters and graphs of photonuclear reaction cross sections

International Nuclear Information System (INIS)

Varlamov, A.V.; Varlamov, V.V.; Rudenko, D.S.; Stepanov, M.E.

1999-01-01

Parameters of giant dipole resonances (GDR) observed in photonuclear reaction cross sections using various beams of incident photons are presented. Data, given for 200 stable isotopes from 2 H to 243 Am including their natural compositions, were collected from papers published over the years 1951-1996. GDR parameters, such as energy positions, amplitudes and widths, are included into the table and organized by element, isotope and reaction. Graphs of the majority of the photonuclear reaction cross sections, included in the international nuclear data library EXFOR by the end of 1998, are presented. The graphs are provided for 182 stable isotopes and natural compositions. (author)

A robust methodology for kinetic model parameter estimation for biocatalytic reactions

DEFF Research Database (Denmark)

Al-Haque, Naweed; Andrade Santacoloma, Paloma de Gracia; Lima Afonso Neto, Watson

2012-01-01

lead to globally optimized parameter values. In this article, a robust methodology to estimate parameters for biocatalytic reaction kinetic expressions is proposed. The methodology determines the parameters in a systematic manner by exploiting the best features of several of the current approaches...... parameters, which are strongly correlated with each other. State-of-the-art methodologies such as nonlinear regression (using progress curves) or graphical analysis (using initial rate data, for example, the Lineweaver-Burke plot, Hanes plot or Dixon plot) often incorporate errors in the estimates and rarely...

Importance of resonance parameters of fertile nuclei and of 239Pu isotope for fast power reactors

International Nuclear Information System (INIS)

Barre, J.Y.; Khairallah, A.

1975-01-01

The importance of resonance parameters of fertile nuclei and of 239 Pu isotope for fast power reactors will be restricted, in this presentation, to mixed oxide-uranium-plutonium fuelled sodium-cooled and uranium-oxide-sodium reflected fast reactors. The power range lies between 200 and 2000 MWe. Among the topics of this specialist meeting, the isotopes to be considered are, primarly 239 Pu then 238 U and 240 Pu. Resonance parameters are mainly used in fast power reactor calculations through the well-known concept of self shielding factors. After a short description of the determination and the use of these self-shielding factors, their sensitivities to resonance parameters are characterized from some specific examples: those sensitivities are small. Then, the main design parameters sensitive to the amplitude of self-shielding factors are considered: critical enrichment, global breeding gain. The relative importance of isotope, reaction rate and energy range are mentionned. In a third part, the Doppler effect, sensitive to the temperature variation of self-shielding factors, is considered in the same way. Finally, it is concluded that the present knowledge of resonance parameters for 238 U, 239 Pu and 240 Pu is sufficient for fast power reactors from a designer point of view [fr

Importance of the support and the grade of Pt in the oxygen reduction reaction

International Nuclear Information System (INIS)

Enriquez M, O.; Fernandez V, S.M.

2004-01-01

The technology of the fuel cells type Proton Exchange Membrane (PEM), needs to define clearly the influence of the different involved parameters, this is made in general using methods of electrochemical impedance, in which the involved reactions can be presupposed. Another form of making is identifying experimentally the influence of the different parameters. In this work the obtained results are reported with for the oxygen reduction reaction using as electro catalyst platinum analytical grade and fuel cell grade and like support graphite and vulcan. It was found that as much the support as the particle size modify the over potential for the oxygen reduction reaction (Orr). (Author)

Iterative importance sampling algorithms for parameter estimation

OpenAIRE

Morzfeld, Matthias; Day, Marcus S.; Grout, Ray W.; Pau, George Shu Heng; Finsterle, Stefan A.; Bell, John B.

2016-01-01

In parameter estimation problems one computes a posterior distribution over uncertain parameters defined jointly by a prior distribution, a model, and noisy data. Markov Chain Monte Carlo (MCMC) is often used for the numerical solution of such problems. An alternative to MCMC is importance sampling, which can exhibit near perfect scaling with the number of cores on high performance computing systems because samples are drawn independently. However, finding a suitable proposal distribution is ...

Study of parameters affecting the conversion in a plug flow reactor for reactions of the type 2A→B

Science.gov (United States)

Beltran-Prieto, Juan Carlos; Long, Nguyen Huynh Bach Son

2018-04-01

Modeling of chemical reactors is an important tool to quantify reagent conversion, product yield and selectivity towards a specific compound and to describe the behavior of the system. Proposal of differential equations describing the mass and energy balance are among the most important steps required during the modeling process as they play a special role in the design and operation of the reactor. Parameters governing transfer of heat and mass have a strong relevance in the rate of the reaction. Understanding this information is important for the selection of reactor and operating regime. In this paper we studied the irreversible gas-phase reaction 2A→B. We model the conversion that can be achieved as function of the reactor volume and feeding temperature. Additionally, we discuss the effect of activation energy and the heat of reaction on the conversion achieved in the tubular reactor. Furthermore, we considered that dimerization occurs instantaneously in the catalytic surface to develop equations for the determination of rate of reaction per unit area of three different catalytic surface shapes. This data can be combined with information about the global rate of conversion in the reactor to improve regent conversion and yield of product.

Cintichem modified process - {sup 99}Mo precipitation step: application of statistical analysis tools over the reaction parameters

Energy Technology Data Exchange (ETDEWEB)

Teodoro, Rodrigo; Dias, Carla R.B.R.; Osso Junior, Joao A., E-mail: jaosso@ipen.b [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Fernandez Nunez, Eutimio Gustavo [Universidade de Sao Paulo (EP/USP), SP (Brazil). Escola Politecnica. Dept. de Engenharia Quimica

2011-07-01

Precipitation of {sup 99}Mo by {alpha}-benzoin oxime ({alpha}-Bz) is a standard precipitation method for molybdenum due the high selectivity of this agent. Nowadays, statistical analysis tools have been employed in analytical systems to prove its efficiency and feasibility. IPEN has a project aiming the production of {sup 99}Mo by the fission of {sup 235}U route. The processing uses as the first step the precipitation of {sup 99}Mo with {alpha}-Bz. This precipitation step involves many key reaction parameters. The aim of this work is based on the development of the already known acidic route to produce {sup 99}Mo as well as the optimization of the reactional parameters applying statistical tools. In order to simulate {sup 99}Mo precipitation, the study was conducted in acidic media using HNO{sub 3}, {alpha}Bz as precipitant agent and NaOH /1%H{sub 2}O{sub 2} as dissolver solution. Then, a Mo carrier, KMnO{sub 4} solutions and {sup 99}Mo tracer were added to the reaction flask. The reactional parameters ({alpha}-Bz/Mo ratio, Mo carrier, reaction time and temperature, and cooling reaction time before filtration) were evaluated under a fractional factorial design of resolution V. The best values of each reactional parameter were determined by a response surface statistical planning. The precipitation and recovery yields of {sup 99}Mo were measured using HPGe detector. Statistical analysis from experimental data suggested that the reactional parameters {alpha}-Bz/Mo ratio, reaction time and temperature have a significant impact on {sup 99}Mo precipitation. Optimization statistical planning showed that higher {alpha}Bz/Mo ratios, room temperature, and lower reaction time lead to higher {sup 99}Mo yields. (author)

Importance and sensitivity of parameters affecting the Zion Seismic Risk

International Nuclear Information System (INIS)

George, L.L.; O'Connell, W.J.

1985-06-01

This report presents the results of a study on the importance and sensitivity of structures, systems, equipment, components and design parameters used in the Zion Seismic Risk Calculations. This study is part of the Seismic Safety Margins Research Program (SSMRP) supported by the NRC Office of Nuclear Regulatory Research. The objective of this study is to provide the NRC with results on the importance and sensitivity of parameters used to evaluate seismic risk. These results can assist the NRC in making decisions dealing with the allocation of research resources on seismic issues. This study uses marginal analysis in addition to importance and sensitivity analysis to identify subject areas (input parameter areas) for improvements that reduce risk, estimate how much the improvement dfforts reduce risk, and rank the subject areas for improvements. Importance analysis identifies the systems, components, and parameters that are important to risk. Sensitivity analysis estimates the change in risk per unit improvement. Marginal analysis indicates the reduction in risk or uncertainty for improvement effort made in each subject area. The results described in this study were generated using the SEISIM (Systematic Evaluation of Important Safety Improvement Measures) and CHAIN computer codes. Part 1 of the SEISIM computer code generated the failure probabilities and risk values. Part 2 of SEISIM, along with the CHAIN computer code, generated the importance and sensitivity measures

Importance and sensitivity of parameters affecting the Zion Seismic Risk

Energy Technology Data Exchange (ETDEWEB)

George, L.L.; O' Connell, W.J.

1985-06-01

This report presents the results of a study on the importance and sensitivity of structures, systems, equipment, components and design parameters used in the Zion Seismic Risk Calculations. This study is part of the Seismic Safety Margins Research Program (SSMRP) supported by the NRC Office of Nuclear Regulatory Research. The objective of this study is to provide the NRC with results on the importance and sensitivity of parameters used to evaluate seismic risk. These results can assist the NRC in making decisions dealing with the allocation of research resources on seismic issues. This study uses marginal analysis in addition to importance and sensitivity analysis to identify subject areas (input parameter areas) for improvements that reduce risk, estimate how much the improvement dfforts reduce risk, and rank the subject areas for improvements. Importance analysis identifies the systems, components, and parameters that are important to risk. Sensitivity analysis estimates the change in risk per unit improvement. Marginal analysis indicates the reduction in risk or uncertainty for improvement effort made in each subject area. The results described in this study were generated using the SEISIM (Systematic Evaluation of Important Safety Improvement Measures) and CHAIN computer codes. Part 1 of the SEISIM computer code generated the failure probabilities and risk values. Part 2 of SEISIM, along with the CHAIN computer code, generated the importance and sensitivity measures.

Studies on Parameters Influencing the Performance of Reverse Transcriptase Polymerase Chain Reaction (RT-PCR in Detecting Prunus Necrotic Ringpot Virus (PNRSV

Directory of Open Access Journals (Sweden)

M. Usta

2005-08-01

Full Text Available In order to have a more detailed understanding of the various factors influencing a reverse transcriptase polymerase chain reaction (RT-PCR, a number of important parameters such as Mg+2, primer, enzyme concentration and others were optimized for the detection of Prunus necrotic ringspot virus (PNRSV. Using a PNRSV isolate with a pair of primers, complementary DNA of viral genome as template, and an appropriate enzyme together with magnesium chloride, the following optimal conditions were identified: primer concentration between 0.2 and 0.0002 pmol µl-1 and 0.06–2 units µl-1 for Taq DNA polymerase enzyme for a 50 µl reaction volume when other parameters were optimum; magnesium chloride concentration less than 2.5 mM; dNTP concentration between 1 and 10 mM. The optimum cDNA amount should be ~360 ng for a 50 µl reaction mixture. When these optimized concentrations and/or values of the main PCR parameters were brought together for a new RT-PCR, a clear and a reliable PNRSV detection having no background was performed from both growth-chamber and field-grown PNRSV-infected plants.

Morphing of the Dissipative Reaction Mechanism

International Nuclear Information System (INIS)

Schroeder, W.U.; Toke, J.; Gawlikowicz, W.; Houck, M.A.; Lu, J.; Pienkowski, L.

2003-01-01

Important trends in the evolution of heavy-ion reaction mechanisms with bombarding energy and impact parameter are reviewed. Essential features of dissipative reactions appear preserved at E/A = 50-62 MeV, such as dissipative orbiting and multi-nucleon exchange. The relaxation of the A/Z asymmetry with impact parameter is slow. Non-equilibrium emission of light particles and clusters is an important process accompanying the evolution of the mechanism. Evidence is presented for a new mechanism of statistical cluster emission from hot, metastable primary reaction products, driven by surface entropy. These results suggest a plausible reinterpretation of multi-fragmentation. (authors)

Morphing of the Dissipative Reaction Mechanism

Energy Technology Data Exchange (ETDEWEB)

Schroeder, W.U.; Toke, J.; Gawlikowicz, W.; Houck, M.A.; Lu, J.; Pienkowski, L. [Rochester Univ., Dept. of Chemistry, Rochester, NY (United States)

2003-07-01

Important trends in the evolution of heavy-ion reaction mechanisms with bombarding energy and impact parameter are reviewed. Essential features of dissipative reactions appear preserved at E/A = 50-62 MeV, such as dissipative orbiting and multi-nucleon exchange. The relaxation of the A/Z asymmetry with impact parameter is slow. Non-equilibrium emission of light particles and clusters is an important process accompanying the evolution of the mechanism. Evidence is presented for a new mechanism of statistical cluster emission from hot, metastable primary reaction products, driven by surface entropy. These results suggest a plausible reinterpretation of multi-fragmentation. (authors)

Monitoring biodiesel reactions of soybean oil and sunflower oil using ultrasonic parameters

International Nuclear Information System (INIS)

Figueiredo, M K K; Silva, C E R; Alvarenga, A V; Costa-Félix, R P B

2015-01-01

Biodiesel is an innovation that attempts to substitute diesel oil with biomass. The aim of this paper is to show the development of a real-time method to monitor transesterification reactions by using low-power ultrasound and pulse/echo techniques. The results showed that it is possible to identify different events during the transesterification process by using the proposed parameters, showing that the proposed method is a feasible way to monitor the reactions of biodiesel during its fabrication, in real time, and with relatively low- cost equipment

Monitoring biodiesel reactions of soybean oil and sunflower oil using ultrasonic parameters

Science.gov (United States)

Figueiredo, M. K. K.; Silva, C. E. R.; Alvarenga, A. V.; Costa-Félix, R. P. B.

2015-01-01

Biodiesel is an innovation that attempts to substitute diesel oil with biomass. The aim of this paper is to show the development of a real-time method to monitor transesterification reactions by using low-power ultrasound and pulse/echo techniques. The results showed that it is possible to identify different events during the transesterification process by using the proposed parameters, showing that the proposed method is a feasible way to monitor the reactions of biodiesel during its fabrication, in real time, and with relatively low- cost equipment.

The reaction between iodine and organic coatings under severe PWR accident conditions. An experimental parameter study

Energy Technology Data Exchange (ETDEWEB)

Hellmann, S; Funke, F; Greger, G U; Bleier, A; Morell, W [Siemens AG, Power Generation Group, Erlangen (Germany)

1996-12-01

An extensive experimental parameter study was performed on the deposition and on the resuspension kinetics in the reaction system iodine/organically coated surfaces. Both reactions in the gas phase and in the liquid phase were investigated and kinetic rate constants suitable for modelling were derived. Previous experimental studies on the reaction of iodine with organic coated surfaces were mostly limited to temperatures below 100{sup o}C. Thus, this parameter study aims at filling a gap and providing kinetic data on heterogeneous reactions with organic surfaces in the accident-relevant temperature range of 100-160{sup o}C. Two types of laboratory experiments carried out at Siemens/KWU using coatings representative for German power plants (epoxy-tape paint), namely gas phase tests and liquid phase tests. (author) 6 figs., 6 tabs., 5 refs.

Effects of Nordic walking and walking on spatiotemporal gait parameters and ground reaction force.

Science.gov (United States)

Park, Seung Kyu; Yang, Dae Jung; Kang, Yang Hun; Kim, Je Ho; Uhm, Yo Han; Lee, Yong Seon

2015-09-01

[Purpose] The purpose of this study was to investigate the effects of Nordic walking and walking on spatiotemporal gait parameters and ground reaction force. [Subjects] The subjects of this study were 30 young adult males, who were divided into a Nordic walking group of 15 subjects and a walking group of 15 subjects. [Methods] To analyze the spatiotemporal parameters and ground reaction force during walking in the two groups, the six-camera Vicon MX motion analysis system was used. The subjects were asked to walk 12 meters using the more comfortable walking method for them between Nordic walking and walking. After they walked 12 meters more than 10 times, their most natural walking patterns were chosen three times and analyzed. To determine the pole for Nordic walking, each subject's height was multiplied by 0.68. We then measured the spatiotemporal gait parameters and ground reaction force. [Results] Compared with the walking group, the Nordic walking group showed an increase in cadence, stride length, and step length, and a decrease in stride time, step time, and vertical ground reaction force. [Conclusion] The results of this study indicate that Nordic walking increases the stride and can be considered as helping patients with diseases affecting their gait. This demonstrates that Nordic walking is more effective in improving functional capabilities by promoting effective energy use and reducing the lower limb load, because the weight of the upper and lower limbs is dispersed during Nordic walking.

Importance of Nonperturbative QCD Parameters for Bottom Mesons

Directory of Open Access Journals (Sweden)

A. Upadhyay

2014-01-01

Full Text Available The importance of nonperturbative quantum chromodynamics (QCD parameters is discussed in context to the predicting power for bottom meson masses and isospin splitting. In the framework of heavy quark effective theory, the work presented here focuses on the different allowed values of the two nonperturbative QCD parameters used in heavy quark effective theory formula, and using the best fitted parameter, masses of the excited bottom meson states in jp=1/2+ doublet in strange and nonstrange sectors are calculated here. The calculated masses are found to be matching well with experiments and other phenomenological models. The mass splitting and hyperfine splitting have also been analyzed for both strange and nonstrange heavy mesons with respect to spin and flavor symmetries.

Phenomena and parameters important to burnup credit

International Nuclear Information System (INIS)

Parks, C.V.; Dehart, M.D.; Wagner, J.C.

2001-01-01

Since the mid-1980s, a significant number of studies have been directed at understanding the phenomena and parameters important to implementation of burnup credit in out-of-reactor applications involving pressurized-water- reactor (PWR) spent fuel. The efforts directed at burnup credit involving boiling-water-reactor (BWR) spent fuel have been more limited. This paper reviews the knowledge and experience gained from work performed in the United States and other countries in the study of burnup credit. Relevant physics and analysis phenomenon are identified, and an assessment of their importance to burnup credit implementation for transport and dry cask storage is given. (author)

Ground reaction forces and bone parameters in females with tibial stress fracture.

Science.gov (United States)

Bennell, Kim; Crossley, Kay; Jayarajan, Jyotsna; Walton, Elizabeth; Warden, Stuart; Kiss, Z Stephen; Wrigley, Tim

2004-03-01

Tibial stress fracture is a common overuse running injury that results from the interplay of repetitive mechanical loading and bone strength. This research project aimed to determine whether female runners with a history of tibial stress fracture (TSF) differ in ground reaction force (GRF) parameters during running, regional bone density, and tibial bone geometry from those who have never sustained a stress fracture (NSF). Thirty-six female running athletes (13 TSF; 23 NSF) ranging in age from 18 to 44 yr were recruited for this cross-sectional study. The groups were well matched for demographic, training, and menstrual parameters. A force platform measured selected GRF parameters (peak and time to peak for vertical impact and active forces, and horizontal braking and propulsive forces) during overground running at 4.0 m.s.(-1). Lumbar spine, proximal femur, and distal tibial bone mineral density were assessed by dual energy x-ray absorptiometry. Tibial bone geometry (cross-sectional dimensions and areas, and second moments of area) was calculated from a computerized tomography scan at the junction of the middle and distal thirds. There were no significant differences between the groups for any of the GRF, bone density, or tibial bone geometric parameters (P > 0.05). Both TSF and NSF subjects had bone density levels that were average or above average compared with a young adult reference range. Factor analysis followed by discriminant function analysis did not find any combinations of variables that differentiated between TSF and NSF groups. These findings do not support a role for GRF, bone density, or tibial bone geometry in the development of tibial stress fractures, suggesting that other risk factors were more important in this cohort of female runners.

Determination of 68Ga production parameters by different reactions ...

Indian Academy of Sciences (India)

Gallium-68 (1/2 = 68 min, + = 89%) is an important positron-emitting radionuclide for positron emission tomography and used in nuclear medicine for diagnosing tumours. This study gives a suitable reaction to produce 68Ga. Gallium-68 excitation function via 68Zn(, ) 68Ga, 68Zn(, 2) 68Ga, 70Zn(, 3) 68Ga and ...

Vestibular stimulation after head injury: effect on reaction times and motor speech parameters

DEFF Research Database (Denmark)

Engberg, A

1989-01-01

Earlier studies by other authors indicate that vestibular stimulation may improve attention and dysarthria in head injured patients. In the present study of five severely head injured patients and five controls, the effect of vestibular stimulation on reaction times (reflecting attention) and some...... motor speech parameters (reflecting dysarthria) was investigated. After eight weeks with regular stimulation, it was concluded that reaction time changes were individual and consistent for a given subject. Only occasionally were they shortened after stimulation. However, reaction time was lengthened...... in three cases, prohibiting further stimulation in one case. Motion sickness was prohibitive in a second case. However, after-stimulation increase of phonation time and/or vital capacity was found in one patient and four controls. Oral diadochokinetic rates were slowed in several cases. Collectively, when...

Impact parameter determination for 40Ca + 40Ca reactions using a neural network

International Nuclear Information System (INIS)

Haddad, F.; Hagel, K.; Li, J.; Mdeiwayeh, N.; Natowitz, J.B.; Wada, R.; Xiao, B.; David, C.; Freslier, M.; Aichelin, J.

1995-01-01

A neural network is used for the impact parameter determination in 40 Ca + 40 Ca reactions at energies between 35 and 70 AMeV. A special attention is devoted to the effect of experimental constraints such as the detection efficiency. An overall improvement of the impact parameter determination of 25% is obtained with the neural network. The neural network technique is then used in the analysis of the Ca+Ca data at 35 AMeV and allows separation of three different class of events among the selected 'complete' events. (authors). 8 refs., 5 figs

Determination of kinetic parameters and Hammett ρ from the synthesis of triaryl phosphites using reaction calorimetry

International Nuclear Information System (INIS)

Seiceira, Rafael C.; Higa, Camila M.; Barreto, Amaro G.; Cajaiba da Silva, Joao F.

2005-01-01

Triaryl phosphites bearing electron donating and electron withdrawing substituents were prepared through the reaction of sodium phenoxides with phosphorus trichloride. The reactions were performed in a Mettler RC1 reaction calorimeter. The main purpose of this work was the determination of Hammett ρ from the synthesis of substituted triaryl phosphites through the interpretation of calorimetric data. The phenoxide bearing a methoxide group was the most reactive, and the one bearing the nitro group was the least reactive. It was demonstrated that the reaction rate depends mainly on the addition rate of phosphorus trichloride solution. A good correlation between the Hammet parameters (σ p + ) was obtained, indicating a reaction mechanism in which a decrease of the negative charge occurs in the transition state

The 152Sm(p,n) reaction and its astrophysical importance

International Nuclear Information System (INIS)

Pohl, Moritz

2014-01-01

Within the nucleosynthetic processes of the slow neutron-capture reaction network (called the s process) the so called branching points, unstable isotopes where different nuclear reactions are competing, are important to understand. For modeling and calculating the nucleosynthesis and compare the resulting abundances to the observed ones, it is indispensable to know the branching ratios as well as the corresponding cross sections. A great challenge in measuring those rates in experiments may be the radioactivity of the isotopes involved, which can make it nearly impossible to manufacture the needed targets. In addition, in stellar environments the excited states of isotopes can be in equilibrium with the ground state, affecting the half-lives and the branching ratios significantly. The isotope 152 Eu is such a branching point, with neutron captures and β-decays competing. Those challenges were approached in the s405 experiment performed at the GSI Helmholtzzentrum fuer Schwerionenforschung GmbH: the challenge the challenge of the radioactivity can be approached by experiments carried out in inverse kinematics with radioactive beams, solving the problem of unstable targets. Also a reversed reaction was used to access the excited states of the studied isotope. The performed 152 Sm(p,n) 152 Eu is a pioneering attempt to use those methods on heavy ions. The (p,n) reaction was used as a substitute for electron capture, the focus lies on reactions with low-momentum transfers, resulting in the emission of low-energy neutrons. The new developed low-energy detector array LENA was put to test for the fist time in the s405 experiment.

Testing the new stochastic neutronic code ANET in simulating safety important parameters

International Nuclear Information System (INIS)

Xenofontos, T.; Delipei, G.-K.; Savva, P.; Varvayanni, M.; Maillard, J.; Silva, J.; Catsaros, N.

2017-01-01

Highlights: • ANET is a new neutronics stochastic code. • Criticality calculations in both subcritical and critical nuclear systems of conventional design were conducted. • Simulations of thermal, lower epithermal and fast neutron fluence rates were performed. • Axial fission rate distributions in standard and MOX fuel pins were computed. - Abstract: ANET (Advanced Neutronics with Evolution and Thermal hydraulic feedback) is an under development Monte Carlo code for simulating both GEN II/III reactors as well as innovative nuclear reactor designs, based on the high energy physics code GEANT3.21 of CERN. ANET is built through continuous GEANT3.21 applicability amplifications, comprising the simulation of particles’ transport and interaction in low energy along with the accessibility of user-provided libraries and tracking algorithms for energies below 20 MeV, as well as the simulation of elastic and inelastic collision, capture and fission. Successive testing applications performed throughout the ANET development have been utilized to verify the new code capabilities. In this context the ANET reliability in simulating certain reactor parameters important to safety is here examined. More specifically the reactor criticality as well as the neutron fluence and fission rates are benchmarked and validated. The Portuguese Research Reactor (RPI) after its conversion to low enrichment in U-235 and the OECD/NEA VENUS-2 MOX international benchmark were considered appropriate for the present study, the former providing criticality and neutron flux data and the latter reaction rates. Concerning criticality benchmarking, the subcritical, Training Nuclear Reactor of the Aristotle University of Thessaloniki (TNR-AUTh) was also analyzed. The obtained results are compared with experimental data from the critical infrastructures and with computations performed by two different, well established stochastic neutronics codes, i.e. TRIPOLI-4.8 and MCNP5. Satisfactory agreement

The importance of the tensor interaction in the (7Li, 7Be) reaction

International Nuclear Information System (INIS)

Dodd, A.C.; Clarke, N.M.; Coopersmith, J.; Griffiths, R.J.; Pearce, K.I.; Stanley, B.; Cook, J.

1985-01-01

Data for the 28 Si( 7 Li, 7 Be) 28 Al reaction at 72 MeV and for the 26 Mg( 7 Li, 7 Be) 26 Na reaction at 88 MeV are presented together with one-step DWBA calculations using microscopic form factors. The tensor interaction is shown to be important to explain the structureless nature of the angular distributions. (author)

Parameters for calculation of nuclear reactions of relevance to non-energy nuclear applications (Reference Input Parameter Library: Phase III). Summary report of the first research coordination meeting

International Nuclear Information System (INIS)

Capote Noy, R.

2004-08-01

A summary is given of the First Research Coordination Meeting on Parameters for Calculation of Nuclear Reactions of Relevance to Non-Energy Nuclear Applications (Reference Input Parameter Library: Phase III), including a critical review of the RIPL-2 file. The new library should serve as input for theoretical calculations of nuclear reaction data at incident energies up to 200 MeV, as needed for energy and non-energy modern applications of nuclear data. Technical discussions and the resulting work plan of the Coordinated Research Programme are summarized, along with actions and deadlines. Participants' contributions to the RCM are also attached. (author)

Learning about physical parameters: the importance of model discrepancy

International Nuclear Information System (INIS)

Brynjarsdóttir, Jenný; O'Hagan, Anthony

2014-01-01

Science-based simulation models are widely used to predict the behavior of complex physical systems. It is also common to use observations of the physical system to solve the inverse problem, that is, to learn about the values of parameters within the model, a process which is often called calibration. The main goal of calibration is usually to improve the predictive performance of the simulator but the values of the parameters in the model may also be of intrinsic scientific interest in their own right. In order to make appropriate use of observations of the physical system it is important to recognize model discrepancy, the difference between reality and the simulator output. We illustrate through a simple example that an analysis that does not account for model discrepancy may lead to biased and over-confident parameter estimates and predictions. The challenge with incorporating model discrepancy in statistical inverse problems is being confounded with calibration parameters, which will only be resolved with meaningful priors. For our simple example, we model the model-discrepancy via a Gaussian process and demonstrate that through accounting for model discrepancy our prediction within the range of data is correct. However, only with realistic priors on the model discrepancy do we uncover the true parameter values. Through theoretical arguments we show that these findings are typical of the general problem of learning about physical parameters and the underlying physical system using science-based mechanistic models. (paper)

Discussion of the Investigation Method on the Reaction Kinetics of Metallurgical Reaction Engineering

Science.gov (United States)

Du, Ruiling; Wu, Keng; Zhang, Jiazhi; Zhao, Yong

Reaction kinetics of metallurgical physical chemistry which was successfully applied in metallurgy (as ferrous metallurgy, non-ferrous metallurgy) became an important theoretical foundation for subject system of traditional metallurgy. Not only the research methods were very perfect, but also the independent structures and systems of it had been formed. One of the important tasks of metallurgical reaction engineering was the simulation of metallurgical process. And then, the mechanism of reaction process and the conversion time points of different control links should be obtained accurately. Therefore, the research methods and results of reaction kinetics in metallurgical physical chemistry were not very suitable for metallurgical reaction engineering. In order to provide the definite conditions of transmission, reaction kinetics parameters and the conversion time points of different control links for solving the transmission and reaction equations in metallurgical reaction engineering, a new method for researching kinetics mechanisms in metallurgical reaction engineering was proposed, which was named stepwise attempt method. Then the comparison of results between the two methods and the further development of stepwise attempt method were discussed in this paper. As a new research method for reaction kinetics in metallurgical reaction engineering, stepwise attempt method could not only satisfy the development of metallurgical reaction engineering, but also provide necessary guarantees for establishing its independent subject system.

Study of the main parameters involved in carbothermal reduction reaction of silica aiming to obtain silicon nitride powder

International Nuclear Information System (INIS)

Rocha, J.C. da; Greca, M.C.

1989-01-01

The influence of main parameters involved in the method of silicon nitride attainment by carbothermal reduction of silica followed by nitridation were studied in isothermal experiments of fine powder mixtures of silica and graphite in a nitrogen gas flow. The time, temperature, rate C/SiO 2 and flow of nitrogen were varied since they are the main parameters involved in this kind of reaction. The products of reaction were analysed by X-ray diffraction to identify the crystalline phases and as a result was obtained the nucleation of silicon nitride phase. Meanwhile, corroborating prior results, we verified to be difficult the progress of the reaction and the inhibition of formation of silicon carbide phase, the last one being associated to the formation of silicon nitride phase due to thermodynamic matters [pt

Formulation of eb-curable epoxy resin : some important parameters

International Nuclear Information System (INIS)

Dahlan bin Haji Mohd; Hosoi, Fumio; Sasaki, Takashi

1989-01-01

The works on the electron-beam curing of surface coatings using epoxy acrylic-based resins were discussed. The works covered among other things the effect of molecular weights of the resins on the physical properties of coatings and their physical and chemical characterizations. The emphasis was given to formulating the resins applicable to surface coatings. Curings were done on a low-energy electron beam accelerator operating at 250 kV. A number of parameters deemed important to formulations, such as the molecular weights of the oligomers and monomers, monomer ratios, and HEA additions were explored. It was found that one could modify the physical properties of the coatings by changing or adjusting those parameters. (author)

Determination of thermodynamic parameters for enolization reaction of malonic and metylmalonic acids by using quartz crystal microbalance

Directory of Open Access Journals (Sweden)

Minoru Yoshimoto

2016-06-01

Full Text Available We investigated the process of a bromination reaction of malonic acid and methylmalonic acid in the Belousov-Zhabotinsky reaction by using a quartz crystal microbalance (QCM. The process involves an enolization reaction as a rate-determining step. We found that, in the step, the variation of Br2 concentration induced an exactly quantitative shift of a resonant frequency of the QCM, based on the change of the surface mass on the QCM and the solution viscosity and density. This new finding enabled us to estimate the reaction rate constants and the thermodynamic parameters of the enolization reaction due to a QCM measurement. The values measured by the QCM were in good agreement with those measured by a UV-spectrophotometer. As a result, we succeeded to develop a new measurement method of a nonlinear chemical reaction.

Multi-scale modeling of diffusion-controlled reactions in polymers: renormalisation of reactivity parameters.

Science.gov (United States)

Everaers, Ralf; Rosa, Angelo

2012-01-07

The quantitative description of polymeric systems requires hierarchical modeling schemes, which bridge the gap between the atomic scale, relevant to chemical or biomolecular reactions, and the macromolecular scale, where the longest relaxation modes occur. Here, we use the formalism for diffusion-controlled reactions in polymers developed by Wilemski, Fixman, and Doi to discuss the renormalisation of the reactivity parameters in polymer models with varying spatial resolution. In particular, we show that the adjustments are independent of chain length. As a consequence, it is possible to match reactions times between descriptions with different resolution for relatively short reference chains and to use the coarse-grained model to make quantitative predictions for longer chains. We illustrate our results by a detailed discussion of the classical problem of chain cyclization in the Rouse model, which offers the simplest example of a multi-scale descriptions, if we consider differently discretized Rouse models for the same physical system. Moreover, we are able to explore different combinations of compact and non-compact diffusion in the local and large-scale dynamics by varying the embedding dimension.

Excitation functions and isotopic effects in (n, p) reactions for stable nickel isotopes from reaction threshold to 20 MeV

Energy Technology Data Exchange (ETDEWEB)

Lalremruata, B. [Department of Physics, University of Pune, Ganeshkhind, Pune-411007, Maharashtra (India)], E-mail: marema@physics.unipune.ernet.in; Ganesan, S. [Reactor Physics Design Division, BARC, Mumbai 58 (India); Bhoraskar, V.N. [Department of Physics, University of Pune, Ganeshkhind, Pune-411007, Maharashtra (India)], E-mail: vnb@physics.unipune.ernet; Dhole, S.D. [Department of Physics, University of Pune, Ganeshkhind, Pune-411007, Maharashtra (India)], E-mail: sanjay@physics.unipune.ernet.in

2009-05-01

The excitation function for (n, p) reactions from reaction threshold to 20 MeV on five nickel isotopes viz; {sup 58}Ni, {sup 60}Ni, {sup 61}Ni, {sup 62}Ni and {sup 64}Ni were calculated using Talys-1.0 nuclear model code involving the fixed set of global parameters. A good agreement between the calculated and measured data is obtained with minimum effort on parameter fitting and only one free parameter called 'Shell damping factor'. This is of importance to the validation of nuclear model approaches with increased predictive power. The systematic decrease in (n, p) cross-sections with increasing neutron number in reactions induced by neutrons on isotopes of nickel is explained in terms of the proton separation energy and the pre-equilibrium model. The compound nucleus and pre-equilibrium reaction mechanism as well as the isotopic effects were also studied.

Analysis of kinetic reaction mechanisms

CERN Document Server

Turányi, Tamás

2014-01-01

Chemical processes in many fields of science and technology, including combustion, atmospheric chemistry, environmental modelling, process engineering, and systems biology, can be described by detailed reaction mechanisms consisting of numerous reaction steps. This book describes methods for the analysis of reaction mechanisms that are applicable in all these fields. Topics addressed include: how sensitivity and uncertainty analyses allow the calculation of the overall uncertainty of simulation results and the identification of the most important input parameters, the ways in which mechanisms can be reduced without losing important kinetic and dynamic detail, and the application of reduced models for more accurate engineering optimizations. This monograph is invaluable for researchers and engineers dealing with detailed reaction mechanisms, but is also useful for graduate students of related courses in chemistry, mechanical engineering, energy and environmental science and biology.

Tattoo-Associated Skin Reaction: The Importance of an Early Diagnosis and Proper Treatment

Science.gov (United States)

Bassi, Andrea; Campolmi, Piero; Cannarozzo, Giovanni; Conti, Rossana; Bruscino, Nicola; Gola, Massimo; Ermini, Stefano; Massi, Daniela; Moretti, Silvia

2014-01-01

Tattoo is going to be a very common practice especially among young people and we are witnessing a gradual increase of numerous potential complications to tattoo placement which are often seen by physicians, but generally unknown to the public. The most common skin reactions to tattoo include a transient acute inflammatory reaction due to trauma of the skin with needles and medical complications such as superficial and deep local infections, systemic infections, allergic contact dermatitis, photodermatitis, granulomatous and lichenoid reactions, and skin diseases localized on tattooed area (eczema, psoriasis, lichen, and morphea). Next to these inflammatory skin reactions we have to consider also the possibility of the development of cutaneous conditions such as pseudolymphomatous reactions and pseudoepitheliomatous hyperplasia. The aim of this study is to underline the importance of an early diagnosis by performing a histological examination especially when we are in front of suspected papulonodular lesions arising from a tattoo, followed by a proper treatment, since cutaneous neoplastic evolution is known to be a rare but possible complication. PMID:25147796

Accurate prediction of severe allergic reactions by a small set of environmental parameters (NDVI, temperature).

Science.gov (United States)

Notas, George; Bariotakis, Michail; Kalogrias, Vaios; Andrianaki, Maria; Azariadis, Kalliopi; Kampouri, Errika; Theodoropoulou, Katerina; Lavrentaki, Katerina; Kastrinakis, Stelios; Kampa, Marilena; Agouridakis, Panagiotis; Pirintsos, Stergios; Castanas, Elias

2015-01-01

Severe allergic reactions of unknown etiology,necessitating a hospital visit, have an important impact in the life of affected individuals and impose a major economic burden to societies. The prediction of clinically severe allergic reactions would be of great importance, but current attempts have been limited by the lack of a well-founded applicable methodology and the wide spatiotemporal distribution of allergic reactions. The valid prediction of severe allergies (and especially those needing hospital treatment) in a region, could alert health authorities and implicated individuals to take appropriate preemptive measures. In the present report we have collecterd visits for serious allergic reactions of unknown etiology from two major hospitals in the island of Crete, for two distinct time periods (validation and test sets). We have used the Normalized Difference Vegetation Index (NDVI), a satellite-based, freely available measurement, which is an indicator of live green vegetation at a given geographic area, and a set of meteorological data to develop a model capable of describing and predicting severe allergic reaction frequency. Our analysis has retained NDVI and temperature as accurate identifiers and predictors of increased hospital severe allergic reactions visits. Our approach may contribute towards the development of satellite-based modules, for the prediction of severe allergic reactions in specific, well-defined geographical areas. It could also probably be used for the prediction of other environment related diseases and conditions.

Focusing on a Probability Element: Parameter Selection of Message Importance Measure in Big Data

OpenAIRE

She, Rui; Liu, Shanyun; Dong, Yunquan; Fan, Pingyi

2017-01-01

Message importance measure (MIM) is applicable to characterize the importance of information in the scenario of big data, similar to entropy in information theory. In fact, MIM with a variable parameter can make an effect on the characterization of distribution. Furthermore, by choosing an appropriate parameter of MIM,it is possible to emphasize the message importance of a certain probability element in a distribution. Therefore, parametric MIM can play a vital role in anomaly detection of bi...

Importance of the tensor interaction in the (/sup 7/Li, /sup 7/Be) reaction

Energy Technology Data Exchange (ETDEWEB)

Dodd, A.C.; Clarke, N.M.; Coopersmith, J.; Griffiths, R.J.; Pearce, K.I.; Stanley, B.; Cook, J.

1985-09-01

Data for the /sup 28/Si(/sup 7/Li, /sup 7/Be)/sup 28/Al reaction at 72 MeV and for the /sup 26/Mg(/sup 7/Li, /sup 7/Be)/sup 26/Na reaction at 88 MeV are presented together with one-step DWBA calculations using microscopic form factors. The tensor interaction is shown to be important to explain the structureless nature of the angular distributions.

Reactions of sulfur atoms. XV. Absolute rate parameters for the S(3P210) + alkyne reactions

International Nuclear Information System (INIS)

van Roodselaar, A.; Safarik, I.; Strausz, O.P.; Gunning, H.E.

1978-01-01

Using flash photolysis with vacuum uv kinetic absorption spectroscopy, absolute rate constants and Arrhenius parameters have been measured for the addition of ground state S( 3 P 2 , 1 , 0 ) atoms to alkynes. The decay of sulfur atoms in COS, alkyne, and CO 2 -diluent mixtures is first order in sulfur atom concentration and the first-order decay rate constants are proportional to the alkyne concentration. The following rate constants were determined at room temperature: k(C 2 H 2 ) = k(C 2 D 2 ) + (2.3 +- 0.4) x 10 8 ; k(CHCCH 3 ) = (4.8 +- 0.2) x 10 9 ; k(CHCC 2 H 5 ) = (3.3 +- 0.2) x 10 9 ; k(CH 3 CCCH 3 ) = 1.6 +- 0.2) x 10 10 ; k(CH 3 CCC 2 C 5 ) = 1.8 +- 0.3) x 10 10 ; and k(CF 3 CCCF 3 ) = (2.1 +- 0.4) x 10 8 L mol -1 s -1 . The Arrhenius parameters determined are k(C 2 H 2 ) = (3.4 +- 1.9) x 10 10 exp[(-3000 +- 400)/RT] L mol -1 s -1 and k(CHCCH 3 ) = (2.0 +- 1.2) x 10 10 exp[(-900 +- 200)/RT] L mol -1 s -1 where error limits represent standard deviations. The rate parameters are compared to those obtained for the addition of other electrophilic reagents to alkynes and the results discussed in terms of structural and kinetic factors. Theoretical treatment of the secondary H/D isotope effect in the acetylene reaction satisfactorily reproduces the experimental value. 5 tables, 4 figures, 59 references

The Importance of Vocal Parameters Correlation

Directory of Open Access Journals (Sweden)

Valentin Ghisa

2016-06-01

Full Text Available To analyze communication we need to study the main parameters that describe the vocal sounds from the point of view of information content transfer efficiency. In this paper we analyze the physical quality of the “on air" information transfer, according to the audio streaming parameters and from the particular phonetic nature of the human factor. Applying this statistical analysis we aim to identify and record the correlation level of the acoustical parameters with the vocal ones and the impact which the presence of this cross-correlation can have on communication structures’ improvement.

Unravelling the Maillard reaction network by multiresponse kinetic modelling

NARCIS (Netherlands)

Martins, S.I.F.S.

2003-01-01

The Maillard reaction is an important reaction in food industry. It is responsible for the formation of colour and aroma, as well as toxic compounds as the recent discovered acrylamide. The knowledge of kinetic parameters, such as rate constants and activation energy, is necessary to predict its

Stochastic exponential stability of the delayed reaction-diffusion recurrent neural networks with Markovian jumping parameters

International Nuclear Information System (INIS)

Wang Linshan; Zhang Zhe; Wang Yangfan

2008-01-01

Some criteria for the global stochastic exponential stability of the delayed reaction-diffusion recurrent neural networks with Markovian jumping parameters are presented. The jumping parameters considered here are generated from a continuous-time discrete-state homogeneous Markov process, which are governed by a Markov process with discrete and finite state space. By employing a new Lyapunov-Krasovskii functional, a linear matrix inequality (LMI) approach is developed to establish some easy-to-test criteria of global exponential stability in the mean square for the stochastic neural networks. The criteria are computationally efficient, since they are in the forms of some linear matrix inequalities

The reaction O((3)P) + HOBr: Temperature dependence of the rate constant and importance of the reaction as an HOBr stratospheric loss process

Science.gov (United States)

Nesbitt, F. L.; Monks, P. S.; Payne, W. A.; Stief, L. J.; Toumi, R.

1995-01-01

The absolute rate constant for the reaction O((3)P) + HOBr has been measured between T = 233K and 423K using the discharge-flow kinetic technique coupled to mass spectrometric detection. The value of the rate coefficient at room temperature is (2.5 +/- 0.6) x 10(exp -11)cu cm/molecule/s and the derived Arrhenius expression is (1.4 +/- 0.5) x 10(exp -10) exp((-430 +/- 260)/T)cu cm/molecule/s. From these rate data the atmospheric lifetime of HOBr with respect to reaction with O((3)P) is about 0.6h at z = 25 km which is comparable to the photolysis lifetime based on recent measurements of the UV cross section for HOBr. Implications for HOBr loss in the stratosphere have been tested using a 1D photochemical box model. With the inclusion of the rate parameters and products for the O + HOBr reaction, calculated concentration profiles of BrO increase by up to 33% around z = 35 km. This result indicates that the inclusion of the O + HOBr reaction in global atmospheric chemistry models may have an impact on bromine partitioning in the middle atmosphere.

Modeling of Reaction Calorimeter

OpenAIRE

Farzad, Reza

2014-01-01

The purpose of this project was to model the reaction calorimeter in order to calculate the heat of absorption which is the most important parameter in this work. Reaction calorimeter is an apparatus which is used in measuring the heat of absorption of CO2 as well as the total pressure in vapor phase based on vapor-liquid equilibrium state. Mixture of monoethanolamine (MEA) and water was used as a solvent to absorb the CO2.Project was divided in to three parts in order to make the programming...

On possibility of measuring G and H parameters in the γp→nπ+ and γp → pπ0 reactions

International Nuclear Information System (INIS)

Gorbenko, V.G.; Gushchin, V.A.; Karnaukhov, I.M.; Kolesnikov, L.Ya.; Sporov, E.A.; Telegin, Yu.N.; Sorokin, P.V.

1982-01-01

Possibilities for measuring G and H-parameters in γp → nπ + and γp → pπ 0 reactions in a twice-polarized experiment using linearly-polarized photons and polarized proton target with proton polarization in the reaction plane are considered. Particle trajectories in the magnetic field of the polarized proton target are calculated, limitations in possible experiments are shown which are connected with particle deviation from the plane of magnetic spectrometers. On the basis of calculations of the trajectory the ranges for possible measurements of parameters for different reactions for the routine regime of target operation and the frosen spin regime are shown

The relationship of microstructure and temperature to fracture mechanics parameters in reaction bonded silicon nitride

International Nuclear Information System (INIS)

Jennings, H.M.; Dalgleish, B.J.; Pratt, P.L.

1978-01-01

The development of physical properties in reaction bonded silicon nitride has been investigated over a range of temperatures and correlated with microstructure. Fracture mechanics parameters, elastic moduli, strength and critical defect size have been determined. The nitrided microstructure is shown to be directly related to these observed properties and these basic relationships can be used to produce material with improved properties. (orig.) [de

Measurement of inertial confinement fusion reaction rate

International Nuclear Information System (INIS)

Peng Xiaoshi; Wang Feng; Tang Daorun; Liu Shenye; Huang Tianxuan; Liu Yonggang; Xu Tao; Chen Ming; Mei Yu

2011-01-01

Fusion reaction rate is an important parameter for measuring compression during the implosion in inertial confinement fusion experiment. We have developed a system for fusion reaction history measurement with high temporal resolution. The system is composed of plastic scintillator and nose cone, optical system and streak camera. We have applied this system on the SG-III prototype for fusion reaction rate measuring. For the first time, fusion reaction rate history have been measured for deuterium-tritium filled targets with neutrons yields about 10 10 . We have analyzed possible influence factor during fusion reaction rate measuring. It indicates that the instrument measures fusion reaction bang time at temporal resolutions as low as 30 ps.(authors)

Comparative analysis of partial imaging performance parameters of home and imported X-ray machines

International Nuclear Information System (INIS)

Cao Yunxi; Wang Xianyun; Liu Huiqin; Guo Yongxin

2002-01-01

Objective: To compare and analyze the performance indexes and the imaging quality of the home and imported X-ray machines through testing their partial imaging performance parameters. Methods: By separate sampling from 10 home and 10 imported X-ray machines, the parameters including tube current, time of exposure, machine total exposure, and repeatability were tested, and the imaging performance was evaluated according to the national standard. Results: All the performance indexes met the standard of GB4505-84. The first sampling tests showed the maximum changing coefficient of imaging performance repeatability of the home X-ray machines was Δmax1 = 0.025, while that of the imported X-ray machine was Δmax1 = 0.016. In the second sampling tests, the maximum changing coefficients of the two were Δmax2 = 0.048 and Δmax2 = 0.022, respectively. Conclusion: The 2 years' follow-up tests indicate that there is no significant difference between the above-mentioned parameters of the elaborately adjusted home X-ray machines and imported ones, but the home X-ray machines are no better than the imported X-ray machines in stability and consistency

Laser thermal effect on silicon nitride ceramic based on thermo-chemical reaction with temperature-dependent thermo-physical parameters

International Nuclear Information System (INIS)

Pan, A.F.; Wang, W.J.; Mei, X.S.; Wang, K.D.; Zhao, W.Q.; Li, T.Q.

2016-01-01

Highlights: • A two-dimensional thermo-chemical reaction model is creatively built. • Thermal conductivity and heat capacity of β-Si_3N_4 are computed accurately. • The appropriate thermo-chemical reaction rate is fitted and reaction element length is set to assure the constringency. • The deepest ablated position was not the center of the ablated area due to plasma absorption. • The simulation results demonstrate the thermo-chemical process cant be simplified to be physical phase transition. - Abstract: In this study, a two-dimensional thermo-chemical reaction model with temperature-dependent thermo-physical parameters on Si_3N_4 with 10 ns laser was developed to investigate the ablated size, volume and surface morphology after single pulse. For model parameters, thermal conductivity and heat capacity of β-Si_3N_4 were obtained from first-principles calculations. Thermal-chemical reaction rate was fitted by collision theory, and then, reaction element length was deduced using the relationship between reaction rate and temperature distribution. Furthermore, plasma absorption related to energy loss was approximated as a function of electron concentration in Si_3N_4. It turned out that theoretical ablated volume and radius increased and then remained constant with increasing laser energy, and the maximum ablated depth was not in the center of the ablated zone. Moreover, the surface maximum temperature of Si_3N_4 was verified to be above 3000 K within pulse duration, and it was much higher than its thermal decomposition temperature of 1800 K, which indicated that Si_3N_4 was not ablated directly above the thermal decomposition temperature. Meanwhile, the single pulse ablation of Si_3N_4 was performed at different powers using a TEM_0_0 10 ns pulse Nd:YAG laser to validate the model. The model showed a satisfactory consistence between the experimental data and numerical predictions, presenting a new modeling technology that may significantly increase the

The transverse momenta in the exclusive reactions at intermediate energies a parameter to mesure the transversity

International Nuclear Information System (INIS)

Armenise, N.; Fogli Muciaccia, M.T.; Nuzzo, S.

1977-01-01

The definition of a parameter usefull to measure the transversity is given. Some reactions at 9GeV/c are examined and the channels are selected looking at the behaviour of global transverse momenta of the event. A few comparisons with other variables, used to select the channels characterized by different production processes are reported

Evaluation of the implementation of the R-matrix formalism with reference to the astrophysically important {sup 18}F(p,α){sup 15}O reaction

Energy Technology Data Exchange (ETDEWEB)

Mountford, D.J., E-mail: d.j.mountford86@gmail.com [SUPA, School of Physics and Astronomy, University of Edinburgh, EH9 3JZ (United Kingdom); Boer, R.J. de [Department of Physics, University of Notre Dame, Notre Dame, Indiana 46556 (United States); Descouvemont, P. [Physique Nucléaire Théorique et Physique Mathématique, C.P. 229, Université Libre de Bruxelles (ULB), B 1050 Brussels (Belgium); Murphy, A. St. J. [SUPA, School of Physics and Astronomy, University of Edinburgh, EH9 3JZ (United Kingdom); Uberseder, E.; Wiescher, M. [Department of Physics, University of Notre Dame, Notre Dame, Indiana 46556 (United States)

2014-12-11

Background. The R-Matrix formalism is a crucial tool in the study of nuclear astrophysics reactions, and many codes have been written to implement the relevant mathematics. One such code makes use of Visual Basic macros. A further open-source code, AZURE, written in the FORTRAN programming language is available from the JINA collaboration and a C++ version, AZURE2, has recently become available. Purpose The detailed mathematics and extensive programming required to implement broadly applicable R-Matrix codes make comparisons between different codes highly desirable in order to check for errors. This paper presents a comparison of the three codes based around data and recent results of the astrophysically important {sup 18}F(p,α){sup 15}O reaction. Methods Using the same analysis techniques as in the work of Mountford et al. parameters are extracted from the two JINA codes, and the resulting cross-sections are compared. This includes both refitting data with each code and making low-energy extrapolations. Results All extracted parameters are shown to be broadly consistent between the three codes and the resulting calculations are in good agreement barring a known low-energy problem in the original AZURE code. Conclusion The three codes are shown to be broadly consistent with each other and equally valid in the study of astrophysical reactions, although one must be careful when considering low lying, narrow resonances which can be problematic when integrating.

Calculation of nuclear reaction parameters with the generator co-ordinate method and their interpretation

International Nuclear Information System (INIS)

Beck, R.; Mihailovic, M.V.; Poljsak, M.

1980-05-01

Collisions between complex nuclei are described variationally in terms of the GCM with the aim to provide an evidence that it is a manageable calculational procedure. The variational principle of Kohn and Kato is used to derive the expression for the K matrix. The space of scattering states is spanned entirely by antisymmetrized products of shell model wave functions describing separate clusters; the generator coordinate is the separation between the two shell model potentials. Scattering boundary conditions are enforced by solving an integral equation for the channel GC amplitude in each open channel separately. The main part of evaluation of collision parameters is performed by calculating double integrals of a form factor between channel GC amplitudes. A theorem about a property of the form factors is proved which allows reduction of the amount of work needed to calculate double integrals. The application of the method to the elastic 3 H to 4 He scattering has shown the feasibility of the calculation. It is shown how an analysis of calculated scattering parameters and corresponding scattering states in terms of quasibound states enables one to make a consistent comparison with experiment and to extract some knowledge of the reaction mechanism. Finally a comparative list of the calculational procedures of the GCM and RGM for reactions is made. (author)

Assessment of changes in gait parameters and vertical ground reaction forces after total hip arthroplasty

Directory of Open Access Journals (Sweden)

Bhargava P

2007-01-01

Full Text Available The principal objectives of arthroplasty are relief of pain and enhancement of range of motion. Currently, postoperative pain and functional capacity are assessed largely on the basis of subjective evaluation scores. Because of the lack of control inherent in this method it is often difficult to interpret data presented by different observers in the critical evaluation of surgical method, new components and modes of rehabilitation. Gait analysis is a rapid, simple and reliable method to assess functional outcome. This study was undertaken in an effort to evaluate the gait characteristics of patients who underwent arthroplasty, using an Ultraflex gait analyzer. Materials and Methods: The study was based on the assessment of gait and weight-bearing pattern of both hips in patients who underwent total hip replacement and its comparison with an age and sex-matched control group. Twenty subjects of total arthroplasty group having unilateral involvement, operated by posterior approach at our institution with a minimum six-month postoperative period were selected. Control group was age and sex-matched, randomly selected from the general population. Gait analysis was done using Ultraflex gait analyzer. Gait parameters and vertical ground reaction forces assessment was done by measuring the gait cycle properties, step time parameters and VGRF variables. Data of affected limb was compared with unaffected limb as well as control group to assess the weight-bearing pattern. Statistical analysis was done by′t′ test. Results: Frequency is reduced and gait cycle duration increased in total arthroplasty group as compared with control. Step time parameters including Step time, Stance time and Single support time are significantly reduced ( P value < .05 while Double support time and Single swing time are significantly increased ( P value < .05 in the THR group. Forces over each sensor are increased more on the unaffected limb of the THR group as compared to

Degradation of ibuprofen by hydrodynamic cavitation: Reaction pathways and effect of operational parameters.

Science.gov (United States)

Musmarra, Dino; Prisciandaro, Marina; Capocelli, Mauro; Karatza, Despina; Iovino, Pasquale; Canzano, Silvana; Lancia, Amedeo

2016-03-01

Ibuprofen (IBP) is an anti-inflammatory drug whose residues can be found worldwide in natural water bodies resulting in harmful effects to aquatic species even at low concentrations. This paper deals with the degradation of IBP in water by hydrodynamic cavitation in a convergent-divergent nozzle. Over 60% of ibuprofen was degraded in 60 min with an electrical energy per order (EEO) of 10.77 kWh m(-3) at an initial concentration of 200 μg L(-1) and a relative inlet pressure pin=0.35 MPa. Five intermediates generated from different hydroxylation reactions were identified; the potential mechanisms of degradation were sketched and discussed. The reaction pathways recognized are in line with the relevant literature, both experimental and theoretical. By varying the pressure upstream the constriction, different degradation rates were observed. This effect was discussed according to a numerical simulation of the hydroxyl radical production identifying a clear correspondence between the maximum kinetic constant kOH and the maximum calculated OH production. Furthermore, in the investigated experimental conditions, the pH parameter was found not to affect the extent of degradation; this peculiar feature agrees with a recently published kinetic insight and has been explained in the light of the intermediates of the different reaction pathways. Copyright © 2015 Elsevier B.V. All rights reserved.

Calculation of parameter failure probability of thermodynamic system by response surface and importance sampling method

International Nuclear Information System (INIS)

Shang Yanlong; Cai Qi; Chen Lisheng; Zhang Yangwei

2012-01-01

In this paper, the combined method of response surface and importance sampling was applied for calculation of parameter failure probability of the thermodynamic system. The mathematics model was present for the parameter failure of physics process in the thermodynamic system, by which the combination arithmetic model of response surface and importance sampling was established, then the performance degradation model of the components and the simulation process of parameter failure in the physics process of thermodynamic system were also present. The parameter failure probability of the purification water system in nuclear reactor was obtained by the combination method. The results show that the combination method is an effective method for the calculation of the parameter failure probability of the thermodynamic system with high dimensionality and non-linear characteristics, because of the satisfactory precision with less computing time than the direct sampling method and the drawbacks of response surface method. (authors)

Evaluation of reaction mechanisms and the kinetic parameters for the transesterification of castor oil by liquid enzymes

DEFF Research Database (Denmark)

Andrade, Thalles Allan; Errico, Massimiliano; Christensen, Knud Villy

2017-01-01

of the transesterification of castor oil with methanol using the enzyme Eversa® Transform as catalyst were investigated. Reactions were carried out for 8 hours at 35 °C with: an alcohol-to-oil molar ratio equal to 6:1, a 5 wt% of liquid enzyme solution and addition of 5 wt% of water by weight of castor oil. From...... methanolysis rates of glycerides obtained, indicated that transesterification dominates over hydrolysis. The mechanism among the four models proposed that gave the best fit could be simplified, eliminating the kinetic parameters with negligible effects on the reaction rates. This model was able to fit...

A concise summary of experimental facts about the Soai reaction.

Science.gov (United States)

Gehring, Timo; Busch, Mark; Schlageter, Martin; Weingand, Daniel

2010-01-01

The Soai reaction amplifies small enantiomeric excesses in a spectacular manner. Being known for 20 years, it has drawn the attention of many scientists in different fields as it is to date the only chemical reaction offering the chance to study the phenomenon of asymmetric autocatalysis in conjunction with high amplification of enantiomeric excess (ee). This mini-review comprises an introduction to the discovery of asymmetric autocatalysis with amplification of ee and a concise summary of published experimental results showing which starting materials and reaction parameters play an important role in this reaction and which influences are understood. It is addressed especially to scientists entering the field of the Soai reaction to get a quick overview of important aspects. © 2010 Wiley-Liss, Inc.

Similarity of Ferrosilicon Submerged Arc Furnaces With Different Geometrical Parameters

Directory of Open Access Journals (Sweden)

Machulec B.

2017-12-01

Full Text Available In order to determine reasons of unsatisfactory production output regarding one of the 12 MVA furnaces, a comparative analysis with a furnace of higher power that showed a markedly better production output was performed. For comparison of ferrosilicon furnaces with different geometrical parameters and transformer powers, the theory of physical similarity was applied. Geometrical, electrical and thermal parameters of the reaction zones are included in the comparative analysis. For furnaces with different geometrical parameters, it is important to ensure the same temperature conditions of the reaction zones. Due to diverse mechanisms of heat generation, different criteria for determination of thermal and electrical similarity for the upper and lower reaction zones were assumed contrary to other publications. The parameter c3 (Westly was assumed the similarity criterion for the upper furnace zones where heat is generated as a result of resistive heating while the parameter J1 (Jaccard was assumed the similarity criterion for the lower furnace zones where heat is generated due to arc radiation.

Minimum Energy Pathways for Chemical Reactions

Science.gov (United States)

Walch, S. P.; Langhoff, S. R. (Technical Monitor)

1995-01-01

Computed potential energy surfaces are often required for computation of such parameters as rate constants as a function of temperature, product branching ratios, and other detailed properties. We have found that computation of the stationary points/reaction pathways using CASSCF/derivative methods, followed by use of the internally contracted CI method to obtain accurate energetics, gives useful results for a number of chemically important systems. The talk will focus on a number of applications to reactions leading to NOx and soot formation in hydrocarbon combustion.

A sensitivity analysis method for the body segment inertial parameters based on ground reaction and joint moment regressor matrices.

Science.gov (United States)

Futamure, Sumire; Bonnet, Vincent; Dumas, Raphael; Venture, Gentiane

2017-11-07

This paper presents a method allowing a simple and efficient sensitivity analysis of dynamics parameters of complex whole-body human model. The proposed method is based on the ground reaction and joint moment regressor matrices, developed initially in robotics system identification theory, and involved in the equations of motion of the human body. The regressor matrices are linear relatively to the segment inertial parameters allowing us to use simple sensitivity analysis methods. The sensitivity analysis method was applied over gait dynamics and kinematics data of nine subjects and with a 15 segments 3D model of the locomotor apparatus. According to the proposed sensitivity indices, 76 segments inertial parameters out the 150 of the mechanical model were considered as not influent for gait. The main findings were that the segment masses were influent and that, at the exception of the trunk, moment of inertia were not influent for the computation of the ground reaction forces and moments and the joint moments. The same method also shows numerically that at least 90% of the lower-limb joint moments during the stance phase can be estimated only from a force-plate and kinematics data without knowing any of the segment inertial parameters. Copyright © 2017 Elsevier Ltd. All rights reserved.

Is H Atom Abstraction Important in the Reaction of Cl with 1-Alkenes?

Science.gov (United States)

Walavalkar, M P; Vijayakumar, S; Sharma, A; Rajakumar, B; Dhanya, S

2016-06-23

The relative yields of products of the reaction of Cl atoms with 1-alkenes (C4-C9) were determined to see whether H atom abstraction is an important channel and if it is to identify the preferred position of abstraction. The presence of all the possible positional isomers of long chain alkenones and alkenols among the products, along with chloroketones and chloroalcohols, confirms the occurrence of H atom abstraction. A consistent pattern of distribution of abstraction products is observed with oxidation at C4 (next to allyl) being the lowest and that at CH2 groups away from the double bond being the highest. This contradicts with the higher stability of allyl (C3) radical. For a better understanding of the relative reactivity, ab initio calculations at MP2/6-311+G (d,p) level of theory are carried out in the case of 1-heptene. The total rate coefficient, calculated using conventional transition state theory, was found to be in good agreement with the experimental value at room temperature. The preferred position of Cl atom addition is predicted to be the terminal carbon atom, which matches with the experimental observation, whereas the rate coefficients calculated for individual channels of H atom abstraction do not explain the observed pattern of products. The distribution of abstraction products except at C4 is found to be better explained by reported structure activity relationship, developed from experimental rate coefficient data. This implies the reactions to be kinetically dictated and emphasizes the importance of secondary reactions.

Importance of d-wave contributions in the charge symmetry breaking reaction dd →4Heπ0

Science.gov (United States)

Adlarson, P.; Augustyniak, W.; Bardan, W.; Bashkanov, M.; Bergmann, F. S.; Berłowski, M.; Bondar, A.; Büscher, M.; Calén, H.; Ciepał, I.; Clement, H.; Czerwiński, E.; Demmich, K.; Engels, R.; Erven, A.; Erven, W.; Eyrich, W.; Fedorets, P.; Föhl, K.; Fransson, K.; Goldenbaum, F.; Goswami, A.; Grigoryev, K.; Gullström, C.-O.; Hanhart, C.; Heijkenskjöld, L.; Hejny, V.; Hüsken, N.; Jarczyk, L.; Johansson, T.; Kamys, B.; Kemmerling, G.; Khatri, G.; Khoukaz, A.; Khreptak, O.; Kirillov, D. A.; Kistryn, S.; Kleines, H.; Kłos, B.; Krzemień, W.; Kulessa, P.; Kupść, A.; Kuzmin, A.; Lalwani, K.; Lersch, D.; Lorentz, B.; Magiera, A.; Maier, R.; Marciniewski, P.; Mariański, B.; Morsch, H.-P.; Moskal, P.; Ohm, H.; Parol, W.; Perez del Rio, E.; Piskunov, N. M.; Prasuhn, D.; Pszczel, D.; Pysz, K.; Pyszniak, A.; Ritman, J.; Roy, A.; Rudy, Z.; Rundel, O.; Sawant, S.; Schadmand, S.; Schätti-Ozerianska, I.; Sefzick, T.; Serdyuk, V.; Shwartz, B.; Sitterberg, K.; Skorodko, T.; Skurzok, M.; Smyrski, J.; Sopov, V.; Stassen, R.; Stepaniak, J.; Stephan, E.; Sterzenbach, G.; Stockhorst, H.; Ströher, H.; Szczurek, A.; Trzciński, A.; Wolke, M.; Wrońska, A.; Wüstner, P.; Yamamoto, A.; Zabierowski, J.; Zieliński, M. J.; Złomańczuk, J.; Żuprański, P.; Żurek, M.; WASA-at-COSY Collaboration

2018-06-01

This letter reports a first quantitative analysis of the contribution of higher partial waves in the charge symmetry breaking reaction dd →4Heπ0 using the WASA-at-COSY detector setup at an excess energy of Q = 60MeV. The determined differential cross section can be parametrized as d σ /d Ω = a + bcos2 ⁡θ*, where θ* is the production angle of the pion in the center-of-mass coordinate system, and the results for the parameters are a = (1.55 ± 0.46(stat) + 0.32 - 0.8 (syst)) pb /sr and b = (13.1 ± 2.1 (stat)-2.7+1.0 (syst)) pb /sr. The data are compatible with vanishing p-waves and a sizable d-wave contribution. This finding should strongly constrain the contribution of the Δ isobar to the dd →4Heπ0 reaction and is, therefore, crucial for a quantitative understanding of quark mass effects in nuclear production reactions.

Determination of 68Ga production parameters by different reactions ...

Indian Academy of Sciences (India)

function of 68Zn(p, n)68Ga reaction was compared with the reported ... 2.1.1 Brief description of nuclear models applied for cross-section calculations ... tion of isotope impurities is not possible by chemical methods, so this reaction is.

Theoretical calculations of the reaction cross-sections for proton-induced reactions on natural copper using ALICE-IPPE code

International Nuclear Information System (INIS)

Alharbi, A.A.; Azzam, A.

2012-01-01

A theoretical study of the nuclear-reaction cross sections for proton-induced reactions on 63 Cu and 65 Cu was performed in the proton energy range from threshold values up to 50 MeV. The produced nuclei were different isotopes of Zn, Cu, Ni, Co and Mn, some of which have important applications. The reaction cross-section calculations were performed using the ALICE-IPPE code, which depends on the pre-equilibrium compound nucleus model. This code is suitable for the studied energy and isotopic mass ranges. Approximately 14 excitation functions for the different reactions have been constructed from the calculated cross-section values. The excitation function curves for the proton reactions with natural copper targets have been constructed from those for enriched targets using the natural abundance of the copper isotopes. Comparisons between the calculated excitation functions with those previously experimentally measured are given whenever the experimental values were available. Some statistical parameters were introduced to control the quality of the fitting between both the experimental and the theoretical calculated cross-section values. - Highlights: ► We performed reaction cross section calculations using ALICE-IPPE code. ► We constructed 14 excitation functions for nat Cu(p,xn)Zn,Cu,Ni,Co,Mn reactions. ► The available experimental data were fitted to the performed ALICE-IPPE calculations. ► Statistical parameters were introduced to control the quality of the fitting. ► The code failed to fit the experimental data for reactions with large nucleon emissions.

Parameters of importance to determine during geoscientific site investigation

Energy Technology Data Exchange (ETDEWEB)

Andersson, Johan [QuantiSci AB (Sweden); Almen, K.E. [KEA GEO-Konsult AB (Sweden); Ericsson, Lars O.; Karlsson, Fred; Stroem, A. [Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden); Fredriksson, Anders [ADG Grundteknik AB (Sweden); Stanfors, R. [Roy Stanfors Consulting AB (Sweden)

1998-06-01

This document identifies and describes geo-scientific parameters that are of importance in order to carry out performance and safety assessments of a deep repository for spent nuclear fuel, based on the information that can be obtained from a site investigation. The document also discusses data needs for planning and design of the rock works and for description of other environmental aspects. Evaluation of the different parameters is discussed in the document as well. The document was produced by a working group consisting of the authors and various SKB staff and consultants, and comprises a step in the planning of a geo-scientific investigation programme at the sites where site investigations will be conducted. The goals of the work presented in this report can be derived directly from SKBs ongoing RD and D Programme. The programme stipulates that a geo-scientific site investigation programme must be available before a site investigation begins. This programme is supposed to specify the goals, measurement methods and evaluation methodology, as well as the acceptance criteria against which the site is evaluated. It is pointed out that site evaluation is a collective term for an interactive process consisting of different parts 65 refs, 15 figs, 12 tabs

A hierarchical method for Bayesian inference of rate parameters from shock tube data: Application to the study of the reaction of hydroxyl with 2-methylfuran

KAUST Repository

Kim, Daesang

2017-06-22

We developed a novel two-step hierarchical method for the Bayesian inference of the rate parameters of a target reaction from time-resolved concentration measurements in shock tubes. The method was applied to the calibration of the parameters of the reaction of hydroxyl with 2-methylfuran, which is studied experimentally via absorption measurements of the OH radical\\'s concentration following shock-heating. In the first step of the approach, each shock tube experiment is treated independently to infer the posterior distribution of the rate constant and error hyper-parameter that best explains the OH signal. In the second step, these posterior distributions are sampled to calibrate the parameters appearing in the Arrhenius reaction model for the rate constant. Furthermore, the second step is modified and repeated in order to explore alternative rate constant models and to assess the effect of uncertainties in the reflected shock\\'s temperature. Comparisons of the estimates obtained via the proposed methodology against the common least squares approach are presented. The relative merits of the novel Bayesian framework are highlighted, especially with respect to the opportunity to utilize the posterior distributions of the parameters in future uncertainty quantification studies.

Analysis of charged particle induced reactions for beam monitor applications

Energy Technology Data Exchange (ETDEWEB)

Surendra Babu, K. [IOP, Academia Sinica, Taipe, Taiwan (China); Lee, Young-Ouk [Nuclear Data Evaluation Laboratory, Korea Atomic Energy Research Institute (Korea, Republic of); Mukherjee, S., E-mail: smukherjee_msuphy@yahoo.co.in [Department of Physics, Faculty of Science, M.S. University of Baroda, Vadodara 390 002 (India)

2012-07-15

The reaction cross sections for different residual nuclides produced in the charged particle (p, d, {sup 3}He and {alpha}) induced reactions were calculated and compared with the existing experimental data which are important for beam monitoring and medical diagnostic applications. A detailed literature compilation and comparison were made on the available data sets for the above reactions. These calculations were carried out using the statistical model code TALYS up to 100 MeV, which contains Kalbach's latest systematic for the emission of complex particles and complex particle-induced reactions. All optical model calculations were performed by ECIS-03, which is built into TALYS. The level density, optical model potential parameters were adjusted to get the better description of experimental data. Various pre-equilibrium models were used in the present calculations with default parameters.

Pneumophonic coordination impairments in parkinsonian dysarthria: importance of aerodynamic parameters measurements.

Science.gov (United States)

Moustapha, S M; Alain, G; Robert, E; Bernard, T; Mourtalla, Kâ M; Lamine, G; François, V

2012-01-01

Among Parkinsonian axial signs, dysarthria represents an important disabling symptom able to lead towards a significant reduction of oral communication. Several methods of dysarthria assessment have been used but aerodynamic evaluation is rare in the literature. To highlight the importance of aerodynamic parameters measurements in assessment of parkinsonian dysarthria. Using a dedicated system (EVA2), 24 parkinsonian patients were recorded after withdrawal of L-dopa for at least 12 h (condition called OFF DOPA) in order to evaluate intra-oral pressure (IOP), mean oral air flow (MOAF) and laryngeal resistance (LR) on six /p/ during realization of the sentence "Papa ne m'a pas parle' de beau-papa" ("Daddy did not speak to me about daddy-in-law") which corresponds to a breath group. 50 control subjects were recorded in parallel in order to define reference measurements. It appeared that there is in Parkinson's disease aerodynamic impairments which were evidenced by the fall in IOP and that of MOAF in patients compared with control subjects. The difference between the two groups was statistically significant. In addition a greater instability of LR in patients compared with control subjects was also noted. Our results show that measurements of aerodynamics parameters, by reflecting the dysfunction induced by disease, may well be relevant factors in parkinsonian dysarthria evaluation.

Pre-equilibrium assumptions and statistical model parameters effects on reaction cross-section calculations

International Nuclear Information System (INIS)

Avrigeanu, M.; Avrigeanu, V.

1992-02-01

A systematic study on effects of statistical model parameters and semi-classical pre-equilibrium emission models has been carried out for the (n,p) reactions on the 56 Fe and 60 Co target nuclei. The results obtained by using various assumptions within a given pre-equilibrium emission model differ among them more than the ones of different models used under similar conditions. The necessity of using realistic level density formulas is emphasized especially in connection with pre-equilibrium emission models (i.e. with the exciton state density expression), while a basic support could be found only by replacement of the Williams exciton state density formula with a realistic one. (author). 46 refs, 12 figs, 3 tabs

External Load Affects Ground Reaction Force Parameters Non-uniformly during Running in Weightlessness

Science.gov (United States)

DeWitt, John; Schaffner, Grant; Laughlin, Mitzi; Loehr, James; Hagan, R. Donald

2004-01-01

Long-term exposure to microgravity induces detrimefits to the musculcskdetal system (Schneider et al., 1995; LeBlanc et al., 2000). Treadmill exercise is used onboard the International Space Station as an exercise countermeasure to musculoskeletal deconditioning due to spaceflight. During locomotive exercise in weightlessness (0G), crewmembers wear a harness attached to an external loading mechanism (EL). The EL pulls the crewmember toward the treadmill, and provides resistive load during the impact and propulsive phases of gait. The resulting forces may be important in stimulating bone maintenance (Turner, 1998). The EL can be applied via a bungee and carabineer clip configuration attached to the harness and can be manipulated to create varying amounts of load levels during exercise. Ground-based research performed using a vertically mounted treadmill found that peak ground reaction forces (GRF) during running at an EL of less than one body weight (BW) are less than those that occur during running in normal gravity (1G) (Davis et al., 1996). However, it is not known how the GRF are affected by the EL in a true OG environment. Locomotion while suspended may result in biomechanics that differ from free running. The purpose of this investigation was to determine how EL affects peak impact force, peak propulsive force, loading rate, and impulse of the GRF during running in 0G. It was hypothesized that increasing EL would result in increases in each GRF parameter.

Fusion and direct reactions for strongly and weakly bound projectiles

International Nuclear Information System (INIS)

Hugi, M.; Lang, J.; Mueller, R.; Ungricht, E.; Bodek, K.; Jarczyk, L.; Kamys, B.; Magiera, A.; Strzalkowski, A.; Willim, G.

1981-01-01

The interaction of 6 Li, 9 Be and 12 C projectiles with a 28 Si target was investigated by measuring the angular distributions of the elasitcally scattered projectiles and of the emitted protons, deuterons and α-particles. The experiment was perfomred in order to deduce direct and compound nucleus process contributions to the total reaction cross section and to study the influence of the projectile structure on the relative importance of these two mechanisms. Optical model parameters and therefore the total reaction cross section are strongly influenced by the binding energy of the projectile. The parameters of the Glas-Mosel describing the fusion reaction vary smoothly with the atomic number. In the system 9 B + 28 Si around 50% of all reactions are direct processes even at energies near the Coulomb barrier, whereas in the other systeme the direct part amounts to 15% ( 12 C) and 30% ( 6 Li) only. (orig.)

Impact Parameter Dependence of the Double Neutron/Proton Ratio of Nucleon Emissions in Isotopic Reaction Systems

International Nuclear Information System (INIS)

Xun-Chao, Zhang; Gao-Chan, Yong; Bao-An, Li; Lie-Wen, Chen

2009-01-01

Within the transport model IBUU04, we investigate the double neutron/proton ratio of free nucleons taken from two reaction systems using two Sn isotopes at a beam energy of 50 MeV/nucleon and with impact parameters 2 fm, 4 fm and 8 fm, respectively. It is found that the double neutron/proton ratio from peripheral collisions is more sensitive to the density dependence of the symmetry energy than those from mid-central and central collisions. (nuclear physics)

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.

The Importance of Hematological Parameters in Acute Respiratory Viral Infections in Children

Directory of Open Access Journals (Sweden)

L. A. Alekseeva

2013-01-01

Full Text Available Hematological studies are basic and mandatory in diagnostics and laboratory monitoring of infectious diseases, which led to their inclusion in the modern standards of laboratory examinations of children. Assessment of hematological parameters used for the provisional differential diagnosis of viral or bacterial nature of the disease. For research currently being used increasingly Hematology analyzers, which allows to facilitate and standardize the results. In this paper a comparison and differences hematological parameters practically healthy children and children with respiratory infections. Identified some changes in indicators of haemogram depending on the etiology and character of the clinical course of the disease. On the basis of the leukocyte formula defined leukocyte indices of intoxication and illustrates their importance in assessing the severity of the infection process.

A hierarchical method for Bayesian inference of rate parameters from shock tube data: Application to the study of the reaction of hydroxyl with 2-methylfuran

KAUST Repository

Kim, Daesang; El Gharamti, Iman; Hantouche, Mireille; Elwardani, Ahmed Elsaid; Farooq, Aamir; Bisetti, Fabrizio; Knio, Omar

2017-01-01

We developed a novel two-step hierarchical method for the Bayesian inference of the rate parameters of a target reaction from time-resolved concentration measurements in shock tubes. The method was applied to the calibration of the parameters

Exchange reaction between hydrogen and deuterium. I. Importance of surface reactions in the steady-state mechanism

Energy Technology Data Exchange (ETDEWEB)

Marteau, C; Gaillard-Cusin, F; James, H [Centre National de la Recherche Scientifique, 45 - Orleans-la-Source (France). Centre de Recherches sur la Chimie de Combustion et des Hautes Temperatures

1978-05-01

Investigation of heterogeneous initiation process of gas phase linear chain reactions is carried out through the study of H/sub 2/-D/sub 2/ exchange reaction. Experimental data under study concern mainly the stationary rate of HD formation and the prestationary proceeding. Steady-state method accounts for the first one of these data; it allows to clearly compare the wall process part to the part played by the homogeneous chain reaction towards HD formation. Activation energy of exchange elementary step between chemisorbed hydrogen (on silica) and gaseous deuterium has been evaluated: Esub(e1)=52+-1 Kcal/mole.

Parameter estimation in IMEX-trigonometrically fitted methods for the numerical solution of reaction-diffusion problems

Science.gov (United States)

D'Ambrosio, Raffaele; Moccaldi, Martina; Paternoster, Beatrice

2018-05-01

In this paper, an adapted numerical scheme for reaction-diffusion problems generating periodic wavefronts is introduced. Adapted numerical methods for such evolutionary problems are specially tuned to follow prescribed qualitative behaviors of the solutions, making the numerical scheme more accurate and efficient as compared with traditional schemes already known in the literature. Adaptation through the so-called exponential fitting technique leads to methods whose coefficients depend on unknown parameters related to the dynamics and aimed to be numerically computed. Here we propose a strategy for a cheap and accurate estimation of such parameters, which consists essentially in minimizing the leading term of the local truncation error whose expression is provided in a rigorous accuracy analysis. In particular, the presented estimation technique has been applied to a numerical scheme based on combining an adapted finite difference discretization in space with an implicit-explicit time discretization. Numerical experiments confirming the effectiveness of the approach are also provided.

Time-varying parameter models for catchments with land use change: the importance of model structure

Science.gov (United States)

Pathiraja, Sahani; Anghileri, Daniela; Burlando, Paolo; Sharma, Ashish; Marshall, Lucy; Moradkhani, Hamid

2018-05-01

Rapid population and economic growth in Southeast Asia has been accompanied by extensive land use change with consequent impacts on catchment hydrology. Modeling methodologies capable of handling changing land use conditions are therefore becoming ever more important and are receiving increasing attention from hydrologists. A recently developed data-assimilation-based framework that allows model parameters to vary through time in response to signals of change in observations is considered for a medium-sized catchment (2880 km2) in northern Vietnam experiencing substantial but gradual land cover change. We investigate the efficacy of the method as well as the importance of the chosen model structure in ensuring the success of a time-varying parameter method. The method was used with two lumped daily conceptual models (HBV and HyMOD) that gave good-quality streamflow predictions during pre-change conditions. Although both time-varying parameter models gave improved streamflow predictions under changed conditions compared to the time-invariant parameter model, persistent biases for low flows were apparent in the HyMOD case. It was found that HyMOD was not suited to representing the modified baseflow conditions, resulting in extreme and unrealistic time-varying parameter estimates. This work shows that the chosen model can be critical for ensuring the time-varying parameter framework successfully models streamflow under changing land cover conditions. It can also be used to determine whether land cover changes (and not just meteorological factors) contribute to the observed hydrologic changes in retrospective studies where the lack of a paired control catchment precludes such an assessment.

Time-varying parameter models for catchments with land use change: the importance of model structure

Directory of Open Access Journals (Sweden)

S. Pathiraja

2018-05-01

Full Text Available Rapid population and economic growth in Southeast Asia has been accompanied by extensive land use change with consequent impacts on catchment hydrology. Modeling methodologies capable of handling changing land use conditions are therefore becoming ever more important and are receiving increasing attention from hydrologists. A recently developed data-assimilation-based framework that allows model parameters to vary through time in response to signals of change in observations is considered for a medium-sized catchment (2880 km2 in northern Vietnam experiencing substantial but gradual land cover change. We investigate the efficacy of the method as well as the importance of the chosen model structure in ensuring the success of a time-varying parameter method. The method was used with two lumped daily conceptual models (HBV and HyMOD that gave good-quality streamflow predictions during pre-change conditions. Although both time-varying parameter models gave improved streamflow predictions under changed conditions compared to the time-invariant parameter model, persistent biases for low flows were apparent in the HyMOD case. It was found that HyMOD was not suited to representing the modified baseflow conditions, resulting in extreme and unrealistic time-varying parameter estimates. This work shows that the chosen model can be critical for ensuring the time-varying parameter framework successfully models streamflow under changing land cover conditions. It can also be used to determine whether land cover changes (and not just meteorological factors contribute to the observed hydrologic changes in retrospective studies where the lack of a paired control catchment precludes such an assessment.

Characterizing multistationarity regimes in biochemical reaction networks.

Directory of Open Access Journals (Sweden)

Irene Otero-Muras

Full Text Available Switch like responses appear as common strategies in the regulation of cellular systems. Here we present a method to characterize bistable regimes in biochemical reaction networks that can be of use to both direct and reverse engineering of biological switches. In the design of a synthetic biological switch, it is important to study the capability for bistability of the underlying biochemical network structure. Chemical Reaction Network Theory (CRNT may help at this level to decide whether a given network has the capacity for multiple positive equilibria, based on their structural properties. However, in order to build a working switch, we also need to ensure that the bistability property is robust, by studying the conditions leading to the existence of two different steady states. In the reverse engineering of biological switches, knowledge collected about the bistable regimes of the underlying potential model structures can contribute at the model identification stage to a drastic reduction of the feasible region in the parameter space of search. In this work, we make use and extend previous results of the CRNT, aiming not only to discriminate whether a biochemical reaction network can exhibit multiple steady states, but also to determine the regions within the whole space of parameters capable of producing multistationarity. To that purpose we present and justify a condition on the parameters of biochemical networks for the appearance of multistationarity, and propose an efficient and reliable computational method to check its satisfaction through the parameter space.

Assessing parameter importance of the Common Land Model based on qualitative and quantitative sensitivity analysis

Directory of Open Access Journals (Sweden)

J. Li

2013-08-01

Full Text Available Proper specification of model parameters is critical to the performance of land surface models (LSMs. Due to high dimensionality and parameter interaction, estimating parameters of an LSM is a challenging task. Sensitivity analysis (SA is a tool that can screen out the most influential parameters on model outputs. In this study, we conducted parameter screening for six output fluxes for the Common Land Model: sensible heat, latent heat, upward longwave radiation, net radiation, soil temperature and soil moisture. A total of 40 adjustable parameters were considered. Five qualitative SA methods, including local, sum-of-trees, multivariate adaptive regression splines, delta test and Morris methods, were compared. The proper sampling design and sufficient sample size necessary to effectively screen out the sensitive parameters were examined. We found that there are 2–8 sensitive parameters, depending on the output type, and about 400 samples are adequate to reliably identify the most sensitive parameters. We also employed a revised Sobol' sensitivity method to quantify the importance of all parameters. The total effects of the parameters were used to assess the contribution of each parameter to the total variances of the model outputs. The results confirmed that global SA methods can generally identify the most sensitive parameters effectively, while local SA methods result in type I errors (i.e., sensitive parameters labeled as insensitive or type II errors (i.e., insensitive parameters labeled as sensitive. Finally, we evaluated and confirmed the screening results for their consistency with the physical interpretation of the model parameters.

Heavy ion reactions: an experimental vista

International Nuclear Information System (INIS)

Stokstad, R.G.

1977-01-01

Examples of recent experiments in the areas of fusion and deep-inelastic scattering are presented and discussed. Emphasis is placed on the importance of individual nucleons in the fusion process, the effects of high angular momentum, and the understanding of compound nuclear decay. Experiments on deep inelastic scattering are entering a new stage in which important parameters of the reaction mechanism are now open to investigation. Primarily through coincidence measurements, direct information on the angular momentum transferred in a collision and on the time scale of decay is being obtained

Investigation of the G and H parameters for the reaction. gamma. p. -->. n. pi. /sup +/ in the region of the first. pi. N resonance

Energy Technology Data Exchange (ETDEWEB)

Belyaev, A.A.; Get' man, V.A.; Gorbenko, V.G.; Guschin, V.A.; Derkach, A.Y.; Zhebrovskii, Y.V.; Karnaukhov, I.M.; Kolesnikov, L.Y.; Lukhanin, A.A.; Ovchinnik, V.D.; Omelaenko, A.S.; Rubashkin, A.L.; Sobol' , M.V.; Sorokin, P.V.; Sporov, E.A.; Storozhenko, Y.O.; Telegin, Y.N.

1984-07-01

The first experimental results are reported in a study of the G and H parameters for the reaction ..gamma..p..-->..n..pi../sup +/ in a double-polarization experiment carried out in a beam of linearly polarized photons with use of a polarized-proton target with polarization in the reaction plane. We describe a technique which permits determination in one measurement individually of the values of the G and H parameters. Investigations were carried out at photon energies 320, 350, and 380 MeV. The experimental results are compared with the predictions of the phenomenological multipole analyses of Metcalf and Walker and of Feller et al.

Hidden but important parameters in Ga{sub 0.5}In{sub 0.5}P cell growth

Energy Technology Data Exchange (ETDEWEB)

Kurtz, S.R.; Olson, J.M.; Bertness, K.A. [National Renewable Energy Lab., Golden, CO (United States)] [and others

1996-05-01

Despite their best intentions, authors often omit from publications many important technical details. These omissions can lead to contradictions in the literature and inhibit {open_quotes}researchers{close_quotes} abilities to duplicate published results. Here, the authors explore {open_quote}hidden{close_quote} parameters that are usually not reported, either because they are unknown (e.g., impurity levels) or because they are considered to be of little importance. Specifically the authors focus on the effects - and how to reduce the effects - of growth parameters in nearby layers (diffusion), impurities (oxygen), and the cooldown atmosphere (hydrogen passivation).

Sensitivity analysis of parameters important to nuclear criticality safety of Castor X/28F spent nuclear fuel cask

Energy Technology Data Exchange (ETDEWEB)

Leotlela, Mosebetsi J. [Witwatersrand Univ., Johannesburg (South Africa). School of Physics; Koeberg Operating Unit, Johannesburg (South Africa). Regulations and Licensing; Malgas, Isaac [Koeberg Nuclear Power Station, Duinefontein (South Africa). Nuclear Engineering Analysis; Taviv, Eugene [ASARA consultants (PTY) LTD, Johannesburg (South Africa)

2015-11-15

In nuclear criticality safety analysis it is essential to ascertain how various components of the nuclear system will perform under certain conditions they may be subjected to, particularly if the components of the system are likely to be affected by environmental factors such as temperature, radiation or material composition. It is therefore prudent that a sensitivity analysis is performed to determine and quantify the response of the output to variation in any of the input parameters. In a fissile system, the output parameter of importance is the k{sub eff}. Therefore, in attempting to prevent reactivity-induced accidents, it is important for the criticality safety analyst to have a quantified degree of response for the neutron multiplication factor to perturbation in a given input parameter. This article will present the results of the perturbation of the parameters that are important to nuclear criticality safety analysis and their respective correlation equations for deriving the sensitivity coefficients.

Effect of sol gel coating on wettability and interfacial reaction in Al-SiC MMC

DEFF Research Database (Denmark)

Liu, Y.L.; Breivik, T.R.; Kindl, B.

1995-01-01

The control of the interfacial reaction between the matrix and the SiC reinforcement in Al-SiC metal matrix composites (MMCs) is an important production parameter. The reaction causes degradation of the reinforcement, weakening of the interface and a decrease of the mechanical properties of the p...

Characterisation of hydrocarbonaceous overlayers important in metal-catalysed selective hydrogenation reactions

Energy Technology Data Exchange (ETDEWEB)

Lennon, David; Warringham, Robbie [School of Chemistry, Joseph Black Building, University of Glasgow, Glasgow G12 8QQ (United Kingdom); Guidi, Tatiana [ISIS Facility, STFC Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX (United Kingdom); Parker, Stewart F., E-mail: stewart.parker@stfc.ac.uk [ISIS Facility, STFC Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX (United Kingdom)

2013-12-12

Highlights: • Inelastic neutron scattering spectroscopy of a commercial dehydrogenation catalyst. • The overlayer present on the catalyst is predominantly aliphatic. • A population of strongly hydrogen bonded hydroxyls is also present. - Abstract: The hydrogenation of alkynes to alkenes over supported metal catalysts is an important industrial process and it has been shown that hydrocarbonaceous overlayers are important in controlling selectivity profiles of metal-catalysed hydrogenation reactions. As a model system, we have selected propyne hydrogenation over a commercial Pd(5%)/Al{sub 2}O{sub 3} catalyst. Inelastic neutron scattering studies show that the C–H stretching mode ranges from 2850 to 3063 cm{sup −1}, indicating the mostly aliphatic nature of the overlayer and this is supported by the quantification of the carbon and hydrogen on the surface. There is also a population of strongly hydrogen-bonded hydroxyls, their presence would indicate that the overlayer probably contains some oxygen functionality. There is little evidence for any olefinic or aromatic species. This is distinctly different from the hydrogen-poor overlayers that are deposited on Ni/Al{sub 2}O{sub 3} catalysts during methane reforming.

The Atmospherically Important Reaction of Hydroxyl Radicals with Methyl Nitrate: A Theoretical Study Involving the Calculation of Reaction Mechanisms, Enthalpies, Activation Energies, and Rate Coefficients.

Science.gov (United States)

Ng, Maggie; Mok, Daniel K W; Lee, Edmond P F; Dyke, John M

2017-09-07

A theoretical study, involving the calculation of reaction enthalpies, activation energies, mechanisms, and rate coefficients, was made of the reaction of hydroxyl radicals with methyl nitrate, an important process for methyl nitrate removal in the earth's atmosphere. Four reaction channels were considered: formation of H 2 O + CH 2 ONO 2 , CH 3 OOH + NO 2 , CH 3 OH + NO 3 , and CH 3 O + HNO 3 . For all channels, geometry optimization and frequency calculations were performed at the M06-2X/6-31+G** level, while relative energies were improved at the UCCSD(T*)-F12/CBS level. The major channel is found to be the H abstraction channel, to give the products H 2 O + CH 2 ONO 2 . The reaction enthalpy (ΔH 298 K RX ) of this channel is computed as -17.90 kcal mol -1 . Although the other reaction channels are also exothermic, their reaction barriers are high (>24 kcal mol -1 ), and therefore these reactions do not contribute to the overall rate coefficient in the temperature range considered (200-400 K). Pathways via three transition states were identified for the H abstraction channel. Rate coefficients were calculated for these pathways at various levels of variational transition state theory including tunneling. The results obtained are used to distinguish between two sets of experimental rate coefficients, measured in the temperature range of 200-400 K, one of which is approximately an order of magnitude greater than the other. This comparison, as well as the temperature dependence of the computed rate coefficients, shows that the lower experimental values are favored. The implications of the results to atmospheric chemistry are discussed.

Evaluation of the kinetic and thermodynamic parameters of oxidation reaction in biodiesel from a quaternary mixture of raw material

Directory of Open Access Journals (Sweden)

Karina Gomes Angilelli

2017-05-01

Full Text Available A mixture of vegetable oil and animal fat as raw materials was optimized by simplex-centroid mixture design to produce a type of biodiesel with good oxidative stability, flow properties and reaction yield. Further, kinetic and thermodynamic parameters of oxidation reaction were determined by the accelerated method at different temperatures. Biodiesel produced with sodium methoxide as catalyst presented 6.5°C of cloud point, 2.0°C of pour point, and oxidative stability at 110°C equal to 8.98h, with a reaction yield of 96.04%. Activation energy of the oxidation reaction was 81.03 kJ mol-1 for biodiesel produced with sodium hydroxide and 90.51 kJ mol-1 for sodium methoxide. The positive values for DH‡ and DG‡ indicate that the oxidation process is endothermic and endergonic. The less negative DS‡ for biodiesel produced with sodium methoxide (-28.87 JK-1 mol-1 showed that the process of degradation of this biofuel was slower than that produced with NaOH. The mixture of raw materials proposed, transesterified with the methoxide catalyst, resulted in a biofuel that resisted oxidation for longer periods, making unnecessary the addition of antioxidant

Importance of the support and the grade of Pt in the oxygen reduction reaction; Importancia del soporte y del grado del Pt en la reaccion de reduccion de oxigeno

Energy Technology Data Exchange (ETDEWEB)

Enriquez M, O.; Fernandez V, S.M. [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)

2004-07-01

The technology of the fuel cells type Proton Exchange Membrane (PEM), needs to define clearly the influence of the different involved parameters, this is made in general using methods of electrochemical impedance, in which the involved reactions can be presupposed. Another form of making is identifying experimentally the influence of the different parameters. In this work the obtained results are reported with for the oxygen reduction reaction using as electro catalyst platinum analytical grade and fuel cell grade and like support graphite and vulcan. It was found that as much the support as the particle size modify the over potential for the oxygen reduction reaction (Orr). (Author)

Importance of helical pitch parameter in LHD-type heliotron reactor designs

International Nuclear Information System (INIS)

Goto, T.; Suzuki, Y.; Yanagi, N.; Watanabe, K.Y.; Imagawa, S.; Sagara, A.

2010-11-01

In the design studies of the LHD-type heliotron reactors, one of the key issues is to secure sufficient blanket spaces. In this respect, helical pitch parameter γ is quite important because it significantly affects both the coil and plasma shapes. In order to understand the effect of helical pitch parameter on the design window quantitatively, a system design code for the LHD-type heliotron reactors has been developed and parametric scans were carried out with 3 cases of γ=1.15, 1.20 and 1.25. It becomes clear that the possible design window of heliotron reactors strongly depends on the engineering constraints: stored magnetic energy of coil system, blanket space, and neutron wall load. γ=1.20 is optimum from the viewpoint of moderating the physics requirements, but γ=1.15 has a robustness to the change in the physics and engineering conditions. Since the design windows are quite sensitive to the engineering constraints and physics conditions, the further detailed study on design feasibility of advanced engineering components and the effect of γ on the physics conditions is expected to optimize the value of γ. (author)

Important parameters in the performance of a potential repository at Yucca Mountain (TSPA-1995)

International Nuclear Information System (INIS)

Atkins, J.E.; Sevougian, S.D.; Lee, J.H.; Andrews, R.W.; McNeish, J.A.

1996-01-01

A total system performance assessment (TSPA) was conducted to determine how a potential repository at Yucca Mountain would behave. Using the results of this TSPA, regression was done to determine which parameters had the most important effect on the repository performance. These results were consistent with the current conceptual understanding of the repository

Child-rearing practices toward children with hemophilia: The relative importance of clinical characteristics and parental emotional reactions

NARCIS (Netherlands)

Banis, Hendrika; Suurmeijer, Th.P.B.M.; van Peer, D.R.

This study addresses the relative importance of clinical characteristics of the child and parental emotional reactions, to child-rearing practices towards children who suffer from hemophilia. The variables were assessed in a Dutch sample of 108 zero-to-twelve-year-old boys with hemophilia and their

Knock-out reactions

International Nuclear Information System (INIS)

de Forest, T. Jr.

1977-01-01

It is pointed out that the primary motivation for performing high energy single nucleon knock-out reactions is based on the concept of quasi-elastic scattering. The validity of and corrections to the partial wave impulse approximation and kinematical invariance of knock-out reactions and tests of the reaction mechanism are treated. The effect of distortions on the momentum distribution in the effective momentum approximation for given parameters are plotted. 12 references

Investigation of Na-CO2 Reaction with Initial Reaction in Various Reacting Surface

International Nuclear Information System (INIS)

Kim, Hyun Su; Park, Gunyeop; Kim, Soo Jae; Park, Hyun Sun; Kim, Moo Hwan; Wi, Myung-Hwan

2015-01-01

The reaction products that cause oxidation and erosion are threaten the heat transfer tubes so that it is necessary to investigate Na-CO 2 reaction according to various experimental parameter. Unlike SWR, Na-CO 2 reaction is more complex to deal with reaction kinetics. Since a comprehensive understanding of Na-CO 2 reaction mechanism is crucial for the safety analysis, the reaction phenomenon under the various conditions was investigated. The current issue is to make a database for developing computational code for CO 2 gas leak situation because it is experimentally difficult to analyze the actual accident situation. Most studies on Na-CO 2 interaction reports that chemical reaction is getting vigorous as temperature increased and reactivity is sensitive as temperature change between 400 .deg. C and 600 .deg. C. Therefore, temperature range is determined based on the operating condition (450 - 500 .deg. C) of KALIMER-600 employed as supercritical CO 2 brayton cycle energy conversion system for Na-CO 2 heat exchanger. And next parameter is sodium surface area which contact between sodium and CO 2 when CO 2 is injected into sodium pool in the accident situation. So, the fundamental surface reaction is experimentally studied in the range of 8 - 12cm 2 . Additionally, it has been reported in recent years that CO 2 Flow rate affects reactivity less significantly and CO 2 flow rate is assumed that 5 SLPM (standard liter per minute) is suitable as a basis for a small leakage. The finally selected control parameters is sodium temperature and reacting surface area with constant CO 2 flow rate. Na-CO 2 reaction test is performed for investigating risk of potential accident which contacts with liquid sodium and CO 2 . Amount of reaction is saturated as time passed because of kept a balance between production of solid phase reaction products and amount of diffusivity. These results contribute to make a database for the SFR safety analysis and additional experiments are needed

Global exponential stability of fuzzy cellular neural networks with delays and reaction-diffusion terms

International Nuclear Information System (INIS)

Wang Jian; Lu Junguo

2008-01-01

In this paper, we study the global exponential stability of fuzzy cellular neural networks with delays and reaction-diffusion terms. By constructing a suitable Lyapunov functional and utilizing some inequality techniques, we obtain a sufficient condition for the uniqueness and global exponential stability of the equilibrium solution for a class of fuzzy cellular neural networks with delays and reaction-diffusion terms. The result imposes constraint conditions on the network parameters independently of the delay parameter. The result is also easy to check and plays an important role in the design and application of globally exponentially stable fuzzy neural circuits

Gridded ionization chamber and dual parameter measurement system for fast neutron-induced charged particles emission reaction

International Nuclear Information System (INIS)

Chen Yingtang; Qi Huiquan; Chen Zemin

1995-01-01

A twin ionization chamber with a common cathode and grids is described for (n,α), (n,p) studies. The chamber is used to determine the energy spectra and angular distribution of the charged particles emitted from the sample positioned on the cathode by dual parameter measurements of coinciding pulses from the anode and cathode of the ionization chamber. Pu α source is used to test the property of the chamber, an isotropic angular distribution is basically showed and the energy resolution is about 2%. This ionization chamber has already been applied to the studies of the 40 Ca(n,α) and 64 Zn(n,α) reactions

Analytical applications of oscillatory chemical reactions: determination of some pharmaceuticaly and biologically important compounds

Directory of Open Access Journals (Sweden)

Pejić Nataša D.

2012-01-01

Full Text Available Novel analytical methods for quantitive determination of analytes based on perturbations of oscillatory chemical reactions realized under open reactor conditions (continuosly fed well stirred tank reactor, CSTR, have been developed in the past twenty years. The proposed kinetic methods are generally based on the ability of the analyzed substances to change the kinetics of the chemical reactions matrix. The unambiguous correlation of quantitative characteristics of perturbations, and the amount (concentration of analyte expressed as a regression equation, or its graphics (calibration curve, enable the determination of the unknown analyte concentration. Attention is given to the development of these methods because of their simple experimental procedures, broad range of linear regression ( 10-7 10-4 mol L-1 and low limits of detection of analytes ( 10-6 10-8 mol L1, in some cases even lower than 10-12 mol L-1. Therefore, their application is very convenient for routine analysis of various inorganic and organic compounds as well as gases. This review summarizes progress made in the past 5 years on quantitative determination of pharmaceutically and biologically important compounds.

Analytical definition of fission chain reaction parameters for cylindrical uranium bar and energy release evaluations for HIF hybrid targets

International Nuclear Information System (INIS)

Imshennik, V.S.

2006-01-01

Within the conditions of Heavy-Ion Fusion (HIF) arises a possibility to obtain the fission chain reaction for a cylindrical HIF target. The paper contains the solution interpolated with the diffusion approximation in order to receive the general approximation expressions for the bar critical radius as well as for over-critical state. The obtained critical parameters generalized for uranium envelope are used for rough evaluation of the energy release in HIF hybrid targets [ru

Ranking of input parameters importance for BWR stability based on Ringhals-1

International Nuclear Information System (INIS)

Gajev, Ivan; Kozlowski, Tomasz; Xu, Yunlin; Downar, Thomas

2011-01-01

Unstable behavior of Boiling Water Reactors (BWRs) is known to occur during operation at certain power and flow conditions. Uncertainty calculations for BWR stability, based on the Wilks' formula, have been already done for the Ringhals-1 benchmark. In this work, these calculations have been used to identify and rank the most important parameters affecting the stability of the Ringhals-1 plant. The ranking has been done in two different ways and a comparison of these two methods has been demonstrated. Results show that the methods provide different, but meaningful evaluations of the ranking. (author)

Nuclear reaction rates and the nova outburst

International Nuclear Information System (INIS)

Starrfield, S.G.; Iliadis, C.

2000-01-01

In this paper we examined the consequences of improving the nuclear reaction library on our simulations of TNRs on 1.25M, WD and 1.35M, WDS. We have found that the changes in the rates have affected the nucleosynthesis predictions of our calculations but not, to any great extent, the gross features. In addition, we have used a lower mass accretion rate than in our previous studies in order to accrete (and eject) more material. This has, as expected, caused the peak values of some important parameters to increase over our previous studies at the same WD mass. However, because some important reaction rates have declined in the new compilation this has not increased the abundances for nuclei above aluminum and, in fact, they have declined while the abundances of both 26 Al and 27 Al have increased at both WD masses. In contrast, the abundance of 22 Na has declined at both WD masses over the values predicted in our earlier work. This has important implications with respect to predictions of the observability of novae with INTEGRAL

On the importance of hydrogen bonding in the promotion of Diels-Alder reactions of unactivated aldehydes: a computational study

Science.gov (United States)

Chemouri, Hafida; Mekelleche, Sidi Mohamed

2014-03-01

The kinetic solvent effects on the Diels-Alder (DA) reaction of N,N-dimethylamino-3-trimethylsilyl butadiene with p-anisaldehyde are studied by density functional calculations at the B3LYP/6-31C(d) level of theory. Experimentally, it has been found that the acceleration of this reaction is not due to the increase of the polarity of the solvent but it is rather due to hydrogen bonding (HB). Intrinsic reaction coordinate calculations combined with electron localisation function analysis show that this reaction follows a one-step two-stage mechanism with a highly asynchronous sigma bond formation process. The calculations, performed using an explicit solvent model based on the coordination of the carbonyl group with one molecule of the solvent, show a considerable decrease of the activation energy when going from the gas phase (ɛ = 1) to solution phase and this diminution is found to be more important in isopropyl alcohol (ɛ = 18.3) in comparison with acetonitrile (ɛ = 37.5). Our calculations also show that the acceleration of this DA reaction is due to the increase of the electrophilicity power of the solvated carbonyl compound and consequently the increase of the polarity of the reaction in the presence of protic solvents. The obtained results put in evidence the relevance of HB in the promotion of DA reactions of unactivated ketones as experimentally expected.

Probabilistic sensitivity analysis of biochemical reaction systems.

Science.gov (United States)

Zhang, Hong-Xuan; Dempsey, William P; Goutsias, John

2009-09-07

Sensitivity analysis is an indispensable tool for studying the robustness and fragility properties of biochemical reaction systems as well as for designing optimal approaches for selective perturbation and intervention. Deterministic sensitivity analysis techniques, using derivatives of the system response, have been extensively used in the literature. However, these techniques suffer from several drawbacks, which must be carefully considered before using them in problems of systems biology. We develop here a probabilistic approach to sensitivity analysis of biochemical reaction systems. The proposed technique employs a biophysically derived model for parameter fluctuations and, by using a recently suggested variance-based approach to sensitivity analysis [Saltelli et al., Chem. Rev. (Washington, D.C.) 105, 2811 (2005)], it leads to a powerful sensitivity analysis methodology for biochemical reaction systems. The approach presented in this paper addresses many problems associated with derivative-based sensitivity analysis techniques. Most importantly, it produces thermodynamically consistent sensitivity analysis results, can easily accommodate appreciable parameter variations, and allows for systematic investigation of high-order interaction effects. By employing a computational model of the mitogen-activated protein kinase signaling cascade, we demonstrate that our approach is well suited for sensitivity analysis of biochemical reaction systems and can produce a wealth of information about the sensitivity properties of such systems. The price to be paid, however, is a substantial increase in computational complexity over derivative-based techniques, which must be effectively addressed in order to make the proposed approach to sensitivity analysis more practical.

Malonic acid concentration as a control parameter in the kinetic analysis of the Belousov-Zhabotinsky reaction under batch conditions.

Science.gov (United States)

Blagojević, Slavica M; Anić, Slobodan R; Cupić, Zeljko D; Pejić, Natasa D; Kolar-Anić, Ljiljana Z

2008-11-28

The influence of the initial malonic acid concentration [MA]0 (8.00 x 10(-3) sulfuric acid (1.00 mol dm(-3)) and cerium sulfate (2.50 x 10(-3) mol dm(-3)) on the dynamics and the kinetics of the Belousov-Zhabotinsky (BZ) reactions was examined under batch conditions at 30.0 degrees C. The kinetics of the BZ reaction was analyzed by the earlier proposed method convenient for the examinations of the oscillatory reactions. In the defined region of parameters where oscillograms with only large-amplitude relaxation oscillations appeared, the pseudo-first order of the overall malonic acid decomposition with a corresponding rate constant of 2.14 x 10(-2) min(-1) was established. The numerical results on the dynamics and kinetics of the BZ reaction, carried out by the known skeleton model including the Br2O species, were in good agreement with the experimental ones. The already found saddle node infinite period (SNIPER) bifurcation point in transition from a stable quasi-steady state to periodic orbits and vice versa is confirmed by both experimental and numerical investigations of the system under consideration. Namely, the large-amplitude relaxation oscillations with increasing periods between oscillations in approaching the bifurcation points at the beginning and the end of the oscillatory domain, together with excitability of the stable quasi-steady states in their vicinity are obtained.

Parameter Sensitivity Study of the Unreacted-Core Shrinking Model: A Computer Activity for Chemical Reaction Engineering Courses

Science.gov (United States)

Tudela, Ignacio; Bonete, Pedro; Fullana, Andres; Conesa, Juan Antonio

2011-01-01

The unreacted-core shrinking (UCS) model is employed to characterize fluid-particle reactions that are important in industry and research. An approach to understand the UCS model by numerical methods is presented, which helps the visualization of the influence of the variables that control the overall heterogeneous process. Use of this approach in…

Hydrogen evolution reaction on electrodes with different PT/C loadings by electrochemical impedance spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Ortega-Chavez, L. [Inst. Tecnologico de Chihuahua 2, Chihuahua, Chih (Mexico); Ortega-Chavez, L.; Herrera-Peraza, E. [Centro de Investigacion en Materiales Avanzados, Chiuahua, Chih (Mexico); Verde, Y. [Inst. Tecnologico de Cancun, Cancun, Quintana Roo (Mexico)

2008-04-15

One of the most widely studied reactions in electrochemistry is the hydrogen evolution reaction (HER). HER is important for the development of water hydrolysis and fuel cell technologies. Because hydrogen-substrate interaction determines oxygen reduction efficiency, an understanding of the chemical and electronic state of hydrogen adsorbed on the electrocatalyst surface is required. Electrochemical impedance spectroscopy (EIS) is a proven highly efficient technique for interface characterization and kinetic parameter determination for different reactions carried out on interfaces. This article presented a study that utilized EIS for characterizing electrodes under HER by implementing a rotating disc electrode with different carbon supported platinum nanoparticles loadings and different potentials in acidic solutions. The results collected by EIS were analyzed in terms of equivalent circuits to calculate different parameters which were compared by statistical analysis. The study also considered the Volmer, Heyrovsky and Tafel steps in the HER reaction as well as a single electro-absorbed intermediate species. The article discussed the experimental set-up with reference to measurements, simulation and fitting. Parameters analysis using ANOVA were reviewed. It was concluded that an increase in impedance occurs when platinum loading decreases in both high and low frequencies. 22 refs., 1 tab., 5 figs.

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)

Insights into solar photo-Fenton reaction parameters in the oxidation of a sanitary landfill leachate at lab-scale.

Science.gov (United States)

Silva, Tânia F C V; Ferreira, Rui; Soares, Petrick A; Manenti, Diego R; Fonseca, Amélia; Saraiva, Isabel; Boaventura, Rui A R; Vilar, Vítor J P

2015-12-01

This work evaluates the effect of the main photo-Fenton (PF) reaction variables on the treatment of a sanitary landfill leachate collected at the outlet of a leachate treatment plant, which includes aerated lagooning followed by aerated activated sludge and a final coagulation-flocculation step. The PF experiments were performed in a lab-scale compound parabolic collector (CPC) photoreactor using artificial solar radiation. The photocatalytic reaction rate was determined while varying the total dissolved iron concentration (20-100 mg Fe(2+)/L), solution pH (2.0-3.6), operating temperature (10-50 °C), type of acid used for acidification (H2SO4, HCl and H2SO4 + HCl) and UV irradiance (22-68 W/m(2)). This work also tries to elucidate the role of ferric hydroxides, ferric sulphate and ferric chloride species, by taking advantage of ferric speciation diagrams, in the efficiency of the PF reaction when applied to leachate oxidation. The molar fraction of the most photoactive ferric species, FeOH(2+), was linearly correlated with the PF pseudo-first order kinetic constants obtained at different solution pH and temperature values. Ferric ion speciation diagrams also showed that the presence of high amounts of chloride ions negatively affected the PF reaction, due to the decrease of ferric ions solubility and scavenging of hydroxyl radicals for chlorine radical formation. The increment of the PF reaction rates with temperature was mainly associated with the increase of the molar fraction of FeOH(2+). The optimal parameters for the photo-Fenton reaction were: pH = 2.8 (acidification agent: H2SO4); T = 30 °C; [Fe(2+)] = 60 mg/L and UV irradiance = 44 WUV/m(2), achieving 72% mineralization after 25 kJUV/L of accumulated UV energy and 149 mM of H2O2 consumed. Copyright © 2015 Elsevier Ltd. All rights reserved.

Study of astrophysically important resonant states in 26Si by the 28Si(4He,6He)26Si reaction

Science.gov (United States)

Kwon, Young Kwan; Lee, C. S.; Moon, J. Y.; Lee, J. H.; Kim, J. Y.; Kubono, S.; Iwasa, N.; Inafiki, K.; Yamaguchi, H.; He, J. J.; Saito, A.; Wakabayashi, Y.; Fukijawa, H.; Amadio, G.; Khiem, L. H.; Tanaka, M.; Chen, A.; Kato, S.

PoS(NIC-IX)024 , b, H. Yamaguchia, J. J. Hea , A. Saitoa , Y. Wakabayashia, H. Fujikawaa, G. The emission of 1.809 MeV gamma-ray from the first excited state of 26 Mg followed by beta- decay of 26 Al in its ground state (denoted as 26 Alg.s. ) has been identified by gamma-ray telescopes such the Compton Gamma-Ray Observatory (CGRO) [1]. To resolve controversy over the pos- sible sources of the observational 1.809 MeV gamma-rays, one needs accurate knowledge of the production rate of 26 Al. The 25 Al(p,γ)26Si reaction which is the competition reaction for produc- tion of 26 Alg.s. is one of the important subjects to be investigated. In this work, the astrophysically important 26 Si states above the proton threshold were studied via the 28 Si(4 He,6 He)26 Si reaction. We have preformed an angular distribution measurement using the high resolution QDD spectro- graph (PA) at Center for Nuclear Study (CNS), University of Tokyo. The experimental results and data analysis will be presented.

RT3D Reaction Modules for Natural and Enhanced Attenuation of Chloroethanes, Chloroethenes, Chloromethanes, and Daughter Products

Energy Technology Data Exchange (ETDEWEB)

Johnson, Christian D.; Truex, Michael J.

2006-07-25

This document describes a suite of MNA/EA reaction modules that were developed for addressing complex chlorinated solvent reactions using RT3D. As an introduction, an overview of these MNA/EA reaction modules is presented, including discussions of similarities between reaction modules, the purpose of key reaction parameters, and important considerations for using the reaction modules. Subsequent sections provide the details of the reaction kinetics (conceptual model and equations), data input requirements, and example (batch reactor) results for each reaction module. This document does not discuss reaction module implementation or validation; such information will accompany the software in the form of release notes or a supplement to the RT3D manual.

Spectator Ions ARE Important! A Kinetic Study of the Copper-Aluminum Displacement Reaction

Science.gov (United States)

Sobel, Sabrina G.; Cohen, Skyler

2010-01-01

Surprisingly, spectator ions are responsible for unexpected kinetics in the biphasic copper(II)-aluminum displacement reaction, with the rate of reaction dependent on the identity of the otherwise ignored spectator ions. Application of a published kinetic analysis developed for a reaction between a rotating Al disk and a Cu(II) ion solution to the…

Analysis of the importance for the doses of varying parameters in the BIOPATH-program

International Nuclear Information System (INIS)

Bergstroem, U.

1981-01-01

The doses to individuals and populations from water-borne nuclides leaked from a repository have been calculated earlier using the computer program BIOPATH. The turnover of nuclides in the biosphere is thereby simulated by the application of compartment theory. For the dominant nuclides in the disposal an analysis of the importance of varying parameters has been done, to decide how strongly uncertainties in data will affect resulting doses. The essential part has been the transfer coefficients but also the uptake in the food-chains has been studied. The purpose of the study has also been to make proposals for forthcoming efforts to improve the basis for such calculations. The study shows the great importance of the surface water-soil-groundwater-drinking water system for the dose. Thereby the most important question is the solubility of the nuclides in the different water reservoirs. (Auth.)

A survey of selected neutron-activation reactions with short-lived products of importance to fusion reactor technology

International Nuclear Information System (INIS)

Ward, R.C.; Gomes, I.C.; Smith, D.L.

1994-11-01

The status of the cross sections for production of short-lived radioactivities in the intense high-energy neutron fields associated with D-T fusion reactors is investigated. The main concerns relative to these very radioactive isotopes are with radiation damage to sensitive components such as superconducting magnets, the decay-heat problem and the safety of personnel during operation of the facility. The present report surveys the status of nuclear data required to assess these problems. The study is limited to a few high-priority nuclear reactions which appear to be of critical concern in this context. Other reactions of lesser concern are listed but are not treated in the present work. Among the factors that were considered in defining the relevant reactions and setting priorities are: quantities of the elemental materials in a fusion reactor, isotopic abundances within elemental categories, the decay properties of the induced radioactive byproducts, the reaction cross sections, and the nature of the decay radiations. Attention has been focused on radioactive species with half lives in the range from about 1 second to 15 minutes. Available cross-section and reaction-product decay information from the literature has been compiled and included in the report. Uncertainties have been estimated by examining several sets of experimental as well as evaluated data. Comments on the general status of data for various high-priority reactions are offered. On the basis of this investigation, it has been found that the nuclear data are in reasonably good shape for some of the most important reactions but are unacceptable for others. Based on this investigation, the reactions which should be given the greatest attention are: 16 O(n,p) 16 N, 55 Mn(n,p) 55 Cr, 57 Fe(n,p) 57 Mn, 186 W(n,2n) 185m W, and 207 Pb(n,n') 207m Pb. However, the development of fusion power would benefit from an across-the-board refinement in these nuclear data so that a more accurate quantitative

Influence of the reaction conditions on the enzyme catalyzed transesterification of castor oil

DEFF Research Database (Denmark)

Andrade, Thalles Allan; Errico, Massimiliano; Christensen, Knud Villy

2017-01-01

The identification of the influence of the reaction parameters is of paramount importance when defining a process design. In this work, non-edible castor oil was reacted with methanol to produce a possible component for biodiesel blends, using liquid enzymes as the catalyst. Temperature, alcohol......-to-oil molar ratio, enzyme and added water contents were the reaction parameters evaluated in the transesterification reactions. The optimal conditions, giving the optimal final FAME yield and FFA content in the methyl ester-phase was identified. At 35 °C, 6.0 methanol-to-oil molar ratio, 5 wt% of enzyme and 5...... wt% of water contents, 94 % of FAME yield and 6.1 % of FFA in the final composition were obtained. The investigation was completed with the analysis of the component profiles, showing that at least 8 hours are necessary to reach a satisfactory FAME yield together with a minor FFA content....

Simulation of square wave voltammetry of three electrode reactions coupled by two reversible chemical reactions

OpenAIRE

Lovrić, Milivoj

2017-01-01

Three fast and reversible electrode reactions that are connected by two reversible chemical reactions that are permanently in the equilibrium are analysed theoretically for square wave voltammetry. The dependence of peak potentials on the dimensionless equilibrium constants of chemical reactions is calculated. The influence of the basic thermodynamic parameters on the square wave voltammetric responses is analysed.

Multiresponse modelling of the caramelisation reaction

OpenAIRE

Quintas, Mafalda; Guimarães, Carla; Baylina, João; Brandão, Teresa R. S.; Silva, Cristina L.M.

2007-01-01

Multiresponse modelling is a powerful tool for studying complex kinetics of reactions occurring in food products. This modelling technique uses information of reactants and products involved, allowing insightful kinetic parameters estimation and helping in clarifying reaction mechanisms. One example of a complex reaction that occurs in food processing is the caramelisation reaction. Caramelisation is the common name for a group of reactions observed when carbohydrates are exposed to high temp...

Reducing uncertainty at minimal cost: a method to identify important input parameters and prioritize data collection

NARCIS (Netherlands)

Uwizeye, U.A.; Groen, E.A.; Gerber, P.J.; Schulte, Rogier P.O.; Boer, de I.J.M.

2016-01-01

The study aims to illustrate a method to identify important input parameters that explain most of the output variance ofenvironmental assessment models. The method is tested for the computation of life-cycle nitrogen (N) use efficiencyindicators among mixed dairy production systems in Rwanda. We

Driving Ability of HMX based Aluminized Explosive Affected by the Reaction Degree of Aluminum Powder

Science.gov (United States)

Duan, Yingliang

2017-06-01

Due to the time scale of aluminum reaction, the detonation process of the aluminized explosive becomes very complex, and there is less agreement on the reaction mechanism of aluminum powder. If the reaction of aluminum occurs in the reaction zone, the energy released will further strengthen the work ability of detonation wave. So it is very important for characterizing the detonation parameters and detonation driving ability to accurately understand the role of aluminum powder in the reaction zone. In this paper, detonation driving process of HMX based aluminized explosive was studied by cylinder test, obtaining the expansion track of cylinder wall. In order to further research the reaction degree (λ) of aluminum in the reaction zone, the thermodynamic program VHL was used to calculate the detonation process at different reaction degrees, obtaining the parameters of detonation products thermodynamic state. Using the dynamic software LS-DYNA and the JWL equation of state by fitting the pressure and relative volume relationship, the cylinder test was simulated. Compared with the experimental results, when the reaction degree is 20%, the driving ability is found to be in agreement with measured ones. It is concluded that the driving ability of HMX based aluminized explosive can be more accurately characterized by considering the reaction degree of aluminum powder in the reaction zone.

Detection of medically important Candida species by absolute quantitation real-time polymerase chain reaction.

Science.gov (United States)

Than, Leslie Thian Lung; Chong, Pei Pei; Ng, Kee Peng; Seow, Heng Fong

2015-01-01

The number of invasive candidiasis cases has risen especially with an increase in the number of immunosuppressed and immunocom promised patients. The early detection of Candida species which is specific and sensitive is important in determining the correct administration of antifungal drugs to patients. This study aims to develop a method for the detection, identification and quantitation of medically important Candida species through quantitative polymerase chain reaction (qPCR). The isocitrate lyase (ICL) gene which is not found in mammals was chosen as the target gene of real-time PCR. Absolute quantitation of the gene copy number was achieved by constructing the plasmid containing the ICL gene which is used to generate standard curve. Twenty fungal species, two bacterial species and human DNA were tested to check the specificity of the detection method. All eight Candida species were successfully detected, identified and quantitated based on the ICL gene. A seven-log range of the gene copy number and a minimum detection limit of 10(3) copies were achieved. A one-tube absolute quantification real-time PCR that differentiates medically important Candida species via individual unique melting temperature was achieved. Analytical sensitivity and specificity were not compromised.

Investigation of Na-CO{sub 2} Reaction with Initial Reaction in Various Reacting Surface

Energy Technology Data Exchange (ETDEWEB)

Kim, Hyun Su; Park, Gunyeop; Kim, Soo Jae; Park, Hyun Sun; Kim, Moo Hwan [POSTECH, Pohang (Korea, Republic of); Wi, Myung-Hwan [KAERI, Daejeon (Korea, Republic of)

2015-10-15

The reaction products that cause oxidation and erosion are threaten the heat transfer tubes so that it is necessary to investigate Na-CO{sub 2} reaction according to various experimental parameter. Unlike SWR, Na-CO{sub 2} reaction is more complex to deal with reaction kinetics. Since a comprehensive understanding of Na-CO{sub 2} reaction mechanism is crucial for the safety analysis, the reaction phenomenon under the various conditions was investigated. The current issue is to make a database for developing computational code for CO{sub 2} gas leak situation because it is experimentally difficult to analyze the actual accident situation. Most studies on Na-CO{sub 2} interaction reports that chemical reaction is getting vigorous as temperature increased and reactivity is sensitive as temperature change between 400 .deg. C and 600 .deg. C. Therefore, temperature range is determined based on the operating condition (450 - 500 .deg. C) of KALIMER-600 employed as supercritical CO{sub 2} brayton cycle energy conversion system for Na-CO{sub 2} heat exchanger. And next parameter is sodium surface area which contact between sodium and CO{sub 2} when CO{sub 2} is injected into sodium pool in the accident situation. So, the fundamental surface reaction is experimentally studied in the range of 8 - 12cm{sup 2}. Additionally, it has been reported in recent years that CO{sub 2} Flow rate affects reactivity less significantly and CO{sub 2} flow rate is assumed that 5 SLPM (standard liter per minute) is suitable as a basis for a small leakage. The finally selected control parameters is sodium temperature and reacting surface area with constant CO{sub 2} flow rate. Na-CO{sub 2} reaction test is performed for investigating risk of potential accident which contacts with liquid sodium and CO{sub 2}. Amount of reaction is saturated as time passed because of kept a balance between production of solid phase reaction products and amount of diffusivity. These results contribute to make a

TSOAK-M1: a computer code to determine tritium reaction/adsorption/release parameters from experimental results of air-detritiation tests

International Nuclear Information System (INIS)

Land, R.H.; Maroni, V.A.; Minkoff, M.

1979-01-01

A computer code has been developed which permits the determination of tritium reaction (T 2 to HTO)/adsorption/release and instrument correction parameters from enclosure (building) - detritiation test data. The code is based on a simplified model which treats each parameter as a normalized time-independent constant throughout the data-unfolding steps. Because of the complicated four-dimensional mathematical surface generated by the resulting differential equation system, occasional local-minima effects are observed, but these effects can be overcome in most instances by selecting a series of trial guesses for the initial parameter values and observing the reproducibility of final parameter values for cases where the best overall fit to experimental data is achieved. The code was then used to analyze existing small-cubicle test data with good success, and the resulting normalized parameters were employed to evaluate hypothetical reactor-building detritiation scenarios. It was concluded from the latter evaluation that the complications associated with moisture formation, adsorption, and release, particularly in terms of extended cleanup times, may not be as great as was previously thought. It is recommended that the validity of the TSOAK-M1 model be tested using data from detritiation tests conducted on large experimental enclosures (5 to 10 cm 3 ) and, if possible, actual facility buildings

Nonparametric variational optimization of reaction coordinates

Energy Technology Data Exchange (ETDEWEB)

Banushkina, Polina V.; Krivov, Sergei V., E-mail: s.krivov@leeds.ac.uk [Astbury Center for Structural Molecular Biology, Faculty of Biological Sciences, University of Leeds, Leeds LS2 9JT (United Kingdom)

2015-11-14

State of the art realistic simulations of complex atomic processes commonly produce trajectories of large size, making the development of automated analysis tools very important. A popular approach aimed at extracting dynamical information consists of projecting these trajectories into optimally selected reaction coordinates or collective variables. For equilibrium dynamics between any two boundary states, the committor function also known as the folding probability in protein folding studies is often considered as the optimal coordinate. To determine it, one selects a functional form with many parameters and trains it on the trajectories using various criteria. A major problem with such an approach is that a poor initial choice of the functional form may lead to sub-optimal results. Here, we describe an approach which allows one to optimize the reaction coordinate without selecting its functional form and thus avoiding this source of error.

Some parameters of uranium hexafluoride plasma produced by products of nuclear reaction

International Nuclear Information System (INIS)

Batyrbekov, G.A.; Belyakova, Eh.A.

1996-01-01

The probe experimental results of investigation of uranium hexafluoride plasma produced in the centre of nuclear reactor core were demonstrated. Study of uranium hexafluoride plasma is continued by the following reasons: a possibility of U F 6 utilization as nuclear fuel, the utilization of U F 6 as volume source o ionization, search of active laser media compatible with U F 6 that is complicated by lack of constant rates data for most of plasma-chemical reactions with U F 6 and his dissociation products. Cylindrical probe volt-ampere characteristics (VAC) measured in U F 6 plasma at pressure 20 Torr and different thermal neutron fluxes and have following features: -firstly, it is possible to choose a linear part in the field of small positive potentials of probe (0-1) V; - secondary, ion branches of VAC have typical break which current of satiation corresponds to; -thirdly, probe VAC measured at small values of thermal neutron flux density are symmetrical. Diagnostics approaches were used for interpretation VAC of probe. The values of satiation current and linear part of electron branch were calculated, and such plasma parameters as conductivity, diffusion coefficient values of positive and negative ions were determined. The resonance recharge cross section was estimated on diffusion coefficient value

BAYESIAN ESTIMATION OF THERMONUCLEAR REACTION RATES

Energy Technology Data Exchange (ETDEWEB)

Iliadis, C.; Anderson, K. S. [Department of Physics and Astronomy, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599-3255 (United States); Coc, A. [Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM), CNRS/IN2P3, Univ. Paris-Sud, Université Paris–Saclay, Bâtiment 104, F-91405 Orsay Campus (France); Timmes, F. X.; Starrfield, S., E-mail: iliadis@unc.edu [School of Earth and Space Exploration, Arizona State University, Tempe, AZ 85287-1504 (United States)

2016-11-01

The problem of estimating non-resonant astrophysical S -factors and thermonuclear reaction rates, based on measured nuclear cross sections, is of major interest for nuclear energy generation, neutrino physics, and element synthesis. Many different methods have been applied to this problem in the past, almost all of them based on traditional statistics. Bayesian methods, on the other hand, are now in widespread use in the physical sciences. In astronomy, for example, Bayesian statistics is applied to the observation of extrasolar planets, gravitational waves, and Type Ia supernovae. However, nuclear physics, in particular, has been slow to adopt Bayesian methods. We present astrophysical S -factors and reaction rates based on Bayesian statistics. We develop a framework that incorporates robust parameter estimation, systematic effects, and non-Gaussian uncertainties in a consistent manner. The method is applied to the reactions d(p, γ ){sup 3}He, {sup 3}He({sup 3}He,2p){sup 4}He, and {sup 3}He( α , γ ){sup 7}Be, important for deuterium burning, solar neutrinos, and Big Bang nucleosynthesis.

Optimization of reaction parameters of radiation induced grafting of 1-vinylimidazole onto poly(ethylene-co-tetraflouroethene) using response surface method

Energy Technology Data Exchange (ETDEWEB)

Nasef, Mohamed Mahmoud, E-mail: mahmoudeithar@fkkksa.utm.my [Institute of Hydrogen Economy, International Campus, Universiti Teknologi Malaysia, 54100 Kuala Lumpur (Malaysia); Aly, Amgad Ahmed; Saidi, Hamdani; Ahmad, Arshad [Institute of Hydrogen Economy, International Campus, Universiti Teknologi Malaysia, 54100 Kuala Lumpur (Malaysia)

2011-11-15

Radiation induced grafting of 1-vinylimidazole (1-VIm) onto poly(ethylene-co-tetraflouroethene) (ETFE) was investigated. The grafting parameters such as absorbed dose, monomer concentration, grafting time and temperature were optimized using response surface method (RSM). The Box-Behnken module available in the design expert software was used to investigate the effect of reaction conditions (independent parameters) varied in four levels on the degree of grafting (G%) (response parameter). The model yielded a polynomial equation that relates the linear, quadratic and interaction effects of the independent parameters to the response parameter. The analysis of variance (ANOVA) was used to evaluate the results of the model and detect the significant values for the independent parameters. The optimum parameters to achieve a maximum G% were found to be monomer concentration of 55 vol%, absorbed dose of 100 kGy, time in the range of 14-20 h and a temperature of 61 {sup o}C. Fourier transform infrared (FTIR), thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) were used to investigate the properties of the obtained films and provide evidence for grafting. - Highlights: > A precursor for phosphoric acid membrane for a high temperature PEM fuel cell was prepared. > The grafting parameters for radiation induced grafting of 1-VIm onto ETFE film were optimized. > Surface response method was used to predict the degree of grafting. > The predicted value agreed well with the experimental data as indicated by a 3% deviation. > The number of the experiments and cost of radiation induced grafting were reduced.

The Oklo natural nuclear reactors: neutron parameters, age and duration of the reactions, uranium and fission products migrations

International Nuclear Information System (INIS)

Ruffenach, J.-C.

1979-09-01

Mass spectrometry and isotopic dilution technique are used in order to carry out, on various samples from the fossil nuclear reactors at Oklo, Gabon, isotopic and chemical analyses of some particular elements involved in the nuclear reactions: uranium, lead, bismuth, thorium, rare gases (krypton, xenon), rare earths (neodymium, samarium, europium, gadolinium, dysprosium), ruthenium and palladium. Interpretations of these analyses lead to the determination of many neutron parameters such as the neutron fluence received by the samples, the spectrum index, the conversion coefficient, and also the percentages of fissions due to uranium-238 and plutonium-239 and the total number of fissions relative to uranium. All these results make it possible to determine the age of the nuclear reactions by measuring the amounts of fission rare earths formed, i.e. 1.97 billion years. This study brings some informations to the general problem of radioactive wastes storage in deep geological formations, the storage of uranium, plutonium and many fission products having been carried out naturally, and for about two billion years [fr

Morphological effects on the selectivity of intramolecular versus intermolecular catalytic reaction on Au nanoparticles.

Science.gov (United States)

Wang, Dan; Sun, Yuanmiao; Sun, Yinghui; Huang, Jing; Liang, Zhiqiang; Li, Shuzhou; Jiang, Lin

2017-06-14

It is hard for metal nanoparticle catalysts to control the selectivity of a catalytic reaction in a simple process. In this work, we obtain active Au nanoparticle catalysts with high selectivity for the hydrogenation reaction of aromatic nitro compounds, by simply employing spine-like Au nanoparticles. The density functional theory (DFT) calculations further elucidate that the morphological effect on thermal selectivity control is an internal key parameter to modulate the nitro hydrogenation process on the surface of Au spines. These results show that controlled morphological effects may play an important role in catalysis reactions of noble metal NPs with high selectivity.

Effect of important operating parameters on product properties and operation of HDPE slurry reactor

International Nuclear Information System (INIS)

Soltanieh, M.; Remezani Saadat Abadi, A.; Dashti, A.; Mokhtari, J.

2007-01-01

In this article, a complete model for the mixed flow slurry reactor for polymerization of ethylene to high density polyethylene in the presence of Ziegler-Natta catalyst is presented. In addition to the effects of the multiple active sites, the effect of other important parameters such as the catalyst concentration, co-catalyst, hydrogen, monomer, impurities and pressure on the mass-average and number-average polymer product chain length, the average product distribution index and the required residence time for the reactor were investigated. The simulation results show that as the catalyst, hydrogen and solvent concentrations increase, the mass and number-average polymer chain length decrease, whereas with increasing monomer concentration and pressure, the average molecular weight increases. The effects of these parameters on the polydispersity index and residence time do not follow the same trend and their relationship changes in some of these variables

The Importance of IgG Avidity and the Polymerase Chain Reaction in Treating Toxoplasmosis during Pregnancy: Current Knowledge

Directory of Open Access Journals (Sweden)

João Bortoletti Filho

2013-01-01

Full Text Available A brief report on the nature and epidemiology of T. gondii infection is firstly presented. The importance of the specific IgG avidity test and polymerase chain reaction (PCR for toxoplasmosis is discussed, along with their significance and importance as auxiliary methods for determining the most likely time for the initial infection by this coccidian and for defining the therapeutic strategy. Lastly, practical comments are made in relation to the classical therapeutic regimens, with special attention to the indications for fetal treatment, when this is necessary.

Parameters of importance to determine in geoscientific site studies

International Nuclear Information System (INIS)

Andersson, Johan; Almen, K.E.; Ericsson, L.O.; Karlsson, Fred; Stroem, A.; Fredriksson, Anders; Stanfors, R.

1996-12-01

This report identifies and describes parameters, that may be determined in a site characterization study, for performing functional and safety analyses of a deep rock repository for radioactive wastes. The report discusses data needs for rock engineering and for description of other environmental aspects. It is intended that the report be used as a basis for formulating the criteria of acceptance in evaluating a candidate site. The report describes how different parameters influence the safety function, and how they are evaluated in practice. The logical order of performing measurements, due to the need of in-data and influence on other measurements is also discussed. 65 refs

REACTION OF THE FEMALE BODY TO STRESS IN A CHEMICAL PROTECTIVE CLOTHING

Directory of Open Access Journals (Sweden)

Jiří SLABOTINSKÝ

2016-12-01

Full Text Available This article deals with the reaction of the female body to the use of an insulation chemical protective clothing combined with working – thermal and mental stress to which the female is exposed. The article provides a concise overview of protective chemical clothings and factors affecting their comfort; it describes the regularities corresponding to the physiological reaction, important for the body’s reaction to the use of a chemical protective clothing. Further, the article contains a description of the measurement and evaluation of physiological parameters of non-acclimated women during testing of these clothings and, finally, comparison with the results for males under the same stress which is unfavourable for women.

Reaction of the H atom in gamma-irradiated ferrous sulphate solutions

International Nuclear Information System (INIS)

Mathews, R.W.

1977-10-01

The effect of sulphuric acid, ferrous and ferric ion, and oxygen concentrations on G(Fe 3+ ) values from cobalt-60 gamma-irradiated soltuions has been studied. Kinetic expressions were derived for reaction models involving reactions of various forms of the H atom and additional reactions postulated to be of importance at high solute concentration. Three models were assumed invoking the additional reactions: (1) an independent yield of an excited water species; (2) increasing contributions from interspur reactions of well established species at increasing solute concentration; (3) inhibition of charge pair recombination by acid and scavenger species. The calculated G(Fe 3+ ) values from the various models were compared by the least squares method with experimental G(Fe 3+ ) values from over 600 irradiations. Model 3 provided the best fit to the data for the least number of adjustable parameters. No evidence for more than one form of H atom was found with this model. (J.R.)

Pressure effects on electron reactions and mobility in nonpolar liquids

International Nuclear Information System (INIS)

Holroyd, R.A.; Nishikawa, Masaru

2002-01-01

High pressure studies have elucidated the mechanisms of both electron reactions and electron transport in nonpolar liquids and provided information about the partial molar volumes of ions and electrons. The very large volume changes associated with electron attachment reactions have been explained as due to electrostriction by the ions, calculated with a continuum model, but modified to include the formation of a glassy shell of solvent molecules around the ion. The mobilities of electrons in cases where the electron is trapped can now be understood by comparing the trap cavity volume with the volume of electrostriction of the solvent around the cavity. In cases where the electron is quasi-free the compressibility dependent potential fluctuations are shown to be important. The isothermal compressibility is concluded to be the single most important parameter determining the behavior of excess electrons in liquids

Studies of heavy-ion reactions and transuranic nuclei

International Nuclear Information System (INIS)

Schroeder, W.U.; Huizenga, J.R.

1991-08-01

The development of the ''cold-fusion'' episode is reviewed. Ongoing studies of compound-nucleus formation and decay via the neutron multiplicity distribution confirm the validity of conventional statistical theory. The excitation energy partition in near-barrier damped 58 Ni + 208 Pb collisions is found to be largely independent of the direction of net mass transfer, supporting a diffusion-like nucleon-exchange mechanism. Exclusive experiments on the heavy reaction systems 197 Au + 208 Pb and 209 Bi + 136 Xe in the Fermi-energy domain have revealed important new insights into the reaction mechanism, which is found to be dominated by damped, binary processes. The effectiveness of the neutron multiplicity as an impact-parameter filter is demonstrated. It is shown that very-heavy-ion reactions lead to transient nuclear systems with temperatures in excess of τ = 6 MeV and transfer of large, aligned spins to reaction fragments. The first measurements of neutrons in coincidence with kinematically identified reaction fragments provide evidence for the binary, sequential character of dissipative collisions in the Fermi-energy domain. Also for the first time, a full event characterization was achieved for nuclear reactions in terms of neutrons and charged particles. Technical information on this experiment is provided. First results yield strong evidence for dominantly binary primary reaction dynamics of even highly dissipative 209 Bi + (28MeV/u) 136 Xe collisions, associated with several intermediate-mass fragments

Copper corrosion in bentonite: Studying of parameters (pH, Eh/O2) of importance for Cu corrosion

International Nuclear Information System (INIS)

Carlsson, T.; Muurinen, A.

2007-06-01

The report describes the development of methods and equipment for studying the parameters (pH, Eh/O 2 ) of importance for copper corrosion. The work involved the fabrication of electrodes for determining Eh and pH in compacted water-saturated bentonite. MX-80 and the Indian Asha 505 bentonites were used in the study. The redox-measurements were carried out by using electrodes prepared of Au and Pt wires. The pH measurements were carried out by using solid IrO x electrodes. The report describes testing of electrodes in different solutions and in bentonite. A destructive method for determining oxygen content in compacted bentonite was tested, too. The electrodes were used in measurements inside compacted bentonite with about the same density as is intended to be used in the Finnish repository for spent nuclear fuel. The results indicate that Au and Pt redox-electrodes and IrO x pH electrodes function in compacted bentonite. The oxygen measurement in bentonite seems to work, too, and can complement the Eh measurements. Eh-values in originally aerobic bentonite samples having a dry densitiy of ≤1.5 g/cm 3 , exhibit mostly a decrease during the first days, which may mainly be ascribed to the depletion of oxygen. The Eh-decrease thereafter is probably associated with redox-reactions involving other species than oxygen. In samples with a dry density of 1.8 g/cm 3 , the observed Eh-decrease is mostly slower. No significant difference between the Eh and pH measurements in MX-80 and Asha 505 could be observed. (orig.)

Reactions of green and black teas with Cu(II).

Science.gov (United States)

Goodman, B A; Ferreira Severino, J; Pirker, K F

2012-04-01

Electron paramagnetic resonance (EPR) measurements of the products of reactions between Cu(II) and samples of green and black teas showed spectral components from at least six different Cu(II) complexes with both tea types. Several of these complexes were common to both teas in spite of major differences in their polyphenol compositions. The pH range observed for complex formation, and the total signal intensity in the pH range 4-8, were greatly different from those for the reactions of Cu(II) with (-)-epigallocatechin gallate and gallic acid, the main polyphenols responsible for the free radical signals observed during oxidation of these beverages. Components with spectral parameters similar to those of Cu(II) complexes with theanine, the major amino acid in tea, may contribute to two of the spectra recorded under acidic conditions. However, the initial complexes formed at the lowest pH values investigated are still unidentified. EPR spectra with parameters consistent with Cu(II) polyphenol complexes were only observed under alkaline conditions, thus suggesting that components of tea other than polyphenols might be more important in reactions with copper, and possibly other transition metals, in solutions under physiological conditions. This journal is © The Royal Society of Chemistry 2012

Thermonuclear reaction rates. III

International Nuclear Information System (INIS)

Harris, M.J.; Fowler, W.A.; Caughlan, G.R.; Zimmerman, B.A.

1983-01-01

Stellar thermonuclear reaction rates are revised and updated, adding a number of new important reaction rates. Several reactions with large negative Q-values are included, and examples of them are discussed. The importance of the decay rates for Mg-26(p,n) exp 26 Al and Al-26(n,p) exp 26 Mg for stellar studies is emphasized. 19 references

Neutrino-induced charged-current reaction rates for r-process nuclei

CERN Document Server

Langanke, K

2001-01-01

Neutrino-induced reactions play an important role during and after the r-process if it occurs in an environment with extreme neutrino fluxes, as in the neutrino-driven wind model or neutron star mergers. The neutrino reactions can excite the daughter nucleus above the neutron threshold, which is quite low for r-process nuclei. Thus the daughter nucleus will decay by emission of one or several neutrons. We have calculated the relevant total (nu sub e , e sup -) cross sections as well as the partial neutron spallation cross sections for r-process nuclei with neutron numbers N=41-135 and proton numbers Z=21-82. The supernova neutrino spectrum is described by a Fermi-Dirac distribution with various temperature parameters between T=2.8 MeV and T=10 MeV and with the degeneracy parameters alpha=0 and alpha=3. Our calculations of the nuclear response are based on the random phase approximation and consider allowed as well as forbidden transitions.

Improvements and important considerations for the 5-choice serial reaction time task-An effective measurement of visual attention in rats.

Science.gov (United States)

Bhandari, Jayant; Daya, Ritesh; Mishra, Ram K

2016-09-01

The 5-choice serial reaction time task (5-CSRTT) is an automated operant conditioning task that measures rodent attention. The task allows the measurement of several parameters such as response accuracy, speed of processing, motivation, and impulsivity. The task has been widely used to investigate attentional processes in rodents for attention deficit and hyperactivity disorder and has expanded to other illnesses such as Alzheimer's disease, depression, and schizophrenia. The 5-CSRTT is accompanied with two significant caveats: a time intensive training period and largely varied individual rat capability to learn and perform the task. Here we provide a regimented acquisition protocol to enhance training for the 5-CSRTT and discuss important considerations for researchers using the 5-CSRTT. We offer guidelines to ensure that inferences on performance in the 5-CSRTT are in fact a result of experimental manipulation rather than training differences, or individual animal capability. According to our findings only rats that have been trained successfully within a limited time frame should be used for the remainder of the study. Currently the 5-CSRTT employs a training period of variable duration and procedure, and its inferences on attention must overcome heterogeneous innate animal differences. The 5-CSRTT offers valuable and valid insights on various rodent attentional processes and their translation to the underpinnings of illnesses such as schizophrenia. The recommendations made here provide important criteria to ensure inferences made from this task are in fact relevant to the attentional processes being measured. Copyright © 2016 Elsevier B.V. All rights reserved.

Important operational parameters of membrane bioreactor-sludge disintegration (MBR-SD) system for zero excess sludge production.

Science.gov (United States)

Yoon, Seong-Hoon

2003-04-01

In order to prevent excess sludge production during wastewater treatment, a membrane bioreactor-sludge disintegration (MBR-SD) system has been introduced, where the disintegrated sludge is recycled to the bioreactor as a feed solution. In this study, a mathematical model was developed by incorporating a sludge disintegration term into the conventional activated sludge model and the relationships among the operational parameters were investigated. A new definition of F/M ratio for the MBR-SD system was suggested to evaluate the actual organic loading rate. The actual F/M ratio was expected to be much higher than the apparent F/M ratio in MBR-SD. The kinetic parameters concerning the biodegradability of organics hardly affect the system performance. Instead, sludge solubilization ratio (alpha) in the SD process and particulate hydrolysis rate constant (k(h)) in biological reaction determine the sludge disintegration number (SDN), which is related with the overall economics of the MBR-SD system. Under reasonable alpha and k(h) values, SDN would range between 3 and 5 which means the amount of sludge required to be disintegrated would be 3-5 times higher for preventing a particular amount of sludge production. Finally, normalized sludge disintegration rate (q/V) which is needed to maintain a certain level of MLSS in the MBR-SD system was calculated as a function of F/V ratio.

Hydrothermal carbonization. Investigation of process parameters

Energy Technology Data Exchange (ETDEWEB)

Steinbrueck, J.; Rossbach, M.; Reichert, D.; Bockhorn, H. [Karlsruher Institut fuer Technologie (KIT), Karlsruhe (Germany). Inst. of Technical Chemistry and Polymerchemistry; Walz, L. [Energie Baden-Wuerttemberg AG, Karlsruhe (Germany); Eyler, D. [European Institute for Energy Research, Karlsruhe (Germany)

2010-07-01

For energetic use and as a raw material lignocellulosic biomass becomes more and more important. Among pyrolytic refining, the hydrothermal treatment can be an alternative way to deoxygenerate biomass. The objective of this study is to gain deeper insights into the Hydrothermal Carbonization (HTC) process and also to define basic parameters for the construction of a small pilot plant. The biomass is converted in an autoclave at temperatures between 180 C and 240 C establishing the respective vapour pressure. Reaction times between 1 and 12 hours are applied and various catalysts in different concentrations are tested. Elemental analysis of the product, a brown coal-like solid, shows a composition of ca. C{sub 4}H{sub 3}O{sub 1}, corresponding to a carbon recovery of 60% of initial carbon mass. The elemental composition of the product is independent of the process temperature and the applied biomass, if a minimal reaction time is adhered, which however heavily depends on the reaction temperature. The remaining carbon species in intermediate reaction products in the liquid and gas phase are characterised by use of GC/MS, HPLC and FTIR. From the experimental data a two-way mechanism is deduced that includes a rapid formation of an initial solid and dehydration and decomposition reactions which lead to smaller organic molecules, e.g. furfural and aromatic species, and can be promoted by acid catalysis, e.g. H{sub 2}SO{sub 4}. (orig.)

Numerical analysis for Darcy-Forchheimer flow in presence of homogeneous-heterogeneous reactions

Directory of Open Access Journals (Sweden)

Muhammad Ijaz Khan

Full Text Available A mathematical study is presented to investigate the influences of homogeneous and heterogeneous reactions in local similar flow caused by stretching sheet with a non-linear velocity and variable thickness. Porous medium effects are characterized by using Darcy-Forchheimer porous-media. A simple isothermal model of homogeneous-heterogeneous reactions is used. The multiphysical boundary value problem is dictated by ten thermophysical parameters: ratio of mass diffusion coefficients, Prandtl number, local inertia coefficient parameter, inverse Darcy number, shape parameter, surface thickness parameter, Hartman number, Homogeneous heat reaction, strength of homogeneous-heterogeneous reactions and Schmidt number. Resulting systems are computed by Runge-Kutta-Fehlberg method. Different shapes of velocity are noticed for n > 1 and n < 1. Keywords: Homogeneous-heterogeneous reactions, Non Darcy porous medium, Variable sheet thickness, Homogeneous heat reaction with stoichiometric coefficient, Runge-Kutta-Fehlberg method

Nuclear level density parameter 's dependence on angular momentum

International Nuclear Information System (INIS)

Aggarwal, Mamta; Kailas, S.

2009-01-01

Nuclear level densities represent a very important ingredient in the statistical Model calculations of nuclear reaction cross sections and help to understand the microscopic features of the excited nuclei. Most of the earlier experimental nuclear level density measurements are confined to low excitation energy and low spin region. A recent experimental investigation of nuclear level densities in high excitation energy and angular momentum domain with some interesting results on inverse level density parameter's dependence on angular momentum in the region around Z=50 has motivated us to study and analyse these experimental results in a microscopic theoretical framework. In the experiment, heavy ion fusion reactions are used to populate the excited and rotating nuclei and measured the α particle evaporation spectra in coincidence with ray multiplicity. Residual nuclei are in the range of Z R 48-55 with excitation energy range 30 to 40 MeV and angular momentum in 10 to 25. The inverse level density parameter K is found to be in the range of 9.0 - 10.5 with some exceptions

A flow reactor setup for photochemistry of biphasic gas/liquid reactions

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Josef Schachtner

2016-08-01

Full Text Available A home-built microreactor system for light-mediated biphasic gas/liquid reactions was assembled from simple commercial components. This paper describes in full detail the nature and function of the required building elements, the assembly of parts, and the tuning and interdependencies of the most important reactor and reaction parameters. Unlike many commercial thin-film and microchannel reactors, the described set-up operates residence times of up to 30 min which cover the typical rates of many organic reactions. The tubular microreactor was successfully applied to the photooxygenation of hydrocarbons (Schenck ene reaction. Major emphasis was laid on the realization of a constant and highly reproducible gas/liquid slug flow and the effective illumination by an appropriate light source. The optimized set of conditions enabled the shortening of reaction times by more than 99% with equal chemoselectivities. The modular home-made flow reactor can serve as a prototype model for the continuous operation of various other reactions at light/liquid/gas interfaces in student, research, and industrial laboratories.

Predicting CYP2C19 Catalytic Parameters for Enantioselective Oxidations Using Artificial Neural Networks and a Chirality Code

Science.gov (United States)

Hartman, Jessica H.; Cothren, Steven D.; Park, Sun-Ha; Yun, Chul-Ho; Darsey, Jerry A.; Miller, Grover P.

2013-01-01

Cytochromes P450 (CYP for isoforms) play a central role in biological processes especially metabolism of chiral molecules; thus, development of computational methods to predict parameters for chiral reactions is important for advancing this field. In this study, we identified the most optimal artificial neural networks using conformation-independent chirality codes to predict CYP2C19 catalytic parameters for enantioselective reactions. Optimization of the neural networks required identifying the most suitable representation of structure among a diverse array of training substrates, normalizing distribution of the corresponding catalytic parameters (kcat, Km, and kcat/Km), and determining the best topology for networks to make predictions. Among different structural descriptors, the use of partial atomic charges according to the CHelpG scheme and inclusion of hydrogens yielded the most optimal artificial neural networks. Their training also required resolution of poorly distributed output catalytic parameters using a Box-Cox transformation. End point leave-one-out cross correlations of the best neural networks revealed that predictions for individual catalytic parameters (kcat and Km) were more consistent with experimental values than those for catalytic efficiency (kcat/Km). Lastly, neural networks predicted correctly enantioselectivity and comparable catalytic parameters measured in this study for previously uncharacterized CYP2C19 substrates, R- and S-propranolol. Taken together, these seminal computational studies for CYP2C19 are the first to predict all catalytic parameters for enantioselective reactions using artificial neural networks and thus provide a foundation for expanding the prediction of cytochrome P450 reactions to chiral drugs, pollutants, and other biologically active compounds. PMID:23673224

Nanolithographic Fabrication and Heterogeneous Reaction Studies ofTwo-Dimensional Platinum Model Catalyst Systems

Energy Technology Data Exchange (ETDEWEB)

Contreras, Anthony Marshall [Univ. of California, Berkeley, CA (United States)

2006-05-20

In order to better understand the fundamental components that govern catalytic activity, two-dimensional model platinum nanocatalyst arrays have been designed and fabricated. These catalysts arrays are meant to model the interplay of the metal and support important to industrial heterogeneous catalytic reactions. Photolithography and sub-lithographic techniques such as electron beam lithography, size reduction lithography and nanoimprint lithography have been employed to create these platinum nanoarrays. Both in-situ and ex-situ surface science techniques and catalytic reaction measurements were used to correlate the structural parameters of the system to catalytic activity.

Effects of neutron spectrum and external neutron source on neutron multiplication parameters in accelerator-driven system

International Nuclear Information System (INIS)

Shahbunder, Hesham; Pyeon, Cheol Ho; Misawa, Tsuyoshi; Lim, Jae-Yong; Shiroya, Seiji

2010-01-01

The neutron multiplication parameters: neutron multiplication M, subcritical multiplication factor k s , external source efficiency φ*, play an important role for numerical assessment and reactor power evaluation of an accelerator-driven system (ADS). Those parameters can be evaluated by using the measured reaction rate distribution in the subcritical system. In this study, the experimental verification of this methodology is performed in various ADS cores; with high-energy (100 MeV) proton-tungsten source in hard and soft neutron spectra cores and 14 MeV D-T neutron source in soft spectrum core. The comparison between measured and calculated multiplication parameters reveals a maximum relative difference in the range of 6.6-13.7% that is attributed to the calculation nuclear libraries uncertainty and accuracy for energies higher than 20 MeV and also dependent on the reaction rate distribution position and count rates. The effects of different core neutron spectra and external neutron sources on the neutron multiplication parameters are discussed.

Estimation of apparent kinetic parameters of polymer pyrolysis with complex thermal degradation behavior

International Nuclear Information System (INIS)

Srimachai, Taranee; Anantawaraskul, Siripon

2010-01-01

Full text: Thermal degradation behavior during polymer pyrolysis can typically be described using three apparent kinetic parameters (i.e., pre-exponential factor, activation energy, and reaction order). Several efficient techniques have been developed to estimate these apparent kinetic parameters for simple thermal degradation behavior (i.e., single apparent pyrolysis reaction). Unfortunately, these techniques cannot be directly extended to the case of polymer pyrolysis with complex thermal degradation behavior (i.e., multiple concurrent reactions forming single or multiple DTG peaks). In this work, we proposed a deconvolution method to determine the number of apparent reactions and estimate three apparent kinetic parameters and contribution of each reaction for polymer pyrolysis with complex thermal degradation behavior. The proposed technique was validated with the model and experimental pyrolysis data of several polymer blends with known compositions. The results showed that (1) the number of reaction and (2) three apparent kinetic parameters and contribution of each reaction can be estimated reasonably. The simulated DTG curves with estimated parameters also agree well with experimental DTG curves. (author)

Vitamin C attenuates negative effects of vitrification on sperm parameters, chromatin quality, apoptosis and acrosome reaction in neat and prepared normozoospermic samples

Directory of Open Access Journals (Sweden)

Esmat Mangoli

2018-04-01

Full Text Available Objective: Aim of this study was to evaluate the effects of vitamin C on sperm parameters, sperm chromatin quality and apoptosis resulted of vitrification in neat semen and prepared spermatozoa of normozoospermic samples. Material and methods: Forty semen samples from normozoospermic men were included in this prospective study. Each sample was divided into five groups. Group I: control or fresh semen, group II: semen prepared by swim-up method and then vitrified, group III: neat semen was vitrified, group IV: vitamin C (600 μM was added to prepared spermatozoa and then vitrified and group V: vitamin C (600 μM was added to neat semen and then vitrified. After warming, sperm analysis was done accordingly. For evaluating the sperm chromatin/DNA integrity status and acrosome reaction, we used toluidine blue (TB, acridine orange (AO, terminal transferase mediated deoxyuridine triphosphate biotin end labeling (TUNEL and double staining tests. Results: All of the sperm parameters (count, motility, morphology and viability had significant differences (P < 0.05 between different groups, especially in group IV. Data showed sperm chromatin damages and acrosome reaction abnormality increased resulted of vitrification, but, in the groups that added vitamin C (IV, V rate of damages was decreased and this was notable in the group IV. Conclusion: Vitamin C can attenuate the detrimental effects of vitrification on sperm parameters, chromatin quality and rate of apoptosis in both neat semen and prepared spermatozoa of normozoospermic samples. Keywords: Vitrification, Spermatozoa, Vitamin C, Chromatin, Human sperm

IMPORTANCE OF KINETIC MEASURES IN TRAJECTORY PREDICTION WITH OPTIMAL CONTROL

Directory of Open Access Journals (Sweden)

Ömer GÜNDOĞDU

2001-02-01

Full Text Available A two-dimensional sagittally symmetric human-body model was established to simulate an optimal trajectory for manual material handling tasks. Nonlinear control techniques and genetic algorithms were utilized in the optimizations to explore optimal lifting patterns. The simulation results were then compared with the experimental data. Since the kinetic measures such as joint reactions and moments are vital parameters in injury determination, the importance of comparing kinetic measures rather than kinematical ones was emphasized.

Reaction and Aggregation Dynamics of Cell Surface Receptors

Science.gov (United States)

Wang, Michelle Dong

This dissertation is composed of both theoretical and experimental studies of cell surface receptor reaction and aggregation. Project I studies the reaction rate enhancement due to surface diffusion of a bulk dissolved ligand with its membrane embedded target, using numerical calculations. The results show that the reaction rate enhancement is determined by ligand surface adsorption and desorption kinetic rates, surface and bulk diffusion coefficients, and geometry. In particular, we demonstrate that the ligand surface adsorption and desorption kinetic rates, rather than their ratio (the equilibrium constant), are important in rate enhancement. The second and third projects are studies of acetylcholine receptor clusters on cultured rat myotubes using fluorescence techniques after labeling the receptors with tetramethylrhodamine -alpha-bungarotoxin. The second project studies when and where the clusters form by making time-lapse movies. The movies are made from overlay of the pseudocolored total internal reflection fluorescence (TIRF) images of the cluster, and the schlieren images of the cell cultures. These movies are the first movies made using TIRF, and they clearly show the cluster formation from the myoblast fusion, the first appearance of clusters, and the eventual disappearance of clusters. The third project studies the fine structural features of individual clusters observed under TIRF. The features were characterized with six parameters by developing a novel fluorescence technique: spatial fluorescence autocorrelation. These parameters were then used to study the feature variations with age, and with treatments of drugs (oligomycin and carbachol). The results show little variation with age. However, drug treatment induced significant changes in some parameters. These changes were different for oligomycin and carbachol, which indicates that the two drugs may eliminate clusters through different mechanisms.

Numerical construction of the p(fold) (committor) reaction coordinate for a Markov process.

Science.gov (United States)

Krivov, Sergei V

2011-10-06

To simplify the description of a complex multidimensional dynamical process, one often projects it onto a single reaction coordinate. In protein folding studies, the folding probability p(fold) is an optimal reaction coordinate which preserves many important properties of the dynamics. The construction of the coordinate is difficult. Here, an efficient numerical approach to construct the p(fold) reaction coordinate for a Markov process (satisfying the detailed balance) is described. The coordinate is obtained by optimizing parameters of a chosen functional form to make a generalized cut-based free energy profile the highest. The approach is illustrated by constructing the p(fold) reaction coordinate for the equilibrium folding simulation of FIP35 protein reported by Shaw et al. (Science 2010, 330, 341-346). © 2011 American Chemical Society

Evaluation of cross sections for 14 important neutron-dosimetry reactions

International Nuclear Information System (INIS)

Wagner, M.; Vonach, H.; Pavlik, A.; Strohmaier, B.; Tagesen, S.; Martinez-Rico, J.

1990-01-01

The evaluation of the cross sections for the neutron dosimetry reactions 24 Mg(n,p) 24 Na, 27 Al(n,α) 24 Na, 58 Ni(n,2n) 57 Ni, 64 Zn(n,p) 64 Cu, 90 Zr(n,2n) 89 Zr and 93 Nb(n,n') 93m Nb carried out at the IRK about ten years ago were updated taking into account recent experimental results. Besides, new evaluations were performed for four additional dosimetry reactions, namely 52 Cr(n,2n) 51 Cr, 59 Co(n,2n) 58 Co, 93 Nb(n,2n) 92m Nb and 197 Au(n,2n) 196 Au. The deadlines for the retrieval of data for the different reactions lay between March 1989 and February 1990. The evaluations comprise the neutron energy range from threshold to 20 MeV, in a few cases this range is extended up to 21 MeV or 30 MeV. Cross sections and their uncertainties were evaluated in energy groups with widths of 0.1 MeV to 2.0 MeV, and relative correlation matrices of the evaluated cross sections at different energies were derived. The results of the evaluations are compared to the previous ones and to other recent evaluations reported in the literature. The main results of our previous evaluations for the reactiosn 19 F(n,2n) 18 F, 31 P(n,p) 31 Si, 63 Cu(n,2n) 62 Cu and 103 Rh(n,n') 103m Rh which remain unchanged are also given for completeness. The evaluations reported in this work will be included in the new version of the IRDF (International Reactor Dosimetry File) of the IAEA in ENDF/B-VI format. (orig.)

Recurrence Relations for the Equilibrium Means of Distributions Arising in Chemical Reactions

Directory of Open Access Journals (Sweden)

E.K. Elsheikh

1997-12-01

Full Text Available In this paper we derive recurrence relations that describe how the equilibrium mean of the number molecules of a reactant varies with each of the parameters defining the initial state for four basic reversible chemical reactions. In essence, the relations provide a rationale for updating the equilibrium mean following the addition (or removal of a molecule of one of the types involved in the reaction, there being a relation for each type. With a new parameterization introduced for each reaction, the relations provide a convenient means of evaluating the means, variances and other important moments without any need to work out the underlying distributions. As an application, the relations are used to numerically assess-approximate expressions for the means and variances.

Identification of biomolecule mass transport and binding rate parameters in living cells by inverse modeling

Directory of Open Access Journals (Sweden)

Shirmohammadi Adel

2006-10-01

Full Text Available Abstract Background Quantification of in-vivo biomolecule mass transport and reaction rate parameters from experimental data obtained by Fluorescence Recovery after Photobleaching (FRAP is becoming more important. Methods and results The Osborne-Moré extended version of the Levenberg-Marquardt optimization algorithm was coupled with the experimental data obtained by the Fluorescence Recovery after Photobleaching (FRAP protocol, and the numerical solution of a set of two partial differential equations governing macromolecule mass transport and reaction in living cells, to inversely estimate optimized values of the molecular diffusion coefficient and binding rate parameters of GFP-tagged glucocorticoid receptor. The results indicate that the FRAP protocol provides enough information to estimate one parameter uniquely using a nonlinear optimization technique. Coupling FRAP experimental data with the inverse modeling strategy, one can also uniquely estimate the individual values of the binding rate coefficients if the molecular diffusion coefficient is known. One can also simultaneously estimate the dissociation rate parameter and molecular diffusion coefficient given the pseudo-association rate parameter is known. However, the protocol provides insufficient information for unique simultaneous estimation of three parameters (diffusion coefficient and binding rate parameters owing to the high intercorrelation between the molecular diffusion coefficient and pseudo-association rate parameter. Attempts to estimate macromolecule mass transport and binding rate parameters simultaneously from FRAP data result in misleading conclusions regarding concentrations of free macromolecule and bound complex inside the cell, average binding time per vacant site, average time for diffusion of macromolecules from one site to the next, and slow or rapid mobility of biomolecules in cells. Conclusion To obtain unique values for molecular diffusion coefficient and

Kinetic parameters of hydroprocessing reactions in a flow reactor

Energy Technology Data Exchange (ETDEWEB)

Raychaudhuri, U.; Banerjee, T.S.; Ghar, R.N. (Indian Institute of Technology, Kharagpur (India))

1994-01-01

The change in distillation properties of a blend of light and heavy distillates over a commercial hydrotreating catalyst was studied using a small packed bed reactor. The results were interpreted assuming a pseudo-component model that took into account the physical and chemical complexity of the system. A first order series-parallel reaction mechanism was found to be valid for the operating conditions involved. Pore diffusion effects were also taken into consideration. 8 refs., 7 figs., 1 tab.

Machine assisted reaction optimization: A self-optimizing reactor system for continuous-flow photochemical reactions

KAUST Repository

Poscharny, K.; Fabry, D.C.; Heddrich, S.; Sugiono, E.; Liauw, M.A.; Rueping, Magnus

2018-01-01

A methodology for the synthesis of oxetanes from benzophenone and furan derivatives is presented. UV-light irradiation in batch and flow systems allowed the [2 + 2] cycloaddition reaction to proceed and a broad range of oxetanes could be synthesized in manual and automated fashion. The identification of high-yielding reaction parameters was achieved through a new self-optimizing photoreactor system.

Machine assisted reaction optimization: A self-optimizing reactor system for continuous-flow photochemical reactions

KAUST Repository

Poscharny, K.

2018-04-07

A methodology for the synthesis of oxetanes from benzophenone and furan derivatives is presented. UV-light irradiation in batch and flow systems allowed the [2 + 2] cycloaddition reaction to proceed and a broad range of oxetanes could be synthesized in manual and automated fashion. The identification of high-yielding reaction parameters was achieved through a new self-optimizing photoreactor system.

Effects of chemical reaction on moving isothermal vertical plate with variable mass diffusion

Directory of Open Access Journals (Sweden)

Muthucumaraswamy R.

2003-01-01

Full Text Available An exact solution to the problem of flow past an impulsively started infinite vertical isothermal plate with variable mass diffusion is presented here, taking into account of the homogeneous chemical reaction of first-order. The dimensionless governing equations are solved by using the Laplace - transform technique. The velocity and skin-friction are studied for different parameters like chemical reaction parameter, Schmidt number and buoyancy ratio parameter. It is observed that the veloc­ity increases with decreasing chemical reaction parameter and increases with increasing buoyancy ratio parameter.

Impact parameter dependent light particle correlations for 40Ar induced reactions on 197Au at E/A = 60 MeV

International Nuclear Information System (INIS)

Kyanowski, A.

1987-01-01

With the help of a multidetector system of 96 plastic detectors, mounted in the forward hemisphere between 3 0 and 30 0 , we measured light charged particles to make an off-line event-type selection. The final aim to distinguish different impact parameter domains with the plastic wall could be achieved using the observed multiplicity as the sampling parameter. With the help of a computer simulation based on a participant-spectator model to describe the reation, the mean observed multiplicity could be established to vary smoothly with the total multiplicity, a variable which is often cited as an indicator for the violence of a reaction. Even if the simulation indicates a broad distribution of the observed multiplicity over the different impact parameters, we could separate the extreme cases of peripheral and central collisions. If the events are selected with the appropriate multiplicity gates, it turns out that peripheral collisions give rise to enhanced correlations, whereas the correlation function is strongly reduced for central collisions. Between these extreme values the correlation reduces smoothly with the impact parameter. The space-time extent of the emitting system is therefore larger for small impact parameters than in peripheral collisions. Supposing that the spatial extent is rather independent of the impact parameter (except for very peripheral collisions) we suggest that the observed variation of the correlation function could indicate a variation of the emission time for light particles rather than a spatial evolution. On the contrary the temperature, determined equally after an event-type selection with the observed multiplicity, shows no variation with the impact parameter. This could indicate that a limiting temperature is reached at a value at which the emission of particles is faster than the temporal development of the temperature. (orig./HSI)

Effect of ozonolysis pretreatment parameters on the sugar release, ozone consumption and ethanol production from sugarcane bagasse.

Science.gov (United States)

Travaini, Rodolfo; Barrado, Enrique; Bolado-Rodríguez, Silvia

2016-08-01

A L9(3)(4) orthogonal array (OA) experimental design was applied to study the four parameters considered most important in the ozonolysis pretreatment (moisture content, ozone concentration, ozone/oxygen flow and particle size) on ethanol production from sugarcane bagasse (SCB). Statistical analysis highlighted ozone concentration as the highest influence parameter on reaction time and sugars release after enzymatic hydrolysis. The increase on reaction time when decreasing the ozone/oxygen flow resulted in small differences of ozone consumptions. Design optimization for sugars release provided a parameters combination close to the best experimental run, where 77.55% and 56.95% of glucose and xylose yields were obtained, respectively. When optimizing the grams of sugar released by gram of ozone, the highest influence parameter was moisture content, with a maximum yield of 2.98gSUGARS/gO3. In experiments on hydrolysates fermentation, Saccharomyces cerevisiae provided ethanol yields around 80%, while Pichia stipitis was completely inhibited. Copyright © 2016 Elsevier Ltd. All rights reserved.

Effect of chemical reaction on unsteady MHD free convective two ...

African Journals Online (AJOL)

The effect of flow parameters on the coefficient of skin friction, Nusselt number and Sherwood number are also tabulated and discussed appropriately. It was observed that the increase in chemical reaction coefficient/parameter suppresses both velocity and concentration profiles. Keywords: Chemical Reaction, MHD, ...

Contribution of 194.1 keV Resonance to 17O(p, alpha) 14N Reaction Rate using R Matrix Code

International Nuclear Information System (INIS)

Chafa, A.; Messili, F.Z.; Barhoumi, S.

2009-01-01

Knowledge of the 17 O(p, alpha ) 14 N reaction rates is required for evaluating elemental abundances in a number of hydrogen - burning stellar sites. This reaction is specifically very important for nucleosynthesis of the rare oxygen isotope 17 O. Classical novae are thought to be a major source of 17 O in the Galaxy and produce the short-live radioisotope 18 F whose + decay is followed by a gamma ray emission which could be observed with satellites such as the Integral observatory. As the 17 O(p, alpha) 14 N and 17 O(p, alpha ) 18 F reactions govern the destruction of 17 O and the formation of 1 '8F, their rates are decisive in determining the final abundances of these isotopes. Stellar temperatures of primary importance for nucleosynthesis are typically in the ranges T = 0.01-0.1 GK for red giant, AGB, and massive stars, and T 0.01-0.4 GK for classical nova explosions In recent work, we observed, for the first time, a resonance a 183.3 keV corresponding to level in 18 F at Ex 5789.8 ± 0.3 keV. A new astrophysical parameters of this resonance are found. In this work we study this reaction using numerical code based on R matrix method including the new values of level energy and parameters of 183.3 keV resonance in order to show his contribution to 17 O(p, alpha) 14 N reaction rates. We also use old parameters values of this resonance given in Keiser work for comparison. We show that this resonance predominate the reaction rates in all range of stellar temperature for classical nova explosions. This is in good agreement with our work with experimental method. We also study cross section and differential cross section 17 O(p, alpha ) 14 N reaction with R matrix method

Comparison of vertical ground reaction forces during overground and treadmill running. A validation study

Directory of Open Access Journals (Sweden)

Kluitenberg Bas

2012-11-01

Full Text Available Abstract Background One major drawback in measuring ground-reaction forces during running is that it is time consuming to get representative ground-reaction force (GRF values with a traditional force platform. An instrumented force measuring treadmill can overcome the shortcomings inherent to overground testing. The purpose of the current study was to determine the validity of an instrumented force measuring treadmill for measuring vertical ground-reaction force parameters during running. Methods Vertical ground-reaction forces of experienced runners (12 male, 12 female were obtained during overground and treadmill running at slow, preferred and fast self-selected running speeds. For each runner, 7 mean vertical ground-reaction force parameters of the right leg were calculated based on five successful overground steps and 30 seconds of treadmill running data. Intraclass correlations (ICC(3,1 and ratio limits of agreement (RLOA were used for further analysis. Results Qualitatively, the overground and treadmill ground-reaction force curves for heelstrike runners and non-heelstrike runners were very similar. Quantitatively, the time-related parameters and active peak showed excellent agreement (ICCs between 0.76 and 0.95, RLOA between 5.7% and 15.5%. Impact peak showed modest agreement (ICCs between 0.71 and 0.76, RLOA between 19.9% and 28.8%. The maximal and average loading-rate showed modest to excellent ICCs (between 0.70 and 0.89, but RLOA were higher (between 34.3% and 45.4%. Conclusions The results of this study demonstrated that the treadmill is a moderate to highly valid tool for the assessment of vertical ground-reaction forces during running for runners who showed a consistent landing strategy during overground and treadmill running. The high stride-to-stride variance during both overground and treadmill running demonstrates the importance of measuring sufficient steps for representative ground-reaction force values. Therefore, an

Computed Potential Energy Surfaces and Minimum Energy Pathways for Chemical Reactions

Science.gov (United States)

Walch, Stephen P.; Langhoff, S. R. (Technical Monitor)

1994-01-01

Computed potential energy surfaces are often required for computation of such parameters as rate constants as a function of temperature, product branching ratios, and other detailed properties. For some dynamics methods, global potential energy surfaces are required. In this case, it is necessary to obtain the energy at a complete sampling of all the possible arrangements of the nuclei, which are energetically accessible, and then a fitting function must be obtained to interpolate between the computed points. In other cases, characterization of the stationary points and the reaction pathway connecting them is sufficient. These properties may be readily obtained using analytical derivative methods. We have found that computation of the stationary points/reaction pathways using CASSCF/derivative methods, followed by use of the internally contracted CI method to obtain accurate energetics, gives usefull results for a number of chemically important systems. The talk will focus on a number of applications including global potential energy surfaces, H + O2, H + N2, O(3p) + H2, and reaction pathways for complex reactions, including reactions leading to NO and soot formation in hydrocarbon combustion.

Optimization of Maillard Reaction in Model System of Glucosamine and Cysteine Using Response Surface Methodology.

Science.gov (United States)

Arachchi, Shanika Jeewantha Thewarapperuma; Kim, Ye-Joo; Kim, Dae-Wook; Oh, Sang-Chul; Lee, Yang-Bong

2017-03-01

Sulfur-containing amino acids play important roles in good flavor generation in Maillard reaction of non-enzymatic browning, so aqueous model systems of glucosamine and cysteine were studied to investigate the effects of reaction temperature, initial pH, reaction time, and concentration ratio of glucosamine and cysteine. Response surface methodology was applied to optimize the independent reaction parameters of cysteine and glucosamine in Maillard reaction. Box-Behnken factorial design was used with 30 runs of 16 factorial levels, 8 axial levels and 6 central levels. The degree of Maillard reaction was determined by reading absorption at 425 nm in a spectrophotometer and Hunter's L, a, and b values. ΔE was consequently set as the fifth response factor. In the statistical analyses, determination coefficients (R 2 ) for their absorbance, Hunter's L, a, b values, and ΔE were 0.94, 0.79, 0.73, 0.96, and 0.79, respectively, showing that the absorbance and Hunter's b value were good dependent variables for this model system. The optimum processing parameters were determined to yield glucosamine-cysteine Maillard reaction product with higher absorbance and higher colour change. The optimum estimated absorbance was achieved at the condition of initial pH 8.0, 111°C reaction temperature, 2.47 h reaction time, and 1.30 concentration ratio. The optimum condition for colour change measured by Hunter's b value was 2.41 h reaction time, 114°C reaction temperature, initial pH 8.3, and 1.26 concentration ratio. These results can provide the basic information for Maillard reaction of aqueous model system between glucosamine and cysteine.

Channel separation using the transversity parameter in the pi /sup +/n to p pi /sup +/ pi /sup -/ reaction at 9 GeV/c

CERN Document Server

Armenise, N

1978-01-01

To solve the problem of separating competitive channels in a multiparticle final state the use of a parameter, called A(*), measuring the 'event transversity' has been suggested. The A parameter is found to be as powerful as prism plot analysis in separating different channels and economic with respect to the computer time. The transversity method is applied to the three-body reaction p/sup +/n to p pi /sup +/ pi /sup -/ at 9 TeV/c selected in pi /sup +/d interactions obtained in 2m-DBC exposed at CERN-PS. The main contributions in the final state are rho /sup 0/, f, g/sup 0/ (a dipion mass resonance) resonance production and neutron diffraction dissociation. (5 refs).

[Study of Reaction Dynamics between Bovine Serum Albumin and Folic Acid by Stopped-Flow/Fluorescence].

Science.gov (United States)

Ye, San-xian; Luo, Yun-jing; Qiao, Shu-liang; Li, Li; Liu, Cai-hong; Shi, Jian-long; An, Xue-jing

2016-01-01

As a kind of coenzyme of one-carbon enzymes in vivo, folic acid belongs to B vitamins, which can interact with other vitamins and has great significance for converting among amino acids, dividing growth of cells and protein synthesis reactions. Half-life, concentration and reaction rate constant of drugs are important parameters in pharmacokinetic study. In this paper, by utilizing fluorescence spectrophotometer and stopped-flow spectrum analyzer, reaction kinetic parameters between bovine serum albumin(BSA) and folic acid in a bionic system have been investigated, which provide references for parameters of drug metabolism related to folic acid. By using Stern-Volmer equation dealing with fluorescence quenching experiments data, we concluded that under 25, 30, and 37 degrees C, the static quenching constants of folic acid to intrinsic fluorescence from bovine serum albumin were 2.455 x 10(10), 4.900 x 10(10) and 6.427 x 10(10) L x mol(-1) x s(-1) respectively; The results of kinetic reaction rate have shown that the reaction rate of BSA and folic acid are greater than 100 mol x L(-1) x s(-1) at different temperatures, pH and buffering media, illustrating that the quenching mechanism between BSA and folic acid is to form composite static quenching process. Reaction concentration of bovine serum albumin and its initial concentration were equal to the secondary reaction formula, and the correlation coefficient was 0.998 7, while the half-life (t1/2) was 0.059 s at physiological temperature. With the increase of folic acid concentration, the apparent rate constant of this reaction had a linear increasing trend, the BSA fluorescence quenching rate constant catalyzed by folic acid was 3.174 x 10(5) mol x L(-1) x s(-1). Furthermore, with different buffer, the apparent rate constant and reaction rate constant of BSA interacting with folic acid were detected to explore the influence on the reaction under physiological medium, which is of great significance to determine the

An estimation of crude oil import demand in Turkey: Evidence from time-varying parameters approach

International Nuclear Information System (INIS)

Ozturk, Ilhan; Arisoy, Ibrahim

2016-01-01

The aim of this study is to model crude oil import demand and estimate the price and income elasticities of imported crude oil in Turkey based on a time-varying parameters (TVP) approach with the aim of obtaining accurate and more robust estimates of price and income elasticities. This study employs annual time series data of domestic oil consumption, real GDP, and oil price for the period 1966–2012. The empirical results indicate that both the income and price elasticities are in line with the theoretical expectations. However, the income elasticity is statistically significant while the price elasticity is statistically insignificant. The relatively high value of income elasticity (1.182) from this study suggests that crude oil import in Turkey is more responsive to changes in income level. This result indicates that imported crude oil is a normal good and rising income levels will foster higher consumption of oil based equipments, vehicles and services by economic agents. The estimated income elasticity of 1.182 suggests that imported crude oil consumption grows at a higher rate than income. This in turn reduces oil intensity over time. Therefore, crude oil import during the estimation period is substantially driven by income. - Highlights: • We estimated the price and income elasticities of imported crude oil in Turkey. • Income elasticity is statistically significant and it is 1.182. • The price elasticity is statistically insignificant. • Crude oil import in Turkey is more responsive to changes in income level. • Crude oil import during the estimation period is substantially driven by income.

Scattering and transfer reactions with heavy ions

International Nuclear Information System (INIS)

Hussein, M.S.

From the elastic scattering analysis the input parameters are found for the inelastic scattering analysis and the transfer reactions of the heavy ion reactions. The main theme reported is the likeness and conection among these processes. (L.C.) [pt

COMPARISON OF PRODUCTION PARAMETERS BETWEEN THE FIRST GENERATION OF A-LINE IMPORTED AND BRED GILTS ON THE NUCLEUS FARM VELIKA BRANJEVINA

Directory of Open Access Journals (Sweden)

Dragica Dubravac

2013-06-01

Full Text Available Comparison of productive parameters of two analyzed groups (the first generation of imported gilts and the gilts born on the domestic farm was conducted on a nucleus farm that imported the gilt lines from the TOPIGS breeding program. For the purposes of the nucleus pig farm, TOPIGS gilts were imported from Netherlands. The nucleus farm where the analysis of the two groups’ productive parameters was conducted imported the ancestral and grandfather lines to produce the parenting generation TOPIGS 40 sows which are bred with a Pietrain line of boars. The TOPIGS 40 sow is an animal based on A-line and B-line characterized by high fertility rate, excellent maternal characteristics, good capacity for growth, and quality meaty body. The analysis of productive parameters of the two observed groups of gilts (the first generation of 105 imported gilts and 88 gilts born on the domestic farm resulted in significantly higher number of total born, born alive and weaned piglets after the first farrowing (P<0.001 as well as significantly higher number of total born and born alive piglets at third farrowing (P<0.05. The results of the observed qualities confirm the fact that, apart from the unquestionable genetic potential, other factors such as adaptation, accommodation conditions, microclimate, nutrition, and management have a significant effect on the increase of production results.

Study of astrophysically important resonant states in 30 S using the 32S(p,t30 S reaction

Directory of Open Access Journals (Sweden)

Wrede C.

2010-03-01

Full Text Available A small fraction (< 1% of presolar SiC grains is suggested to have been formed in the ejecta of classical novae. The 29P(p,γ30S reaction plays an important role in understanding the Si isotopic abundances in such grains, which in turn provide us with information on the nature of the probable white dwarf progenitor’s core, as well as the peak temperatures achieved during nova outbursts, and thus the nova nucleosynthetic path. The 29P(p,γ30S reaction rate at nova temperatures is determined by two low-lying 3+ and 2+ resonances above the proton threshold at 4399 keV in 30S. Despite several experimental studies in the past, however, only one of these two states has only been observed very recently. We have studied the 30S nuclear structure via the 32S(p,t 30S reaction at 5 laboratory angles between 9° to 62°. We have observed 14 states, eleven of which are above the proton threshold, including two levels at 4692.7 ± 4.5 keV and 4813.8 ± 3.4 keV that are candidates for the 3+ and the previously “issing” 2+ state, respectively.

Importance of hydrological parameters in contaminant transport modeling in a terrestrial environment

International Nuclear Information System (INIS)

Tsuduki, Katsunori; Matsunaga, Takeshi

2007-01-01

A grid type multi-layered distributed parameter model for calculating discharge in a watershed was described. Model verification with our field observation resulted in different sets of hydrological parameter values, all of which reproduced the observed discharge. The effect of those varied hydrological parameters on contaminant transport calculation was examined and discussed by simulation of event water transfer. (author)

Heavy ion transfer reactions

International Nuclear Information System (INIS)

Weisser, D.C.

1977-06-01

To complement discussions on the role of γ rays in heavy ion induced reactions, the author discusses the role played by particle detection. Transfer reactions are part of this subject and are among those in which one infers the properties of the residual nucleus in a reaction by observing the emerging light nucleus. Inelastic scattering ought not be excluded from this subject, although no particles are transferred, because of the role it plays in multistep reactions and in fixing O.M. parameters describing the entrance channel of the reaction. Heavy ion transfer reaction studies have been under study for some years and yet this research is still in its infancy. The experimental techniques are difficult and the demands on theory rigorous. One of the main products of heavy ion research has been the thrust to re-examine the assumptions of reaction theory and now include many effects neglected for light ion analysis. This research has spurred the addition of multistep processes to simple direct processes and coupled channel calculations. (J.R.)

Reaching to a featured formula to deduce the energy of the heaviest particles producing from the controlled thermonuclear fusion reactions

Science.gov (United States)

Majeed, Raad H.; Oudah, Osamah N.

2018-05-01

Thermonuclear fusion reaction plays an important role in developing and construction any power plant system. Studying the physical behavior for the possible mechanism governed energies released by the fusion products to precise understanding the related kinematics. In this work a theoretical formula controlled the general applied thermonuclear fusion reactions is achieved to calculating the fusion products energy depending upon the reactants physical properties and therefore, one can calculate other parameters governed a given reaction. By using this formula, the energy spectrum of 4He produced from T-3He fusion reaction has been sketched with respect to reaction angle and incident energy ranged from (0.08-0.6) MeV.

Maillard Reaction: review

Directory of Open Access Journals (Sweden)

Júlia d'Almeida Francisquini

2017-11-01

Full Text Available Maillard reaction is an important subject of study in food science and technology and different areas of knowledge are involved such as chemistry, food engineering, nutrition and food technology. The objective of this paper is to present the basic concepts of the Maillard reaction, such as the reaction stages, the main compounds producced and some technological consequences for dairy products.

Predicting the wheel rolling resistance regarding important motion parameters using the artificial neural network

Directory of Open Access Journals (Sweden)

F Gheshlaghi

2016-04-01

Full Text Available Introduction: Rolling resistance is one of the most substantial energy losses when the wheel moves on soft soil. Rolling resistance value optimization will help to improve energy efficiency. Accurate modeling of the interaction soil-tire is an important key to this optimization and has eliminated the need for costly field tests and has reduced the time required to test. Rolling resistance will change because of the tire and wheel motion parameters and characteristics of the ground surface. Some tire design parameters are more important such as the tire diameter, width, tire aspect ratio, lugs form, inflation pressure and mechanical properties of tire structure. On the other hand, the soil or ground surface characteristics include soil type; moisture content and bulk density have an important role in this phenomenon. In addition, the vertical load and the wheel motion parameters such as velocity and tire slip are the other factors which impact on tire rolling resistance. According to same studies about the rolling resistance of the wheel, the wheel is significantly affected by the dynamic load. Tire inflation pressure impacted on rolling resistance of tires that were moving on hard surfaces. Studies showed that the rolling resistance of tires with low inflation pressure (less than 100 kPa was too high. According to Zoz and Griss researches, increasing the tire pressure increases rolling resistance on soft soil but reduces the rolling resistance of on-road tires and tire-hard surface interaction. Based on these reports, the effect of velocity on tire rolling resistance for tractors and vehicles with low velocity (less than 5 meters per second is usually insignificant. According to Self and Summers studies, rolling resistance of the wheel is dramatically affected by dynamic load on the wheel. Artificial Neural Network is one of the best computational methods capable of complex regression estimation which is an advantage of this method compared with

Palladium-catalyzed coupling reactions

CERN Document Server

Molnár, Árpád

2013-01-01

This handbook and ready reference brings together all significant issues of practical importance for interested readers in one single volume. While covering homogeneous and heterogeneous catalysis, the text is unique in focusing on such important aspects as using different reaction media, microwave techniques or catalyst recycling. It also provides a comprehensive treatment of modern-day coupling reactions and emphasizes those topics that show potential for future development, such as continuous flow systems, water as a reaction medium, and catalyst immobilization, among others. With i

Site selectivity of specific reaction steps important for catalysis

DEFF Research Database (Denmark)

Nielsen, Kenneth

) overlayer system. In the STM study of the structure sensitivity of the CO dissociation reaction on the Ru(0 1 54) sample, it was determined that after cooling the sample from 700K to 400K in 10-8Torr of CO or in the CO that was left after a TPD, the sample displayed periodic decorations on every other...... site, is the most stable conguration after dissociation. Preliminary results where the sample was exposed to high doses of CO, at a CO pressure of 10-5 Torr and a temperature of 550K (dissociation conditions) indicated that especially every other step had a very rough appearance after 7 min exposure...

The Effect of Stiffness Parameter on Mass Distribution in Heavy-Ion Induced Fission

Science.gov (United States)

Soheyli, Saeed; Khalil Khalili, Morteza; Ashrafi, Ghazaaleh

2018-06-01

The stiffness parameter of the composite system has been studied for several heavy-ion induced fission reactions without the contribution of non-compound nucleus fission events. In this research, determination of the stiffness parameter is based on the comparison between the experimental data on the mass widths of fission fragments and those predicted by the statistical model treatments at the saddle and scission points. Analysis of the results shows that for the induced fission reactions of different targets by the same projectile, the stiffness parameter of the composite system decreases with increasing the fissility parameter, as well as with increasing the mass number of the compound nucleus. This parameter also exhibits a similar behavior for the reactions of a given target induced by different projectiles. As expected, nearly same stiffness values are obtained for different reactions leading to the same compound nucleus.

The reaction index and positivity ratio revisited

DEFF Research Database (Denmark)

Andersen, Klaus Ejner; Andersen, Flemming

2008-01-01

BACKGROUND AND OBJECTIVES: Assessing the quality of patch test preparations continues to be a challenge. 2 parameters, the reaction index (RI) and positivity ratio (PR), have been proposed as quality indicators by the Information Network of Departments of Dermatology (IVDK). The value of these st......BACKGROUND AND OBJECTIVES: Assessing the quality of patch test preparations continues to be a challenge. 2 parameters, the reaction index (RI) and positivity ratio (PR), have been proposed as quality indicators by the Information Network of Departments of Dermatology (IVDK). The value...

Geochemical sensitivity analysis: Identification of important geochemical parameters for performance assessment studies

International Nuclear Information System (INIS)

Siegel, M.; Guzowski, R.; Rechard, R.; Erickson, K.

1986-01-01

The EPA Standard for geologic disposal of high level waste requires demonstration that the cumulative discharge of individual radioisotopes over a 10,000 year period at points 5 kilometers from the engineered barrier system will not exceed the limits prescribed in 40 CFR Part 191. The roles of the waste package, engineered facility, hydrogeology and geochemical processes in limiting radionuclide releases all must be considered in calculations designed to assess compliance of candidate repositories with the EPA Standard. In this talk, they will discuss the geochemical requirements of calculations used in these compliance assessments. In addition, they will describe the complementary roles of (1) simple models designed to bound the radionuclide discharge over the widest reasonable range of geochemical conditions and scenarios and (2) detailed geochemical models which can provide insights into the actual behavior of the radionuclides in the ground water. Finally, they will discuss development of sensitivity/uncertainty techniques designed to identify important site-specific geochemical parameters and processes using data from a basalt formation

Polarization parameters. sigma. , T, and P for the reaction. gamma. p. -->. p. pi. /sup 0/ in the region of the first resonance

Energy Technology Data Exchange (ETDEWEB)

Belyaev, A.A.; Get' man, V.A.; Gorbenko, V.G.; Gushchin, V.A.; Derkach, A.Y.; Zhebrovskii, Y.V.; Karnaukhov, I.M.; Kolesnikov, L.Y.; Lukhanin, A.A.; Rubashkin, A.L.; Sorokin, P.V.; Sporov, E.A.; Telegin, Y.N.

1982-03-01

We report an experimental study of the ..sigma.., T, and P parameters of the cross section for the reaction ..gamma..p..-->..p..pi../sup 0/ for photon energies 300, 320, 350, 380, 400, 420 MeV in the range of pion emission angles 60--135/sup 0/ c.m.s. The technique of a double polarization experiment with use of linearly polarized photons and a polarized proton target is described. The experimental results are compared with the predictions of theoretical analyses.

Investigations on the effect of reaction parameters over Fe/Cu/K ...

Indian Academy of Sciences (India)

Satyen Kumar Das

2018-06-01

Jun 1, 2018 ... (olefin/paraffin) O/P ratio were observed and analyzed to select the optimum values. Reaction ..... CO conversion level and change the product selectivity. ..... Fe–Co–Mn catalyst for CO hydrogenation J. Ind. Eng. Chem.

Optimization and kinetic studies of sea mango (Cerbera odollam) oil for biodiesel production via supercritical reaction

International Nuclear Information System (INIS)

Ang, Gaik Tin; Ooi, San Nee; Tan, Kok Tat; Lee, Keat Teong; Mohamed, Abdul Rahman

2015-01-01

Highlights: • Sea mango oil as feedstock for biodiesel via non-catalytic supercritical reaction. • Extracted sea mango oil with high FFA could produce high yield of FAME. • Employment of Response Surface Methodology for optimization of FAME. • Kinetic study for reversible transesterification and esterification reactions. - Abstract: Sea mango (Cerbera odollam) oil, which is rich in free fatty acids, was utilized to produce fatty acid methyl esters (FAME) via supercritical transesterification reaction. Sea mango oil was extracted from seeds and was subsequently reacted with methanol in a batch-type supercritical reactor. Response surface methodology (RSM) analysis was used to optimize important parameters, including reaction temperature, reaction time and the molar ratio of methanol to oil. The optimum conditions were found as 380 °C, 40 min and 45:1 mol/mol, respectively, to achieve 78% biodiesel content. The first kinetic modelling of FAME production from sea mango oil incorporating reversible transesterification and reversible esterification was verified simultaneously. The kinetic parameters, including reaction rate constants, k, the pre-exponential constant, A, and the activation energy, Ea, for transesterification and esterification were determined using an ordinary differential equation (ODE45) solver. The highest activation energy of 40 kJ/mol and the lowest reaction rate constant of 2.50 × 10 −5 dm 3 /mol s verified that the first stepwise reaction of TG to produce DG was the rate-limiting step

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

Simultaneous fitting of statistical-model parameters to symmetric and asymmetric fission cross sections

International Nuclear Information System (INIS)

Mancusi, D; Charity, R J; Cugnon, J

2013-01-01

The de-excitation of compound nuclei has been successfully described for several decades by means of statistical models. However, accurate predictions require some fine-tuning of the model parameters. This task can be simplified by studying several entrance channels, which populate different regions of the parameter space of the compound nucleus. Fusion reactions play an important role in this strategy because they minimise the uncertainty on the entrance channel by fixing mass, charge and excitation energy of the compound nucleus. If incomplete fusion is negligible, the only uncertainty on the compound nucleus comes from the spin distribution. However, some de-excitation channels, such as fission, are quite sensitive to spin. Other entrance channels can then be used to discriminate between equivalent parameter sets. The focus of this work is on fission and intermediate-mass-fragment emission cross sections of compound nuclei with 70 70 ≲ A ≲ 240. 240. The statistical de-excitation model is GEMINI++. The choice of the observables is natural in the framework of GEMINI++, which describes fragment emission using a fissionlike formalism. Equivalent parameter sets for fusion reactions can be resolved using the spallation entrance channel. This promising strategy can lead to the identification of a minimal set of physical ingredients necessary for a unified quantitative description of nuclear de-excitation.

Energy dissipation in the process of ternary fission in heavy nuclear reaction

International Nuclear Information System (INIS)

Li Xian; Wang Chengqian; Yan Shiwei

2015-01-01

We studied the evolution of the collective motion, interaction potential, the total kinetic and excitation energies in ternary fissions of 197 Au + 197 Au system at 15 MeV/u, and discussed energy dissipation of this reaction. Through the comparison with energy-angle correlation data in binary fissions, we preliminarily concluded that the rst fission of ternary fission was an extreme deep-inelastic process. We further analyzed the correlation of the total kinetic energy with impact parameters in both binary and ternary reactions, and found that the total energy of binary reactions systems was lost about 150 MeV more than ternary fission with small impact parameters, and with larger impact parameters the total energy of ternary reactions were lost 300 MeV more than binary reactions. (authors)

The AEP Barnbook DATLIB. Nuclear Reaction Cross Sections and Reactivity Parameter Library and Files

International Nuclear Information System (INIS)

Feldbacher, R.

1987-10-01

Nuclear reaction data for light isotope charged particle reactions (Z<6) have been compiled. This hardcopy contains file headers, plots and an extended bibliography. Numerical data files and processing routines are available on tape at IAEA-NDS. (author). Refs

Identification of Important Parameter from Leachate Solid Waste Landfill on Water Quality, Case Study of Pesanggrahan River

Science.gov (United States)

Yanidar, R.; Hartono, D. M.; Moersidik, S. S.

2018-03-01

Cipayung Landfill takes waste generation from Depok City approximately ± 750 tons/day of solid waste. The south and west boundaries of the landfill is Pesanggarahan River which 200m faraway. The objectives of this study are to indicate an important parameter which greatly affects the water quality of Pesanggrahan River and purpose the dynamic model for improving our understanding of the dynamic behavior that captures the interactions and feedbacks important parameter in river in order to identify and assess the effects of the treated leachate from final solid waste disposal activity as it responds to changes over time in the river. The high concentrations of BOD and COD are not the only cause significantly affect the quality of the pesanggrahan water, it also because the river has been contaminated in the upstream area. It need the water quality model to support the effectiveness calculation of activities for preventing a selected the pollutant sources the model should be developed for simulating and predicting the trend of water quality performance in Pesanggrahan River which can potentially be used by policy makers in strategic management to sustain river water quality as raw drinking water.

Stepped MS(All) Relied Transition (SMART): An approach to rapidly determine optimal multiple reaction monitoring mass spectrometry parameters for small molecules.

Science.gov (United States)

Ye, Hui; Zhu, Lin; Wang, Lin; Liu, Huiying; Zhang, Jun; Wu, Mengqiu; Wang, Guangji; Hao, Haiping

2016-02-11

Multiple reaction monitoring (MRM) is a universal approach for quantitative analysis because of its high specificity and sensitivity. Nevertheless, optimization of MRM parameters remains as a time and labor-intensive task particularly in multiplexed quantitative analysis of small molecules in complex mixtures. In this study, we have developed an approach named Stepped MS(All) Relied Transition (SMART) to predict the optimal MRM parameters of small molecules. SMART requires firstly a rapid and high-throughput analysis of samples using a Stepped MS(All) technique (sMS(All)) on a Q-TOF, which consists of serial MS(All) events acquired from low CE to gradually stepped-up CE values in a cycle. The optimal CE values can then be determined by comparing the extracted ion chromatograms for the ion pairs of interest among serial scans. The SMART-predicted parameters were found to agree well with the parameters optimized on a triple quadrupole from the same vendor using a mixture of standards. The parameters optimized on a triple quadrupole from a different vendor was also employed for comparison, and found to be linearly correlated with the SMART-predicted parameters, suggesting the potential applications of the SMART approach among different instrumental platforms. This approach was further validated by applying to simultaneous quantification of 31 herbal components in the plasma of rats treated with a herbal prescription. Because the sMS(All) acquisition can be accomplished in a single run for multiple components independent of standards, the SMART approach are expected to find its wide application in the multiplexed quantitative analysis of complex mixtures. Copyright © 2015 Elsevier B.V. All rights reserved.

A coupled transport and solid mechanics formulation with improved reaction kinetics parameters for modeling oxidation and decomposition in a uranium hydride bed.

Energy Technology Data Exchange (ETDEWEB)

Salloum, Maher N.; Shugard, Andrew D.; Kanouff, Michael P.; Gharagozloo, Patricia E.

2013-03-01

Modeling of reacting flows in porous media has become particularly important with the increased interest in hydrogen solid-storage beds. An advanced type of storage bed has been proposed that utilizes oxidation of uranium hydride to heat and decompose the hydride, releasing the hydrogen. To reduce the cost and time required to develop these systems experimentally, a valid computational model is required that simulates the reaction of uranium hydride and oxygen gas in a hydrogen storage bed using multiphysics finite element modeling. This SAND report discusses the advancements made in FY12 (since our last SAND report SAND2011-6939) to the model developed as a part of an ASC-P&EM project to address the shortcomings of the previous model. The model considers chemical reactions, heat transport, and mass transport within a hydride bed. Previously, the time-varying permeability and porosity were considered uniform. This led to discrepancies between the simulated results and experimental measurements. In this work, the effects of non-uniform changes in permeability and porosity due to phase and thermal expansion are accounted for. These expansions result in mechanical stresses that lead to bed deformation. To describe this, a simplified solid mechanics model for the local variation of permeability and porosity as a function of the local bed deformation is developed. By using this solid mechanics model, the agreement between our reacting bed model and the experimental data is improved. Additionally, more accurate uranium hydride oxidation kinetics parameters are obtained by fitting the experimental results from a pure uranium hydride oxidation measurement to the ones obtained from the coupled transport-solid mechanics model. Finally, the coupled transport-solid mechanics model governing equations and boundary conditions are summarized and recommendations are made for further development of ARIA and other Sandia codes in order for them to sufficiently implement the model.

Global Controllability of Chemical Reactions

OpenAIRE

Drexler, Dániel András; Tóth, János

2015-01-01

Controllability of chemical reactions is an important problem in chemical engineering science. In control theory, analysis of the controllability of linear systems is well-founded, however the dynamics of chemical reactions is usually nonlinear. Global controllability properties of chemical reactions are analyzed here based on the Lie-algebra of the vector fields associated to elementary reactions. A chemical reaction is controllable almost everywhere if all the reaction rate coefficients can...

Process parameters affecting the delignification of eucalyptus kraft pulp with peroxyacetic acid

Directory of Open Access Journals (Sweden)

Chandranupap, P.

2004-11-01

Full Text Available Various process parameters affecting eucalyptus kraft pulp delignification with peroxyacetic acid were investigated. The results showed that pH was an important factor. The delignification rate increased with increasing pH to the value of 6. High delignification rate was obtained when the pulp was chelated with Na4-EDTA prior to the peroxyacetic acid stage. Therefore, delignification reaction rate depends on peroxyacid charge, temperature, pH and metal content of pulp.

Pre-equilibrium emission of nucleons from reactions induced by medium-energy heavy ions

International Nuclear Information System (INIS)

Korolija, M.; Holuh, E.; Cindro, N.; Hilscher, D.

1984-01-01

Recent data on fast-nucleon emission in heavy-ion-induced reactions are analysed successfully in terms of pre-equilibrium models; it is shown that the relevant parameters of those models preserve the physical meaning they have in light-ion-induced reactions. The initial exciton number obtained from a Griffin-plot analysis and the initial number of degrees of freedom, which is the relevant parameter of the modified HMB model, appear to be approximately equal for a given reaction at a given energy. It is inferred that, for heavy-ion reactions, the determination of such a parameter is substantially dominated by the centre-of-mass energy per nucleon above the Coulomb barrier, in contrast with the results of nucleon-induced reactions

System Identification for Experimental Study for Polymerization Catalyst Reaction in Fluidized Bed

Directory of Open Access Journals (Sweden)

Ahmmed Saadi Ibrehem

2011-11-01

Full Text Available In this work, system identification method is used to capture the reactor characteristics of production rate of polyethylene (PE based on published experimental data. The identification method is used to measure the percentage effect on the production rate of PE by measuring the effect of input factors of temperature of reaction, hydrogen concentration, and [Al]/[Ti] molar catalyst ratio. Temperature of reaction has big effects equal 52.4 % on the output of the system and 47.6 % on interaction of the system's parameters compare to other two factors. Also, hydrogen concentration has big effect equal 45.66 % on the output of the system and 14.7 % on interaction of the system's parameters. [Al]/[Ti] molar catalyst ratio has big effect on interaction of the system equal 28.6 and 1.94 % on the output of the system but less than the reaction temperature and hydrogen concentration. All these results depend on experiment results and these results are very important in industrial plants. ©2011 BCREC UNDIP. All rights reserved(Received: 13rd May 2011; Revised: 27th July 2011; Accepted: 22th September 2011[How to Cite: Ahmmed S. Ibrehem. (2011. System Identification for Experimental Study for Polymerization Catalyst Reaction in Fluidized Bed. Bulletin of Chemical Reaction Engineering & Catalysis, 6 (2: 137-146. doi:10.9767/bcrec.6.2.874.137-146][How to Link / DOI: http://dx,doi.org/10.9767/bcrec.6.2.874.137-146 || or local:  http://ejournal.undip.ac.id/index.php/bcrec/article/view/874 ] | View in 

Nuclear reaction data for IBA applications to cultural heritage diagnostics

Energy Technology Data Exchange (ETDEWEB)

Maino, G.; Menapace, E. [Bologna Univ., ENEA (Italy)

2008-07-01

Main aspects are discussed concerning nuclear reaction cross-sections for PIXE and PIGE (Particle Induced Gamma-ray Emission) analyses, especially referring to cultural heritage diagnostics, within the framework of ion beam analysis (IBA) methods, also reviewing recent results from international Conferences on Nuclear Data for Science and Technology and from NEANSC meetings and IAEA initiatives on the matter.To sum up this work, it is then worth remarking the following items: IBA techniques are powerful tools to derive unique information as for corrosion, degradation and, generally, conservation conditions of materials. Careful analyses of specific systems require accurate evaluations and establishment of complete databases, in particular for stopping powers and relevant cross sections. The physical parameters to be accurately determined are, therefore, nuclear reaction cross sections of importance for NRA analysis of light elements and stopping powers and ranges of light and heavy ions in various matrices. Light elements (H, Li, B, C, N, O, etc.) play an important role as constituents of many important organic as well inorganic materials in historical and artistic objects. To a large extent these materials occur in the near-surface area of a material with altered or degraded composition.

Nuclear reaction data for IBA applications to cultural heritage diagnostics

International Nuclear Information System (INIS)

Maino, G.; Menapace, E.

2008-01-01

Main aspects are discussed concerning nuclear reaction cross-sections for PIXE and PIGE (Particle Induced Gamma-ray Emission) analyses, especially referring to cultural heritage diagnostics, within the framework of ion beam analysis (IBA) methods, also reviewing recent results from international Conferences on Nuclear Data for Science and Technology and from NEANSC meetings and IAEA initiatives on the matter.To sum up this work, it is then worth remarking the following items: IBA techniques are powerful tools to derive unique information as for corrosion, degradation and, generally, conservation conditions of materials. Careful analyses of specific systems require accurate evaluations and establishment of complete databases, in particular for stopping powers and relevant cross sections. The physical parameters to be accurately determined are, therefore, nuclear reaction cross sections of importance for NRA analysis of light elements and stopping powers and ranges of light and heavy ions in various matrices. Light elements (H, Li, B, C, N, O, etc.) play an important role as constituents of many important organic as well inorganic materials in historical and artistic objects. To a large extent these materials occur in the near-surface area of a material with altered or degraded composition

Confining Domains Lead to Reaction Bursts: Reaction Kinetics in the Plasma Membrane

Science.gov (United States)

Kalay, Ziya; Fujiwara, Takahiro K.; Kusumi, Akihiro

2012-01-01

Confinement of molecules in specific small volumes and areas within a cell is likely to be a general strategy that is developed during evolution for regulating the interactions and functions of biomolecules. The cellular plasma membrane, which is the outermost membrane that surrounds the entire cell, was considered to be a continuous two-dimensional liquid, but it is becoming clear that it consists of numerous nano-meso-scale domains with various lifetimes, such as raft domains and cytoskeleton-induced compartments, and membrane molecules are dynamically trapped in these domains. In this article, we give a theoretical account on the effects of molecular confinement on reversible bimolecular reactions in a partitioned surface such as the plasma membrane. By performing simulations based on a lattice-based model of diffusion and reaction, we found that in the presence of membrane partitioning, bimolecular reactions that occur in each compartment proceed in bursts during which the reaction rate is sharply and briefly increased even though the asymptotic reaction rate remains the same. We characterized the time between reaction bursts and the burst amplitude as a function of the model parameters, and discussed the biological significance of the reaction bursts in the presence of strong inhibitor activity. PMID:22479350

Confining domains lead to reaction bursts: reaction kinetics in the plasma membrane.

Directory of Open Access Journals (Sweden)

Ziya Kalay

Full Text Available Confinement of molecules in specific small volumes and areas within a cell is likely to be a general strategy that is developed during evolution for regulating the interactions and functions of biomolecules. The cellular plasma membrane, which is the outermost membrane that surrounds the entire cell, was considered to be a continuous two-dimensional liquid, but it is becoming clear that it consists of numerous nano-meso-scale domains with various lifetimes, such as raft domains and cytoskeleton-induced compartments, and membrane molecules are dynamically trapped in these domains. In this article, we give a theoretical account on the effects of molecular confinement on reversible bimolecular reactions in a partitioned surface such as the plasma membrane. By performing simulations based on a lattice-based model of diffusion and reaction, we found that in the presence of membrane partitioning, bimolecular reactions that occur in each compartment proceed in bursts during which the reaction rate is sharply and briefly increased even though the asymptotic reaction rate remains the same. We characterized the time between reaction bursts and the burst amplitude as a function of the model parameters, and discussed the biological significance of the reaction bursts in the presence of strong inhibitor activity.

[Drug surveillance and adverse reactions to drugs. The literature and importance of historical data].

Science.gov (United States)

Mariani, L; Minora, T; Ventresca, G P

1996-12-01

The authors highlight the essential role of pharmacovigilance and the need for a simple, efficient and low-cost system of adverse reaction (AR) reporting which could cover the whole population and all marketed drugs, and suggest that the only one presently viable is based on spontaneous reporting. To support their proposal the authors provide a definition of AR and of the different monitoring system, and list as many drugs as possible to find in the literature that have been associated with a specific AR, together with the active molecule, the therapeutic indication, the features of the AR and the regulatory actions (withdrawal from the market, restriction of use). Moreover, by describing the "history" behind some of these drugs the authors highlight the contribution that pharmacovigilance and spontaneous reporting have had to the development of regulations for approval and marketing of new drugs. It is also highlighted how some of these unexpected events (thalidomide, DES) have had a significant and important contribution to pharmacological and toxicological knowledge.

Calculation of total free energy yield as an alternative approach for predicting the importance of potential chemolithotrophic reactions in geothermal springs.

Science.gov (United States)

Dodsworth, Jeremy A; McDonald, Austin I; Hedlund, Brian P

2012-08-01

To inform hypotheses regarding the relative importance of chemolithotrophic metabolisms in geothermal environments, we calculated free energy yields of 26 chemical reactions potentially supporting chemolithotrophy in two US Great Basin hot springs, taking into account the effects of changing reactant and product activities on the Gibbs free energy as each reaction progressed. Results ranged from 1.2 × 10(-5) to 3.6 J kg(-1) spring water, or 3.7 × 10(-5) to 11.5 J s(-1) based on measured flow rates, with aerobic oxidation of CH(4) or NH4 + giving the highest average yields. Energy yields calculated without constraining pH were similar to those at constant pH except for reactions where H(+) was consumed, which often had significantly lower yields when pH was unconstrained. In contrast to the commonly used normalization of reaction chemical affinities per mole of electrons transferred, reaction energy yields for a given oxidant varied by several orders of magnitude and were more sensitive to differences in the activities of products and reactants. The high energy yield of aerobic ammonia oxidation is consistent with previous observations of significant ammonia oxidation rates and abundant ammonia-oxidizing archaea in sediments of these springs. This approach offers an additional lens through which to view the thermodynamic landscape of geothermal springs. © 2012 Federation of European Microbiological Societies. Published by Blackwell Publishing Ltd. All rights reserved.

Quasielastic reactions

International Nuclear Information System (INIS)

Henning, W.

1979-01-01

Quasielastic reaction studies, because of their capability to microscopically probe nuclear structure, are still of considerable interest in heavy-ion reactions. The recent progress in understanding various aspects of the reaction mechanism make this aim appear closer. The relation between microscopic and macroscopic behavior, as suggested, for example, by the single proton transfer data to individual final states or averaged excitation energy intervals, needs to be explored. It seems particularly useful to extend measurements to higher incident energies, to explore and understand nuclear structure aspects up to the limit of the energy range where they are important

Bray–Liebhafsky oscillatory reaction in the radiofrequency electromagnetic field

Energy Technology Data Exchange (ETDEWEB)

Stanisavljev, Dragomir R., E-mail: dragisa@ffh.bg.ac.rs [Faculty of Physical Chemistry, University of Belgrade, Studentski trg 12-16, P.O. Box 473, 11001 Belgrade (Serbia); Velikić, Zoran [Institute of Physics, University of Belgrade, Pregrevica 118, Zemun (Serbia); Veselinović, Dragan S.; Jacić, Nevena V.; Milenković, Maja C. [Faculty of Physical Chemistry, University of Belgrade, Studentski trg 12-16, P.O. Box 473, 11001 Belgrade (Serbia)

2014-09-30

Highlights: • Oscillatory Bray–Liebhafsky reaction is coupled with the radiofrequency radiation. • The effects of radiofrequency field on oscillatory parameters are investigated. • Radiofrequency power of up to the 0.2 W did not produced observable changes. • The explanation related with dissipative and capacitive effects is given. • Open the possibility of investigations of reactive effects on biological systems. - Abstract: Oscillatory Bray–Liebhafsky (BL) reaction is capacitively coupled with the electromagnetic radiation in the frequency range 60–110 MHz. Because of the specific reaction dynamics characterized by several characteristic parameters (induction period, period between chemical oscillations and their amplitude) it served as a good model system for the investigation of the effects of radiofrequent (RF) radiation. RF power of up to 0.2 W did not produce observable changes of the BL reaction parameters in the limit of the experiment reproductivity. Results indicate that, under the given experimental conditions, both dissipative and reactive properties of the solution are not considerably coupled with the RF electrical field.

Reactive scattering of H2 from Cu(100): comparison of dynamics calculations based on the specific reaction parameter approach to density functional theory with experiment.

Science.gov (United States)

Sementa, L; Wijzenbroek, M; van Kolck, B J; Somers, M F; Al-Halabi, A; Busnengo, H F; Olsen, R A; Kroes, G J; Rutkowski, M; Thewes, C; Kleimeier, N F; Zacharias, H

2013-01-28

We present new experimental and theoretical results for reactive scattering of dihydrogen from Cu(100). In the new experiments, the associative desorption of H(2) is studied in a velocity resolved and final rovibrational state selected manner, using time-of-flight techniques in combination with resonance-enhanced multi-photon ionization laser detection. Average desorption energies and rotational quadrupole alignment parameters were obtained in this way for a number of (v = 0, 1) rotational states, v being the vibrational quantum number. Results of quantum dynamics calculations based on a potential energy surface computed with a specific reaction parameter (SRP) density functional, which was derived earlier for dihydrogen interacting with Cu(111), are compared with the results of the new experiments and with the results of previous molecular beam experiments on sticking of H(2) and on rovibrationally elastic and inelastic scattering of H(2) and D(2) from Cu(100). The calculations use the Born-Oppenheimer and static surface approximations. With the functional derived semi-empirically for dihydrogen + Cu(111), a chemically accurate description is obtained of the molecular beam experiments on sticking of H(2) on Cu(100), and a highly accurate description is obtained of rovibrationally elastic and inelastic scattering of D(2) from Cu(100) and of the orientational dependence of the reaction of (v = 1, j = 2 - 4) H(2) on Cu(100). This suggests that a SRP density functional derived for H(2) interacting with a specific low index face of a metal will yield accurate results for H(2) reactively scattering from another low index face of the same metal, and that it may also yield accurate results for H(2) interacting with a defected (e.g., stepped) surface of that same metal, in a system of catalytic interest. However, the description that was obtained of the average desorption energies, of rovibrationally elastic and inelastic scattering of H(2) from Cu(100), and of the

Study of excitation energy dependence of nuclear level density parameter

International Nuclear Information System (INIS)

Mohanto, G.; Nayak, B.K.; Saxena, A.

2016-01-01

In the present study, we have populated CN by fusion reaction and excitation energy of the intermediate nuclei is determined after first chance α-emission to investigate excitation energy dependence of the NLD parameter. Evaporated neutron spectra were measured following alpha evaporation for obtaining NLD parameter for the reaction 11 B + 197 Au, populating CN 208 Po. This CN after evaporating an α-particle populates intermediate nucleus 204 Pb. The 204 Pb has magic number of Z=82. Our aim is to study the excitation energy dependence of NLD parameter for closed shell nuclei

Stability results for the parameter identification inverse problem in cardiac electrophysiology

Science.gov (United States)

Lassoued, Jamila; Mahjoub, Moncef; Zemzemi, Néjib

2016-11-01

In this paper we prove a stability estimate of the parameter identification problem in cardiac electrophysiology modeling. We use the monodomain model which is a reaction diffusion parabolic equation where the reaction term is obtained by solving an ordinary differential equation (ODE). We are interested in proving the stability of the identification of the parameter {τ }{in}, which is the parameter that multiplies the cubic term in the reaction term. The proof of the result is based on a new Carleman-type estimate for both partial differential equation (PDE) and ODE problems. As a consequence of the stability result we prove the uniqueness of the parameter {τ }{in} giving some observations of both state variables at a given time t 0 in the whole domain and in the PDE variable in a non empty open subset w 0 of the domain.

Maximum Likelihood Estimates of Parameters in Various Types of Distribution Fitted to Important Data Cases.

OpenAIRE

HIROSE,Hideo

1998-01-01

TYPES OF THE DISTRIBUTION:13;Normal distribution (2-parameter)13;Uniform distribution (2-parameter)13;Exponential distribution ( 2-parameter)13;Weibull distribution (2-parameter)13;Gumbel Distribution (2-parameter)13;Weibull/Frechet Distribution (3-parameter)13;Generalized extreme-value distribution (3-parameter)13;Gamma distribution (3-parameter)13;Extended Gamma distribution (3-parameter)13;Log-normal distribution (3-parameter)13;Extended Log-normal distribution (3-parameter)13;Generalized ...

Feshbach-Kerman-Koonin analysis of 93Nb reactions: P→Q transitions and reduced importance of multistep compound emission

International Nuclear Information System (INIS)

Chadwick, M.B.; Young, P.G.

1993-01-01

We have implemented multistep compound (MSC) and multistep direct (MSD) preequilibrium theories of Feshbach, Kerman, and Koonin (FKK) for the calculation of nucleon-induced reactions. Unlike most previous analyses, which have concentrated on just one of these multistep mechanisms, we consider both mechanisms as well as subsequent Hauser-Feshbach equilibrium emission, and describe the complete nucleon emission spectra and angular distributions quantum mechanically. We compare theoretical calculations of (n,n') and (n,p) reactions on 93 Nb at energies of 14, 20, and 25.7 MeV with experimental data. Our analysis suggests that the FKK theory should be modified to allow transitions from the MSD to MSC preequilibrium chains, and shows MSC processes to be less important than previously thought. We find that the MSD mechanism dominates preequilibrium emission even for incident neutron energies as low as 14 MeV. A model to account for preequilibrium flux cascading from the MSD to MSC chain is presented, and we check its validity with a least-squares fit to data which establishes the experimentally observed partitioning between MSD and MSC

Accurate label-free reaction kinetics determination using initial rate heat measurements

Science.gov (United States)

Ebrahimi, Kourosh Honarmand; Hagedoorn, Peter-Leon; Jacobs, Denise; Hagen, Wilfred R.

2015-01-01

Accurate label-free methods or assays to obtain the initial reaction rates have significant importance in fundamental studies of enzymes and in application-oriented high throughput screening of enzyme activity. Here we introduce a label-free approach for obtaining initial rates of enzyme activity from heat measurements, which we name initial rate calorimetry (IrCal). This approach is based on our new finding that the data recorded by isothermal titration calorimetry for the early stages of a reaction, which have been widely ignored, are correlated to the initial rates. Application of the IrCal approach to various enzymes led to accurate enzyme kinetics parameters as compared to spectroscopic methods and enabled enzyme kinetic studies with natural substrate, e.g. proteases with protein substrates. Because heat is a label-free property of almost all reactions, the IrCal approach holds promise in fundamental studies of various enzymes and in use of calorimetry for high throughput screening of enzyme activity. PMID:26574737

Application of Multi-Valued Weighting Logical Functions in the Analysis of a Degree of Importance of Construction Parameters on the Example of Hydraulic Valves

Science.gov (United States)

Deptuła, A.

2014-08-01

In the optimization process, changes in the construction parameters value influence the behaviour of functions depending on time. Weighting logical coefficients for the stabilisation time are taken into consideration here, i.e., a shorter (better) stabilisation time has a more important (bigger) value of the weighting coefficient. An example of applying weighting logical functions in the analysis of a degree of importance of construction parameters of a hydraulic valve is presented in the paper

Effects of process parameters on hydrothermal carbonization

Science.gov (United States)

Uddin, Md. Helal

In recent years there has been increased research activity in renewable energy, especially upgrading widely available lignicellulosic biomass, in a bid to counter the increasing environmental concerns related with the use of fossil fuels. Hydrothermal carbonization (HTC), also known as wet torrefaction or hot water pretreatment, is a process for pretreatment of diverse lignocellulosic biomass feedstocks, where biomass is treated under subcritical water conditions in short contact time to produce high-value products. The products of this process are: a solid mass characterized as biochar/biocoal/biocarbon, which is homogeneous, energy dense, and hydrophobic; a liquid stream composed of five and six carbon sugars, various organic acids, and 5-HMF; and a gaseous stream, mainly CO2. A number of process parameters are considered important for the extensive application of the HTC process. Primarily, reaction temperature determines the characteristics of the products. In the solid product, the oxygen carbon ratio decreases with increasing reaction temperature and as a result, HTC biochar has the similar characteristics to low rank coal. However, liquid and gaseous stream compositions are largely correlated with the residence time. Biomass particle size can also limit the reaction kinetics due to the mass transfer effect. Recycling of process water can help to minimize the utility consumption and reduce the waste treatment cost as a result of less environmental impact. Loblolly pine was treated in hot compressed water at 200 °C, 230 °C, and 260 °C with 5:1 water:biomass mass ratio to investigate the effects of process parameters on HTC. The solid product were characterized by their mass yields, higher heating values (HHV), and equilibrium moisture content (EMC), while the liquid were characterized by their total organic carbon content and pH value.

Study of incomplete fusion reaction dynamics in 13C +165 Ho system and its dependence on various entrance channel parameters

Science.gov (United States)

Tali, Suhail A.; Kumar, Harish; Ansari, M. Afzal; Ali, Asif; Singh, D.; Ali, Rahbar; Giri, Pankaj K.; Linda, Sneha B.; Parashari, Siddharth; Kumar, R.; Singh, R. P.; Muralithar, S.

2018-02-01

The excitation functions for the evaporation residues populated in the interaction of 13C +165 Ho system have been measured at projectile energies ≈ 4-7 MeV/nucleon. Stacked foil activation technique followed by off-line γ-ray spectroscopy have been employed in the present work. The experimentally measured cross-sections are analyzed in the frame work of statistical model code PACE4, which takes into account only the complete fusion reaction cross-sections. The evaporation residues populated via xn and pxn channels were found to be in good agreement with the PACE4 predictions, while a significant enhancement in the measured cross-sections over PACE4 predictions is observed in case of α-emitting channels, which may be attributed to the incomplete fusion process. For the better understanding of incomplete fusion dynamics, the incomplete fusion fraction has also been deduced and its sensitivity with various entrance channel parameters like: projectile energy, mass-asymmetry, projectile structure in terms of Qα-value and Coulomb effect has been studied in the present work. The incomplete fusion fraction is found to increase with increasing the projectile energy and a strong projectile structure dependent mass-asymmetry systematic is also observed. The incomplete fusion fraction is also found to be small for more negative Qα-value projectile (13C) induced reactions as compared to less negative Qα-value projectiles (12C, 16O and 20Ne) induced reactions with the same target nucleus 165Ho. An interesting trend is obtained on further investigation of incomplete fusion dependence on Coulomb effect (ZPZT).

The importance of consumption of the epidermis in malignant melanoma and correlation with clinicopathological prognostic parameters.

Science.gov (United States)

Seçkin, Selda; Ozgũn, Elmas

2011-01-01

The aim of the study was to investigate the importance of consumption of the epidermis as an additional diagnostic criteria for malignant melanoma and to evaluate its relationship to clinicopathological findings. The age, gender, localization of the lesion and the histopathological parameters such as tumor type, Breslow thickness, ulceration, Clark's level, mitosis/mm2, lymphocytic infiltration were noted in 40 malignant melanoma cases. Consumption of the epidermis was evaluated in tumor sections. Consumption of the epidermis (COE) due to thinning of the epidermis and loss of rete ridges was noted as (+) or (-). Furthermore, COE was compared with clinical and histopathological parameters. The Shapiro Wilk and Logistic Regression tests were used for statistical analysis. The results were accepted as significant if the p value was correlation was present between COE and head and neck localization (p = 0,698), superficial spreading melanoma (p = 0,341), ulceration (p = 0,097) and brisk lymphocytic infiltration (p = 0,200) but the results were not statistically significant. COE was frequently detected in males but the difference was not statistically significant (p = 0.796). There was no correlation or significant statistical association between COE and age, Breslow thickness, Clark's level or the mitotic index. The detection of COE in most of the patients suggests that COE could be a histopathological criterion in the diagnosis of malignant melanoma. The frequent association between COE and the presence of ulceration could also direct attention to COE as regards prognostic importance.

Key parameters controlling the performance of catalytic motors

Energy Technology Data Exchange (ETDEWEB)

Esplandiu, Maria J.; Afshar Farniya, Ali [Catalan Institute of Nanoscience and Nanotechnology (ICN2), CSIC and The Barcelona Institute of Science and Technology, Campus UAB, Bellaterra, 08193 Barcelona (Spain); Reguera, David, E-mail: dreguera@ub.edu [Departament de Física Fonamental, Universitat de Barcelona, C/Martí i Franquès 1, 08028 Barcelona (Spain)

2016-03-28

The development of autonomous micro/nanomotors driven by self-generated chemical gradients is a topic of high interest given their potential impact in medicine and environmental remediation. Although impressive functionalities of these devices have been demonstrated, a detailed understanding of the propulsion mechanism is still lacking. In this work, we perform a comprehensive numerical analysis of the key parameters governing the actuation of bimetallic catalytic micropumps. We show that the fluid motion is driven by self-generated electro-osmosis where the electric field originates by a proton current rather than by a lateral charge asymmetry inside the double layer. Hence, the surface potential and the electric field are the key parameters for setting the pumping strength and directionality. The proton flux that generates the electric field stems from the proton gradient induced by the electrochemical reactions taken place at the pump. Surprisingly the electric field and consequently the fluid flow are mainly controlled by the ionic strength and not by the conductivity of the solution, as one could have expected. We have also analyzed the influence of the chemical fuel concentration, electrochemical reaction rates, and size of the metallic structures for an optimized pump performance. Our findings cast light on the complex chemomechanical actuation of catalytic motors and provide important clues for the search, design, and optimization of novel catalytic actuators.

Reactions of stabilized Criegee Intermediates

Science.gov (United States)

Vereecken, Luc; Harder, Hartwig; Novelli, Anna

2014-05-01

Carbonyl oxides (Criegee intermediates) were proposed as key intermediates in the gas phase ozonolysis of alkenes in 1975 by Rudolf Criegee. Despite the importance of ozonolysis in atmospheric chemistry, direct observation of these intermediates remained elusive, with only indirect experimental evidence for their role in the oxidation of hydrocarbons, e.g. through scavenging experiments. Direct experimental observation of stabilized CI has only been achieved since 2008. Since then, a concerted effort using experimental and theoretical means is in motion to characterize the chemistry and kinetics of these reactive intermediates. We present the results of theoretical investigations of the chemistry of Criegee intermediates with a series of coreactants which may be of importance in the atmosphere, in experimental setups, or both. This includes the CI+CI cross-reaction, which proceeds with a rate coefficient near the collision limit and can be important in experimental conditions. The CI + alkene reactions show strong dependence of the rate coefficient depending on the coreactants, but is generally found to be rather slow. The CI + ozone reaction is sufficiently fast to occur both in experiment and the free troposphere, and acts as a sink for CI. The reaction of CI with hydroperoxides, ROOH, is complex, and leads both to the formation of oligomers, as to the formation of reactive etheroxides, with a moderately fast rate coefficient. The importance of these reactions is placed in the context of the reaction conditions in different atmospheric environments ranging from unpolluted to highly polluted.

Exchange Reactions. Proceedings of the Symposium on Exchange Reactions

International Nuclear Information System (INIS)

1965-01-01

The mechanisms and kinetics of chemical reactions are of great interest to chemists. The study of exchange reactions in particular helps to shed light on the dynamics of chemical change, providing an insight into the structures and the reactivities of the chemical species involved. The main theme of this meeting was the subject of oxidation-reduction reactions in which the net result is the transfer of one or more electrons between the different oxidation states of the same element. Other studies reported included the transfer of protons, atoms, complex ligands or organic radicals between molecules. Heterogeneous exchange, which is of importance in many cases of catalytic action, was also considered. For a long time isotopic tracers have formed the most convenient means of studying exchange reactions and today a considerable amount of work continues to be done with their aid. Consequently, several papers presented at this Symposium reported on work carried out by purely radiochemical tracer methods. In recognition, however, of the important role which nuclear magnetic resonance and electron spin resonance play in this field, in particular in the study of fast reactions, a number of reports on investigations in which these techniques had been used was included in the programme. By kind invitation of the United States Government the Symposium on Exchange Reactions was held from 31 May to 4 June at the Brookhaven National Laboratory, Upton, Long Island, N.Y., USA. It was attended by 46 participants from nine countries and one inter-governmental organization. The publication of these Proceedings makes the contents of the papers and the discussion available to a wider audience

A variational approach to parameter estimation in ordinary differential equations

Directory of Open Access Journals (Sweden)

Kaschek Daniel

2012-08-01

Full Text Available Abstract Background Ordinary differential equations are widely-used in the field of systems biology and chemical engineering to model chemical reaction networks. Numerous techniques have been developed to estimate parameters like rate constants, initial conditions or steady state concentrations from time-resolved data. In contrast to this countable set of parameters, the estimation of entire courses of network components corresponds to an innumerable set of parameters. Results The approach presented in this work is able to deal with course estimation for extrinsic system inputs or intrinsic reactants, both not being constrained by the reaction network itself. Our method is based on variational calculus which is carried out analytically to derive an augmented system of differential equations including the unconstrained components as ordinary state variables. Finally, conventional parameter estimation is applied to the augmented system resulting in a combined estimation of courses and parameters. Conclusions The combined estimation approach takes the uncertainty in input courses correctly into account. This leads to precise parameter estimates and correct confidence intervals. In particular this implies that small motifs of large reaction networks can be analysed independently of the rest. By the use of variational methods, elements from control theory and statistics are combined allowing for future transfer of methods between the two fields.

A variational approach to parameter estimation in ordinary differential equations.

Science.gov (United States)

Kaschek, Daniel; Timmer, Jens

2012-08-14

Ordinary differential equations are widely-used in the field of systems biology and chemical engineering to model chemical reaction networks. Numerous techniques have been developed to estimate parameters like rate constants, initial conditions or steady state concentrations from time-resolved data. In contrast to this countable set of parameters, the estimation of entire courses of network components corresponds to an innumerable set of parameters. The approach presented in this work is able to deal with course estimation for extrinsic system inputs or intrinsic reactants, both not being constrained by the reaction network itself. Our method is based on variational calculus which is carried out analytically to derive an augmented system of differential equations including the unconstrained components as ordinary state variables. Finally, conventional parameter estimation is applied to the augmented system resulting in a combined estimation of courses and parameters. The combined estimation approach takes the uncertainty in input courses correctly into account. This leads to precise parameter estimates and correct confidence intervals. In particular this implies that small motifs of large reaction networks can be analysed independently of the rest. By the use of variational methods, elements from control theory and statistics are combined allowing for future transfer of methods between the two fields.

Capillary density: An important parameter in nailfold capillaroscopy.

Science.gov (United States)

Emrani, Zahra; Karbalaie, Abdolamir; Fatemi, Alimohammad; Etehadtavakol, Mahnaz; Erlandsson, Björn-Erik

2017-01-01

Nailfold capillaroscopy is one of the various noninvasive bioengineering methods used to investigate skin microcirculation. It is an effective examination for assessing microvascular changes in the peripheral circulation; hence it has a significant role for the diagnosis of Systemic sclerosis with the classic changes of giant capillaries as well as the decline in capillary density with capillary dropout. The decline in capillary density is one of microangiopathic features existing in connective tissue disease. It is detectable with nailfold capillaroscopy. This parameter is assessed by applying quantitative measurement. In this article, we reviewed a common method for calculating the capillary density and the relation between the number of capillaries as well as the existence of digital ulcers, pulmonary arterial hypertension, autoantibodies, scleroderma patterns and different scoring system. Copyright © 2016 Elsevier Inc. All rights reserved.

Multi-shot analysis of the gamma reaction history diagnostic

International Nuclear Information System (INIS)

Sayre, D. B.; Bernstein, L. A.; Church, J. A.; Stoeffl, W.; Herrmann, H. W.

2012-01-01

The gamma reaction history diagnostic at the National Ignition Facility has the capability to determine a number of important performance metrics for cryogenic deuterium-tritium implosions: the fusion burn width, bang time and yield, as well as the areal density of the compressed ablator. Extracting those values from the measured γ rays of an implosion, requires accounting for a γ-ray background in addition to the impulse response function of the instrument. To address these complications, we have constructed a model of the γ-ray signal, and are developing a simultaneous multi-shot fitting routine to constrain its parameter space.

α -induced reactions on 115In: Cross section measurements and statistical model analysis

Science.gov (United States)

Kiss, G. G.; Szücs, T.; Mohr, P.; Török, Zs.; Huszánk, R.; Gyürky, Gy.; Fülöp, Zs.

2018-05-01

Background: α -nucleus optical potentials are basic ingredients of statistical model calculations used in nucleosynthesis simulations. While the nucleon+nucleus optical potential is fairly well known, for the α +nucleus optical potential several different parameter sets exist and large deviations, reaching sometimes even an order of magnitude, are found between the cross section predictions calculated using different parameter sets. Purpose: A measurement of the radiative α -capture and the α -induced reaction cross sections on the nucleus 115In at low energies allows a stringent test of statistical model predictions. Since experimental data are scarce in this mass region, this measurement can be an important input to test the global applicability of α +nucleus optical model potentials and further ingredients of the statistical model. Methods: The reaction cross sections were measured by means of the activation method. The produced activities were determined by off-line detection of the γ rays and characteristic x rays emitted during the electron capture decay of the produced Sb isotopes. The 115In(α ,γ )119Sb and 115In(α ,n )Sb118m reaction cross sections were measured between Ec .m .=8.83 and 15.58 MeV, and the 115In(α ,n )Sb118g reaction was studied between Ec .m .=11.10 and 15.58 MeV. The theoretical analysis was performed within the statistical model. Results: The simultaneous measurement of the (α ,γ ) and (α ,n ) cross sections allowed us to determine a best-fit combination of all parameters for the statistical model. The α +nucleus optical potential is identified as the most important input for the statistical model. The best fit is obtained for the new Atomki-V1 potential, and good reproduction of the experimental data is also achieved for the first version of the Demetriou potentials and the simple McFadden-Satchler potential. The nucleon optical potential, the γ -ray strength function, and the level density parametrization are also

The breakdown of vinyl ethers as a two-center synchronous reaction

Science.gov (United States)

Pokidova, T. S.; Shestakov, A. F.

2009-11-01

The experimental data on the molecular decomposition of vinyl ethers of various structures to alkanes and the corresponding aldehydes or ketones in the gas phase were analyzed using the method of intersecting parabolas. The enthalpies and kinetic parameters of decomposition were calculated for 17 reactions. The breakdown of ethers is a two-center concerted reaction characterized by a very high classical potential barrier to the thermally neutral reaction (180-190 kJ/mol). The kinetic parameters (activation energies and rate constants) of back reactions of the formation of vinyl ethers in the addition of aldehydes or ketones to alkanes were calculated using the method of intersecting parabolas. The factors that influenced the activation energy of the decomposition and formation of ethers were discussed. Quantum-chemical calculations of several vinyl ether decomposition reactions were performed. Ether formation reactions were compared with the formation of unsaturated alcohols as competitive reactions, which can occur in the interaction of carbonyl compounds with alkenes.

Influence of the reaction conditions on the enzyme catalyzed transesterification of castor oil: A possible step in biodiesel production.

Science.gov (United States)

Andrade, Thalles A; Errico, Massimiliano; Christensen, Knud V

2017-11-01

The identification of the influence of the reaction parameters is of paramount importance when defining a process design. In this work, non-edible castor oil was reacted with methanol to produce a possible component for biodiesel blends, using liquid enzymes as the catalyst. Temperature, alcohol-to-oil molar ratio, enzyme and added water contents were the reaction parameters evaluated in the transesterification reactions. The optimal conditions, giving the optimal final FAME yield and FFA content in the methyl ester-phase was identified. At 35°C, 6.0 methanol-to-oil molar ratio, 5wt% of enzyme and 5wt% of water contents, 94% of FAME yield and 6.1% of FFA in the final composition were obtained. The investigation was completed with the analysis of the component profiles, showing that at least 8h are necessary to reach a satisfactory FAME yield together with a minor FFA content. Copyright © 2017 Elsevier Ltd. All rights reserved.

Synthesis of biodiesel fuel from safflower oil using various reaction parameters.

Science.gov (United States)

Meka, Pavan Kumar; Tripathi, Vinay; Singh, R P

2006-01-01

Biodiesel fuel is gaining more and more importance because of the depletion and uncontrollable prices of fossil fuel resources. The use of vegetable oil and their derivatives as alternatives for diesel fuel is the best answer and as old as Diesel Engine. Chemically biodiesel fuel is the mono alkyl esters of fatty acids derived from renewable feed stocks like vegetable oils and animal fats. Safflower oil contains 75-80% of linoleic acid; the presence of this unsaturated fatty acid is useful in alleviating low temperature properties like pour point, cloud point and cold filter plugging point. In this paper we studied the effect of various parameters such as temperature, molar ratio (oil to alcohol), and concentration of catalyst on synthesis of biodiesel fuel from safflower oil. The better suitable conditions of 1:6 molar ratio (oil to alcohol), 60 degrees C temperature and catalyst concentration of 2% (by wt. of oil) were determined. The finally obtained biodiesel fuel was analyzed for fatty acid composition by GLC and some other properties such as flash point, specific gravity and acid value were also determined. From the results it was clear that the produced biodiesel fuel was with in the recommended standards of biodiesel fuel with 96.8% yield.

Precompound Reactions: Basic Concepts

International Nuclear Information System (INIS)

Weidenmueller, H. A.

2008-01-01

Because of the non-zero nuclear equilibration time, the compound-nucleus scattering model fails when the incident energy exceeds 10 or 20 MeV, and precompound reactions become important. Basic ideas used in the quantum-statistical approaches to these reactions are described

Impact parameter selected nuclear temperatures of hot nuclei from excited state populations for 40Ar+197Au reactions at E/A=25MeV

International Nuclear Information System (INIS)

Li Zuyu; He Zhiyong; Duan Limin; Jin Genming; Wu Heyu; Zhang Baoguo; Wen Wanxin; Qi Yujin; Luo Qingzheng; Dai Guangxi; Wang Hongwei

1997-01-01

Nuclear temperatures extracted from excited state populations were measured as a function of linear momentum transfer (LMT) for 40 Ar+ 197 Au reactions at 25MeV/nucleon. The emission temperatures increased slightly with increasing linear momentum transfer or decreasing impact parameter. Taking into account the corrections of detection efficiency and sequential feeding from higher-lying states, a temperature of T∼4MeV was deduced for central collisions. For peripheral collisions the extracted temperatures increased with the energy of the particles. (orig.)

Ion-Molecule Reaction Dynamics.

Science.gov (United States)

Meyer, Jennifer; Wester, Roland

2017-05-05

We review the recent advances in the investigation of the dynamics of ion-molecule reactions. During the past decade, the combination of single-collision experiments in crossed ion and neutral beams with the velocity map ion imaging detection technique has enabled a wealth of studies on ion-molecule reactions. These methods, in combination with chemical dynamics simulations, have uncovered new and unexpected reaction mechanisms, such as the roundabout mechanism and the subtle influence of the leaving group in anion-molecule nucleophilic substitution reactions. For this important class of reactions, as well as for many fundamental cation-molecule reactions, the information obtained with crossed-beam imaging is discussed. The first steps toward understanding micro-solvation of ion-molecule reaction dynamics are presented. We conclude with the presentation of several interesting directions for future research.

Recent developments in heavy-ion fusion reactions around the Coulomb barrier

Directory of Open Access Journals (Sweden)

Hagino K.

2016-01-01

Full Text Available The nuclear fusion is a reaction to form a compound nucleus. It plays an important role in several circumstances in nuclear physics as well as in nuclear astrophysics, such as synthesis of superheavy elements and nucleosynthesis in stars. Here we discuss two recent theoretical developments in heavy-ion fusion reactions at energies around the Coulomb barrier. The first topic is a generalization of the Wong formula for fusion cross sections in a single-channel problem. By introducing an energy dependence to the barrier parameters, we show that the generalized formula leads to results practically indistinguishable from a full quantal calculation, even for light symmetric systems such as 12C+12C, for which fusion cross sections show an oscillatory behavior. We then discuss a semi-microscopic modeling of heavy-ion fusion reactions, which combine the coupled-channels approach to the state-of-the-art nuclear structure calculations for low-lying collective motions. We apply this method to subbarrier fusion reactions of 58Ni+58Ni and 40Ca+58Ni systems, and discuss the role of anharmonicity of the low-lying vibrational motions.

Quantitative analysis of skin reaction by reflectance spectrophotometer. Acute reaction following proton therapy

International Nuclear Information System (INIS)

Kawashima, Mitsuhiko; Okumura, Toshiyuki; Tatsuzaki, Hideo; Tsuji, Hiroshi; Tsujii, Hirohiko.

1994-01-01

Acute reactions induced by proton irradiation were measured using a reflectance spectrophotometer, which is commonly used in the printing and textile industries. In this method, the skin color was expressed by three parameters, lightness (L * ), chroma (C * ) and hue (h). At first, in order to evaluate the accuracy of this spectrophotometer, the skin color of a normal volunteer was measured 100 times. The values of the three parameters for normal skin were as follows (mean values and standard deviation), L * : 68.64±0.29, C * : 19.08±0.13, h: 69.41±0.76. The standard deviations with regard to L * and h, were considered to be sufficiently small when compared with the changes of these parameters (prefix: Δ) in the irradiated sites (ΔL * * and h values significantly decreased with time, and the L * values were highly correlated with elapsed treatment days. The h values had a relatively low linear correlation compared with L * . The C * values had no trends as the treatment period was extended. Among these parameters, the L * values were the most valuable for assessment of proton-induced skin reactions, and it was suggested that the L * values measured with this spectrophotometer were a useful index for showing biological effects induced by proton irradiation. Further experiments are needed to apply this method to quantify the biological effects induced by other forms of ionizing radiation. (author)

Parametric sensitivity analysis for biochemical reaction networks based on pathwise information theory.

Science.gov (United States)

Pantazis, Yannis; Katsoulakis, Markos A; Vlachos, Dionisios G

2013-10-22

Stochastic modeling and simulation provide powerful predictive methods for the intrinsic understanding of fundamental mechanisms in complex biochemical networks. Typically, such mathematical models involve networks of coupled jump stochastic processes with a large number of parameters that need to be suitably calibrated against experimental data. In this direction, the parameter sensitivity analysis of reaction networks is an essential mathematical and computational tool, yielding information regarding the robustness and the identifiability of model parameters. However, existing sensitivity analysis approaches such as variants of the finite difference method can have an overwhelming computational cost in models with a high-dimensional parameter space. We develop a sensitivity analysis methodology suitable for complex stochastic reaction networks with a large number of parameters. The proposed approach is based on Information Theory methods and relies on the quantification of information loss due to parameter perturbations between time-series distributions. For this reason, we need to work on path-space, i.e., the set consisting of all stochastic trajectories, hence the proposed approach is referred to as "pathwise". The pathwise sensitivity analysis method is realized by employing the rigorously-derived Relative Entropy Rate, which is directly computable from the propensity functions. A key aspect of the method is that an associated pathwise Fisher Information Matrix (FIM) is defined, which in turn constitutes a gradient-free approach to quantifying parameter sensitivities. The structure of the FIM turns out to be block-diagonal, revealing hidden parameter dependencies and sensitivities in reaction networks. As a gradient-free method, the proposed sensitivity analysis provides a significant advantage when dealing with complex stochastic systems with a large number of parameters. In addition, the knowledge of the structure of the FIM can allow to efficiently address

A real-time polymerase chain reaction method for the identification of four commercially important salmon and trout species.

Science.gov (United States)

Feng, Junli; Wu, Zhigang; Xie, Xiao; Dai, Zhiyuan; Liu, Shasha

2017-01-01

A duplex quantitative real-time PCR (qPCR) assay was developed for rapid and accurate identification of four commercially important salmon and trout species (Oncorhynchus keta, Oncorhynchus nerka, Oncorhynchus mykiss, and Salmo salar) commonly used for production process of fish in China. The assays targeting the mitochondrial control region (CR) and 16S rRNA gene were able to simultaneously discriminate four target species and the family Salmonidae from processed as well as fresh fish. The qPCR efficiency of each reaction was calculated according to the standard curve, and the method was validated by amplification DNA extracted from single or artificial mixtures prepared with the reference salmon and trout species. Testing of 11 commercial salmon and trout products by the established qPCR assay demonstrated that it was really a useful and academic technique to identify four commercially important salmon and trout species.

On-line use of personal computers to monitor and evaluate important parameters in the research reactor DHRUVA

International Nuclear Information System (INIS)

Sharma, S.K.; Sengupta, S.N.; Darbhe, M.D.; Agarwal, S.K.

1998-01-01

The on-line use of Personal Computers in research reactors, with custom made applications for aiding the operators in analysing plant conditions under normal and abnormal situations, has become extremely popular. A system has been developed to monitor and evaluate important parameters for the research reactor DHRUVA, a 100 MW research reactor located at the Bhabha Atomic Research Centre, Trombay. The system was essentially designed for on-line computation of the following parameters: reactor thermal power, reactivity load due to Xenon, core reactivity balance and performance monitoring of shut-down devices. Apart from the on-line applications, the system has also been developed to cater some off-line applications with Local Area Network in the Dhruva complex. The microprocessor based system is designed to function as an independent unit, parallel dumping the acquired data to a PC for application programmes. The user interface on the personal computer is menu driven application software written in 'C' language. The main input parameters required for carrying out the options given in the above menu are: Reactor power, Moderator level, Coolant inlet temperature to the core, Secondary coolant flow rate, temperature rise of secondary coolant across the heat exchangers, heavy water level in the Dump tank and Drop time of individual shut off rods. (author)

Electron transfer reactions of metal complexes in solution

International Nuclear Information System (INIS)

Sutin, N.

1977-01-01

A few representative electron-transfer reactions are selected and their kinetic parameters compared with the predictions of activated complex models. Since Taube has presented an elegant treatment of intramolecular electron-transfer reactions, emphasis is on bimolecular reactions. The latter electron-transfer reactions are more complicated to treat theoretically since the geometries of their activated complexes are not as well known as for the intramolecular case. In addition in biomolecular reactions, the work required to bring the two reactants together needs to be calculated. Since both reactants generally carry charges this presents a non-trivial problem at the ionic strengths usually used to study bimolecular electron transfer

GA BASED GLOBAL OPTIMAL DESIGN PARAMETERS FOR ...

African Journals Online (AJOL)

Journal of Modeling, Design and Management of Engineering Systems ... DESIGN PARAMETERS FOR CONSECUTIVE REACTIONS IN SERIALLY CONNECTED ... for the process equipments such as chemical reactors used in industries.

The Nernst equation applied to oxidation-reduction reactions in myoglobin and hemoglobin. Evaluation of the parameters.

Science.gov (United States)

Saroff, Harry A

Analyses of the binding of oxygen to monomers such as myoglobin employ the Mass Action equation. The Mass Action equation, as such, is not directly applicable for the analysis of the binding of oxygen to oligomers such as hemoglobin. When the binding of oxygen to hemoglobin is analyzed, models incorporating extensions of mass action are employed. Oxidation-reduction reactions of the heme group in myoglobin and hemoglobin involve the binding and dissociation of electrons. This reaction is described with the Nernst equation. The Nernst equation is applicable only to a monomeric species even if the number of electrons involved is greater than unity. To analyze the oxidation-reduction reaction in a molecule such as hemoglobin a model is required which incorporates extensions of the Nernst equation. This communication develops models employing the Nernst equation for oxidation-reduction reactions analogous to those employed for hemoglobin in the analysis of the oxygenation (binding of oxygen) reaction.

Homogeneous-heterogeneous reactions in curved channel with porous medium

Science.gov (United States)

Hayat, T.; Ayub, Sadia; Alsaedi, A.

2018-06-01

Purpose of the present investigation is to examine the peristaltic flow through porous medium in a curved conduit. Problem is modeled for incompressible electrically conducting Ellis fluid. Influence of porous medium is tackled via modified Darcy's law. The considered model utilizes homogeneous-heterogeneous reactions with equal diffusivities for reactant and autocatalysis. Constitutive equations are formulated in the presence of viscous dissipation. Channel walls are compliant in nature. Governing equations are modeled and simplified under the assumptions of small Reynolds number and large wavelength. Graphical results for velocity, temperature, heat transfer coefficient and homogeneous-heterogeneous reaction parameters are examined for the emerging parameters entering into the problem. Results reveal an activation in both homogenous-heterogenous reaction effect and heat transfer rate with increasing curvature of the channel.

Numerical solution of a reaction-diffusion equation

International Nuclear Information System (INIS)

Moyano, Edgardo A.; Scarpettini, Alberto F.

2000-01-01

The purpose of the present work to continue the observations and the numerical experiences on a reaction-diffusion model, that is a simplified form of the neutronic flux equation. The model is parabolic, nonlinear, with Dirichlet boundary conditions. The purpose is to approximate non trivial solutions, asymptotically stables for t → ∞, that is solutions that tend to the elliptic problem, in the Lyapunov sense. It belongs to the so-called reaction-diffusion equations of semi linear kind, that is, linear equations in the heat operator and they have a nonlinear reaction function, in this case f (u, a, b) = u (a - b u), being u concentration, a and b parameters. The study of the incidence of these parameters take an interest to the neutronic flux physics. So that we search non trivial, positive and bounded solutions. The used algorithm is based on the concept of monotone and ordered sequences, and on the existence theorem of Amann and Sattinger. (author)

Reaction mechanism and reaction coordinates from the viewpoint of energy flow

Energy Technology Data Exchange (ETDEWEB)

Li, Wenjin; Ma, Ao, E-mail: aoma@uic.edu [Department of Bioengineering, The University of Illinois at Chicago, 851 South Morgan Street, Chicago, Illinois 60607 (United States)

2016-03-21

Reaction coordinates are of central importance for correct understanding of reaction dynamics in complex systems, but their counter-intuitive nature made it a daunting challenge to identify them. Starting from an energetic view of a reaction process as stochastic energy flows biased towards preferred channels, which we deemed the reaction coordinates, we developed a rigorous scheme for decomposing energy changes of a system, both potential and kinetic, into pairwise components. The pairwise energy flows between different coordinates provide a concrete statistical mechanical language for depicting reaction mechanisms. Application of this scheme to the C{sub 7eq} → C{sub 7ax} transition of the alanine dipeptide in vacuum revealed novel and intriguing mechanisms that eluded previous investigations of this well studied prototype system for biomolecular conformational dynamics. Using a cost function developed from the energy decomposition components by proper averaging over the transition path ensemble, we were able to identify signatures of the reaction coordinates of this system without requiring any input from human intuition.

Reaction mechanism and reaction coordinates from the viewpoint of energy flow

International Nuclear Information System (INIS)

Li, Wenjin; Ma, Ao

2016-01-01

Reaction coordinates are of central importance for correct understanding of reaction dynamics in complex systems, but their counter-intuitive nature made it a daunting challenge to identify them. Starting from an energetic view of a reaction process as stochastic energy flows biased towards preferred channels, which we deemed the reaction coordinates, we developed a rigorous scheme for decomposing energy changes of a system, both potential and kinetic, into pairwise components. The pairwise energy flows between different coordinates provide a concrete statistical mechanical language for depicting reaction mechanisms. Application of this scheme to the C 7eq → C 7ax transition of the alanine dipeptide in vacuum revealed novel and intriguing mechanisms that eluded previous investigations of this well studied prototype system for biomolecular conformational dynamics. Using a cost function developed from the energy decomposition components by proper averaging over the transition path ensemble, we were able to identify signatures of the reaction coordinates of this system without requiring any input from human intuition.

Nuclear Astrophysics and Neutron Induced Reactions: Quasi-Free Reactions and RIBs

International Nuclear Information System (INIS)

Cherubini, S.; Spitaleri, C.; Crucilla, V.; Gulino, M.; La Cognata, M.; Lamia, L.; Pizzone, R. G.; Puglia, S.; Rapisarda, G. G.; Romano, S.; Sergi, M. L.; Coc, A.; Kubono, S.; Binh, D. N.; Hayakawa, S.; Wakabayashi, Y.; Yamaguchi, H.; Burjan, V.; Kroha, V.; De Sereville, N.

2010-01-01

The use of quasi-free reactions in studying nuclear reactions between charged particles of astrophysical interest has received much attention over the last two decades. The Trojan Horse Method is based on this approach and it has been used to study a number of reactions relevant for Nuclear Astrophysics. Recently we applied this method to the study of nuclear reactions that involve radioactive species, namely to the study of the 18 F+p→ 15 O+α process at temperatures corresponding to the energies available in the classical novae scenario. Quasi-free reactions can also be exploited to study processes induced by neutrons. This technique is particularly interesting when applied to reaction induced by neutrons on unstable short-lived nuclei. Such processes are very important in the nucleosynthesis of elements in the sand r-processes scenarios and this technique can give hints for solving key questions in nuclear astrophysics where direct measurements are practically impossible.

Isotope effect and deuterium excess parameter revolution in ice and snow melt

International Nuclear Information System (INIS)

Yin Guan; Ni Shijun; Fan Xiao; Wu Hao

2003-01-01

The change of water isotope composition actually is a integrated reaction depending on the change of environment. The ice and snow melt of different seasons in high mountain can obviously influence the change of isotope composition and deuterium excess parameter of surface flow and shallow groundwater. To know the isotopic fractionation caused by this special natural background, explore its forming and evolvement, is unusually important for estimating, the relationship between the environment, climate and water resources in an area. Taking the example of isotope composition of surface flow and shallow groundwater in Daocheng, Sichuan, this paper mainly introduced the changing law of isotope composition and deuterium excess parameter of surface flow and hot-spring on conditions of ice and snow melt with different seasons in high mountain; emphatically discussed the isotope effect and deuterium excess parameter revolution in the process of ice and snow melting and its reason. (authors)

Laser Kinetic Spectroscopic Studies of (a) The Unimolecular Reactions of Nitroalkanes and, (b) Elementary Reactions Important in Combustion.

Science.gov (United States)

1981-08-31

4, and F. Reislor and C. Wittig, J. Che.:,. Phys. 69 (1978) 3729. 17. G. flerzborg, Molecular Spectra andri3 Iolcul ’r StrulCt e, Vol-. 1, Spe~ctra... emision from reaction (1) vs 02 pressure. C2 1" was gencr~ted by : C2 HCHO photolysis at 193 nm; /k C2! 2 photo~ysis at 193 ni; [J C2 fBr photolysis at

Neutron-induced reactions relevant for Inertial-Cofinement Fusion Experiments

Science.gov (United States)

Boswell, Melissa; Devlin, Mathew; Fotiadis, Nikolaos; Merrill, Frank; Nelson, Ronald; Tonchev, Anton

2014-09-01

The typical ignition experiment at the National Ignition Facility ablatively implodes a plastic capsule filled with DT fuel, generating a high flux of 14-MeV neutrons from the d(t,n) α reaction. There is some spread in the energy of these primary 14-MeV neutrons, which is mainly attributable to Doppler shifting from the relative thermal motion of the burning DT fuel. Neutrons created during this reaction have 5--10% chance of scattering before escaping the fuel assembly, losing some fraction of their energy in the scattering process. Neutrons emerging with an energy greater than the reaction energy are generated by a two-step process where neutrons first transfer momentum to a deuteron or tritium ion, these enhanced energy ions then fuse in flight to produce higher energy neutrons; some of these neutrons have energies in excess of 30 MeV. Measuring the fluencies of both the low- and high-energy neutrons is a powerful mechanism for studying the properties of the fuel assembly, and the various parameters important to inertial confinement fusion. We have developed a number of tools to measure the spectral characteristics of the NIF neutron spectrum. Most of these methods rely on exploiting the energy dependence of (n, γ), (n,2n), (n,3n) and (n,p) reactions on a variety o.

A Diels-Alder Reaction Conducted Within the Parameters of Aqueous Organocatalysis: Still Just Smoke and Mirrors

Science.gov (United States)

Stowe, G. Neil

2010-01-01

Conducting reactions using water as solvent is a highly prized goal for the organic chemist. Based upon recent literature and our continuing interest in the field of aqueous organocatalysis, we tested the scope of an enamine based Diels-Alder reaction using (±)-nornicotine, proline and a proline derivative as aqueous organocatalysts. Unfortunately, none of the examined catalysts under aqueous conditions proved useful, leaving the aqueous Diels-Alder reaction as an elusive goal. PMID:21516231

Experimental and numerical reaction analysis on sodium-water chemical reaction field

International Nuclear Information System (INIS)

Deguchi, Yoshihiro; Takata, Takashi; Yamaguchi, Akira; Kikuchi, Shin; Ohshima, Hiroyuki

2015-01-01

In a sodium-cooled fast reactor (SFR), liquid sodium is used as a heat transfer fluid because of its excellent heat transport capability. On the other hand, it has strong chemical reactivity with water vapor. One of the design basis accidents of the SFR is the water leakage into the liquid sodium flow by a breach of heat transfer tubes. This process ends up damages on the heat transport equipment in the SFR. Therefore, the study on sodium-water chemical reactions is of paramount importance for security reasons. This study aims to clarify the sodium-water reaction mechanisms using an elementary reaction analysis. A quasi one-dimensional flame model is applied to a sodium-water counter-flow reaction field. The analysis contains 25 elementary reactions, which consist of 17 H_2-O_2 and 8 Na-H_2O reactions. Temperature and species concentrations in the counter-flow reaction field were measured using laser diagnostics such as LIF and CARS. The main reaction in the experimental conditions is Na+H_2O → NaOH+H and OH is produced by H_2O+H → H_2+OH. It is demonstrated that the reaction model in this study well explains the structure of the sodium-water counter-flow diffusion flame. (author)

Microdosimetric concepts for indirect radiation reactions

International Nuclear Information System (INIS)

Pohlit, W.

1976-01-01

It is the aim of microdosimetric models to get information about the influence of microscopic energy deposition by radiation on radiation reactions. Two parameters are always of interest: the energy necessary to produce a certain reaction and the volume in which this energy has to be desposited. In the simple case of an aqueous solution with point targets a complete description of radiation reactions in targets with various concentrations can be given. This model takes into consideration the distinct energy deposition on the particle track, diffusion of radicals and a mean energy necessary for a certain reaction at the target. Typical dose effect curves are obtained which allow the determination of all these quantities from experiments. The model has been tested with the oxydation of iron atoms in aqueous solutions and has been applied for more complex targets such as different alcohols and amino acids. The oxygen consumption in these reactions is used as an easy method for continuous measurement of these indirect reactions. It is the aim of such experiments to get enough quantitative microscopic data on indirect radiation reactions that these reactions can also be followed in living cells

Study of the 28Si(16O,20Ne)24Mg reaction

International Nuclear Information System (INIS)

Portezan Filho, O.

1988-01-01

In this work, measurements of elastic and inelastic angular distributions in the system 16 O+ 20 Si and in the alpha transfer reactions 20 Si( 16 O, 20 Ne) 24 Mg were made in the angular range of 20 0 0 and the transfer reaction 20 Si( 16 O, 12 C) 32 S in the angular range 16 0 0 at the energy of E cm = 31.57 MeV. Optical potential parameters and β 2 deformation parameters as well as spectroscopic factors were determined for the alpha transfer reactions. (A.C.A.S.) [pt

Measurements of differential cross sections and polarization parameters for the π-p →π0n reactions from 1.8 GeV/c to 3.0 GeV/c

International Nuclear Information System (INIS)

Hemmi, Yasuo

1977-01-01

Experimental study has just begun at KEK (Japan) to measure the differential cross section and the polarization parameter for the π - p→π 0 n reaction from 1.8 GeV/c to 3.0 GeV/c. This lecture note describes on the purpose and the method of the measurement. The schematic diagram of the experimental arrangement for the π - p→π 0 n reaction measurement is given. For the detection of neutrons, plastic scintillation counter hodoscopes were used. For the detection of electrons, lead glass Cherenkov counters were used. Some preliminary results of the experiment and the efficiency of detection are presented. (Aoki, K.)

Analysis of Brownian Dynamics Simulations of Reversible Bimolecular Reactions

KAUST Repository

Lipková, Jana

2011-01-01

A class of Brownian dynamics algorithms for stochastic reaction-diffusion models which include reversible bimolecular reactions is presented and analyzed. The method is a generalization of the λ-bcȳ model for irreversible bimolecular reactions which was introduced in [R. Erban and S. J. Chapman, Phys. Biol., 6(2009), 046001]. The formulae relating the experimentally measurable quantities (reaction rate constants and diffusion constants) with the algorithm parameters are derived. The probability of geminate recombination is also investigated. © 2011 Society for Industrial and Applied Mathematics.

Semi empirical model for astrophysical nuclear fusion reactions of 1≤Z≤15

International Nuclear Information System (INIS)

Manjunatha, H.C.; Seenappa, L.; Sridhar, K.N.

2017-01-01

The fusion reaction is one of the most important reactions in the stellar evolution. Due to the complicated reaction mechanism of fusion, there is great uncertainty in the reaction rate which limits our understanding of various stellar objects. Low z elements are formed through many fusion reactions such as "4He+"1"2C→"1"6O, "1"2C+"1"2C→"2"0Ne+"4He, "1"2C+"1"2C→"2"3Na, "1"2C+"1"2C→"2"3Mg, "1"6O+"1"6O→"2"8Si+"4He, "1"2C+"1H→"1"3N and "1"3C+"4He→"1"6O. A detail study is required on Coulomb and nuclear interaction in formation of low Z elements in stars through fusion reactions. For astrophysics, the important energy range extends from 1 MeV to 3 MeV in the center of mass frame, which is only partially covered by experiments. In the present work, we have studied the basic fusion parameters such as barrier heights (V_B), positions (R_B), curvature of the inverted parabola (ħω_1) for fusion barrier, cross section and compound nucleus formation probability (P_C_N) and fusion process in the low Z element (1≤Z≤15) formation process. For each isotope, we have studied all possible projectile-target combinations. We have also studied the astrophysical S(E) factor for these reactions. Based on this study, we have formulated the semi empirical relations for barrier heights (V_B), positions (R_B), curvature of the inverted parabola and hence for the fusion cross section and astrophysical S(E) factor. The values produced by the present model compared with the experiments and data available in the literature. (author)

In-pile study of the reaction between breeder fuel and sodium

International Nuclear Information System (INIS)

Hugot, J.P.

1982-10-01

Studies carried out until now show that the determinant parameter of fuel can failure evolution is the development of the reaction between mixed uranium and plutonium dioxide and sodium. The parameters of the reaction are presented from results of an out of pile study, as also results obtained from examination on pins failed in reactors. The best way to study in pile the development of the reaction was to irradiate at a constant power a fuel pin containing sodium. In the experiment, the pin was equipped with a central thermocouple. It shows, that the reaction is developing intergranularly, from cracks and interpellet spaces, in an internal fringe of the fuel before spreading to the periphery. An overheating of the pin is associated to the development of the reaction as also a modification of the fuel pin geometry and a reduction of the oxide [fr

Safer operating conditions and optimal scaling-up process for cyclohexanone peroxide reaction

International Nuclear Information System (INIS)

Zang, Na; Qian, Xin-Ming; Liu, Zhen-Yi; Shu, Chi-Min

2015-01-01

Highlights: • Thermal hazard of cyclohexanone peroxide reaction was measured by experimental techniques. • Levenberg–Marquardt algorithm was adopted to evaluate kinetic parameters. • Safer operating conditions at laboratory scale were acquired by BDs and TDs. • The verified safer operating conditions were used to obtain the optimal scale-up parameters applied in industrial plants. - Abstract: The cyclohexanone peroxide reaction process, one of the eighteen hazardous chemical processes identified in China, is performed in indirectly cooled semibatch reactors. The peroxide reaction is added to a mixture of hydrogen peroxide and nitric acid, which form heterogeneous liquid–liquid systems. A simple and general procedure for building boundary and temperature diagrams of peroxide process is given here to account for the overall kinetic expressions. Such a procedure has been validated by comparison with experimental data. Thermally safer operating parameters were obtained at laboratory scale, and the scaled-up procedure was performed to give the minimum dosing time in an industrial plant, which is in favor of maximizing industrial reactor productivity. The results are of great significance for governing the peroxide reaction process apart from the thermal runaway region. It also greatly aids in determining optimization on operating parameters in industrial plants.

Transfer and breakup reactions at intermediate energies

International Nuclear Information System (INIS)

Stokstad, R.G.

1986-04-01

The origin of the quasi-elastic peak in peripheral heavy-ion reactions is discussed in terms of inelastic scattering and transfer reactions to unbound states of the primary projectile-like fragment. The situation is analogous to the use of reverse kinematics in fusion reactions, a technique in which the object of study is moving with nearly the beam velocity. It appears that several important features of the quasi-elastic peak may be explained by this approach. Projectile-breakup reactions have attractive features for the study of nuclear structure. They may also be used to determine the partition of excitation energy in peripheral reactions. At intermediate energies, neutron-pickup reactions leading to four-body final states become important. Examples of experiments are presented that illustrate these points. 15 refs., 14 figs

Sensitive and specific identification by polymerase chain reaction of Eimeria tenella and Eimeria maxima, important protozoan pathogens in laboratory avian facilities.

Science.gov (United States)

Lee, Hyun-A; Hong, Sunhwa; Chung, Yungho; Kim, Okjin

2011-09-01

Eimeria tenella and Eimeria maxima are important pathogens causing intracellular protozoa infections in laboratory avian animals and are known to affect experimental results obtained from contaminated animals. This study aimed to find a fast, sensitive, and efficient protocol for the molecular identification of E. tenella and E. maxima in experimental samples using chickens as laboratory avian animals. DNA was extracted from fecal samples collected from chickens and polymerase chain reaction (PCR) analysis was employed to detect E. tenella and E. maxima from the extracted DNA. The target nucleic acid fragments were specifically amplified by PCR. Feces secreting E. tenella and E. maxima were detected by a positive PCR reaction. In this study, we were able to successfully detect E. tenella and E. maxima using the molecular diagnostic method of PCR. As such, we recommended PCR for monitoring E. tenella and E. maxima in laboratory avian facilities.

Applications of Reaction Rate

Science.gov (United States)

Cunningham, Kevin

2007-01-01

This article presents an assignment in which students are to research and report on a chemical reaction whose increased or decreased rate is of practical importance. Specifically, students are asked to represent the reaction they have chosen with an acceptable chemical equation, identify a factor that influences its rate and explain how and why it…

Laboratory testing of waste glass aqueous corrosion; effects of experimental parameters

International Nuclear Information System (INIS)

Ebert, W.L.; Mazer, J.J.

1993-01-01

A literature survey has been performed to assess the effects of the temperature, glass surface area/leachate volume ratio, leachant composition, leachant flow rate, and glass composition (actual radioactive vs. simulated glass) used in laboratory tests on the measured glass reaction rate. The effects of these parameters must be accounted for in mechanistic models used to project glass durability over long times. Test parameters can also be utilized to highlight particular processes in laboratory tests. Waste glass corrosion results as water diffusion, ion-exchange, and hydrolysis reactions occur simultaneously to devitrify the glass and release soluble glass components into solution. The rates of these processes are interrelated by the affects of the solution chemistry and glass alteration phases on each process, and the dominant (fastest) process may change as the reaction progresses. Transport of components from the release sites into solution may also affect the observed corrosion rate. The reaction temperature will affect the rate of each process, while other parameters will affect the solution chemistry and which processes are observed during the test. The early stages of corrosion will be observed under test conditions which maintain dilute leachates and the later stages will be observed under conditions that generate more concentrated leachate solutions. Typically, water diffusion and ion-exchange reactions dominate the observed glass corrosion in dilute solutions while hydrolysis reactions dominant in more concentrated solutions. Which process(es) controls the long-term glass corrosion is not fully understood, and the long-term corrosion rate may be either transport- or reaction-limited

Impact of chemical reaction in fully developed radiated mixed convective flow between two rotating disk

Science.gov (United States)

Hayat, T.; Khan, M. Waleed Ahmed; Khan, M. Ijaz; Waqas, M.; Alsaedi, A.

2018-06-01

Flow of magnetohydrodynamic (MHD) viscous fluid between two rotating disks is modeled. Angular velocities of two disks are different. Flow is investigated for nonlinear mixed convection. Heat transfer is analyzed for nonlinear thermal radiation and heat generation/absorption. Chemical reaction is also implemented. Convective conditions of heat and mass transfer are studied. Transformations used lead to reduction of PDEs into the ODEs. The impacts of important physical variables like Prandtl number, Reynold number, Hartman number, mixed convection parameter, chemical reaction and Schmidt number on velocities, temperature and concentration are elaborated. In addition velocity and temperature gradients are physically interpreted. Our obtained results indicate that radial, axial and tangential velocities decrease for higher estimation of Hartman number.

Identifying important parameters for a continuous bioscouring process

NARCIS (Netherlands)

Lenting, H.B.M.; Lenting, H.B.M.; Zwier, E.; Nierstrasz, Vincent

2002-01-01

Compared to a bioscouring process in the batch mode, a continuously operating process requires relatively short processing steps. This study focusses on minimizing the required enzymatic incubation time. It is clear that the presence of a sufficient level of surfactant is of major importance in

Sensitivity of fusion and quasi-elastic barrier distributions of {sub 16}O+{sub 144}Sm reaction on the coupling radius parameter

Energy Technology Data Exchange (ETDEWEB)

Zamrun, Muhammad; Usman, Ida; Variani, Viska Inda [Department of Physics, Haluoleo University, Kendari, Sulawesi Tengagra, 93232 (Indonesia); Kassim, Hasan Abu [Department of Physics, University of Malaya, 50603 Kuala Lumpur (Malaysia)

2014-03-05

We study the heavy-ion collision at sub-barrier energies of {sub 16}O+{sub 144}Sm system using full order coupled-channels formalism. We especially investigate the sensitivity of fusion and quasi-elastic barrier distributions for this system on the coupling radius parameter. We found that the coupled-channels calculations of the fusion and the quasi-elastic barrier distributions are sensitive to the coupling radius for this reaction in contrast to the fusion and quasi-elastic cross section. Our study indicates that the larger coupling radius, i.e., r{sub coup}=1.20, is required by the experimental quasi-elastic barrier distribution. However, the experimental fusion barrier distribution compulsory the small value, i.e., r{sub coup}=1.06.

Prediction of changes in important physical parameters during composting of separated animal slurry solid fractions

DEFF Research Database (Denmark)

Chowdhury, Md Albarune; de Neergaard, Andreas; Jensen, Lars Stoumann

2014-01-01

Solid-liquid separation of animal slurry, with solid fractions used for composting, has gained interest recently. However, efficient composting of separated animal slurry solid fractions (SSFs) requires a better understanding of the process dynamics in terms of important physical parameters...... and their interacting physical relationships in the composting matrix. Here we monitored moisture content, bulk density, particle density and air-filled porosity (AFP) during composting of SSF collected from four commercially available solid-liquid separators. Composting was performed in laboratory-scale reactors...... for 30 days (d) under forced aeration and measurements were conducted on the solid samples at the beginning of composting and at 10-d intervals during composting. The results suggest that differences in initial physical properties of SSF influence the development of compost maximum temperatures (40...

Molecular beam studies of reaction dynamics

International Nuclear Information System (INIS)

Lee, Yuan T.

1991-03-01

The major thrust of this research project is to elucidate detailed dynamics of simple elementary reactions that are theoretically important and to unravel the mechanism of complex chemical reactions or photochemical processes that play important roles in many macroscopic processes. Molecular beams of reactants are used to study individual reactive encounters between molecules or to monitor photodissociation events in a collision-free environment. Most of the information is derived from measurement of the product fragment energy, angular, and state distributions. Recent activities are centered on the mechanisms of elementary chemical reactions involving oxygen atoms with unsaturated hydrocarbons, the dynamics of endothermic substitution reactions, the dependence of the chemical reactivity of electronically excited atoms on the alignment of excited orbitals, the primary photochemical processes of polyatomic molecules, intramolecular energy transfer of chemically activated and locally excited molecules, the energetics of free radicals that are important to combustion processes, the infrared-absorption spectra of carbonium ions and hydrated hydronium ions, and bond-selective photodissociation through electric excitation

Molecular beam studies of reaction dynamics

Energy Technology Data Exchange (ETDEWEB)

Lee, Y.T. [Lawrence Berkeley Laboratory, CA (United States)

1993-12-01

The major thrust of this research project is to elucidate detailed dynamics of simple elementary reactions that are theoretically important and to unravel the mechanism of complex chemical reactions or photochemical processes that play important roles in many macroscopic processes. Molecular beams of reactants are used to study individual reactive encounters between molecules or to monitor photodissociation events in a collision-free environment. Most of the information is derived from measurement of the product fragment energy, angular, and state distributions. Recent activities are centered on the mechanisms of elementary chemical reactions involving oxygen atoms with unsaturated hydrocarbons, the dynamics of endothermic substitution reactions, the dependence of the chemical reactivity of electronically excited atoms on the alignment of excited orbitals, the primary photochemical processes of polyatomic molecules, intramolecular energy transfer of chemically activated and locally excited molecules, the energetics of free radicals that are important to combustion processes, the infrared-absorption spectra of carbonium ions and hydrated hydronium ions, and bond-selective photodissociation through electric excitation.

Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations

DEFF Research Database (Denmark)

Skulason, Egill; Tripkovic, Vladimir; Björketun, Mårten

2010-01-01

charged Pt(111) slab and solvated protons in up to three water bilayers is considered and reaction energies and activation barriers are determined by using a newly developed computational scheme where the potential can be kept constant during a charge transfer reaction. We determine the rate limiting...... reaction on Pt(111) to be Tafel−Volmer for HOR and Volmer−Tafel for HER. Calculated rates agree well with experimental data. Both the H adsorption energy and the energy barrier for the Tafel reaction are then calculated for a range of metal electrodes, including Au, Ag, Cu, Pt, Pd, Ni, Ir, Rh, Co, Ru, Re......, W, Mo, and Nb, different facets, and step of surfaces. We compare the results for different facets of the Pt electrode to experimental data. Our results suggest that the most important parameter for describing the HOR or the HER activity of an electrode is its binding free energy of H. We present...

Investigation of excitation functions using new evaluated empirical and semi-empirical systematic for 14-15 MeV (n, t) reaction cross sections

International Nuclear Information System (INIS)

Tel, E.; Aydin, E. G.; Aydin, A.; Kaplan, A.

2007-01-01

The hybrid reactor is a combination of the fusion and fission processes. In the fusion-fission hybrid reactor, tritium self-sufficiency must be maintained for a commercial power plant. For self-sustaining (D-T) fusion driver tritium breeding ratio should be greater than 1.05. Working out the systematics of (n,t) reaction cross sections is of great importance for the definition of the excitation function character for the given reaction taking place on various nuclei at energies up to 20 MeV. In this study, we have investigated the asymmetry term effect for the (n,t) reaction cross sections at 14-15 neutron incident energy. It has been discussed the odd even effect and the pairing effect considering binding energy systematic of the nuclear shell model for the new experimental data and new cross section formulas (n,t) reactions developed by Tel et al. We have determined a different parameter groups by the classification of nuclei into even-even, even-odd and odd-even for (n,t) reactions cross sections. The obtained empirical formulas by fitting two parameter for (n,t) reactions were given. All calculated results have been compared with the experimental data. By using the new cross sections formulas (n,t) reactions the obtained results have been discussed and compared with the available experimental data

Direct mapping of the angle-dependent barrier to reaction for Cl + CHD3 using polarized scattering data

Science.gov (United States)

Pan, Huilin; Wang, Fengyan; Czakó, Gábor; Liu, Kopin

2017-12-01

The transition state, which gates and modulates reactive flux, serves as the central concept in our understanding of activated reactions. The barrier height of the transition state can be estimated from the activation energy taken from thermal kinetics data or from the energetic threshold in the measured excitation function (the dependence of reaction cross-sections on initial collision energies). However, another critical and equally important property, the angle-dependent barrier to reaction, has not yet been amenable to experimental determination until now. Here, using the benchmark reaction of Cl + CHD3(v1 = 1) as an example, we show how to map this anisotropic property of the transition state as a function of collision energy from the preferred reactant bond alignment of the backward-scattered products—the imprints of small impact-parameter collisions. The deduced bend potential at the transition state agrees with ab initio calculations. We expect that the method should be applicable to many other direct reactions with a collinear barrier.

The dynamics of the Hg + Br2 reaction: elucidation of the reaction mechanism for the Br exchange reaction.

Science.gov (United States)

Jambrina, P G; Menéndez, M; Aoiz, F J

2017-06-28

In spite of its importance in the Hg atmospheric chemistry, the dynamics of the Hg + Br 2 → HgBr + Br reaction is poorly understood. In this article, we have carried out a comprehensive study of the reaction mechanism of this reaction by means of quasiclassical trajectories (QCTs) on an existing ab initio potential energy surface (PES). The reaction has a non trivial dynamics, as a consequence of its large endothermicity, the presence of a deep potential well, and the competition between the Br exchange and the collision induced dissociation processes. Our calculations demonstrate that insertion is only relevant at energies just above the reaction threshold and that, at energies above 2.3 eV, HgBr formation typically takes place via a sort of frustrated dissociation. In order to compare directly with the results obtained in extensive cross molecular beam experiments for the homologous reaction with I 2 , angular distributions in the laboratory frame for Hg + Br 2 have been simulated under similar experimental conditions. The lack of agreement at the highest energies considered suggests that either the two reactions have substantially different mechanisms or that calculations on a single PES cannot account for the dynamics at those energies.

Dynamics of traveling reaction pulses

International Nuclear Information System (INIS)

Dovzhenko, A. Yu.; Rumanov, E. N.

2007-01-01

The growth of activator losses is accompanied by the decay of a traveling reaction pulse. In a ring reactor, this propagation threshold is present simultaneously with a threshold related to the ring diameter. The results of numerical experiments with pulses of an exothermal reaction reveal the transition from pulse propagation to a homogeneous hot regime, established regimes with periodic variations of the pulse velocity, and oscillatory decay of the pulse. When the medium becomes 'bistable' as a result of the variation in parameters, this factor does not prevent the propagation of pulses, but leads to changes in the pulse structure

Intramolecular Diels-Alder Reactions in Organic Synthesis

OpenAIRE

Sizemore, Nicholas Blandford Luke

2014-01-01

Intramolecular Diels-Alder (IMDA) reactions are an important class of reactions in synthetic organic chemistry for the rapid construction of polycyclic frameworks. Three classes of IMDA reactions were investigated synthetically and computationally: 1) all-carbon type 1 IMDA reactions, 2) N-acylnitroso type 2 IMDA reactions, and 3) cyano-azadiene IMDA reactions. The first class was implemented in research toward the total synthesis of maoecrystal Z and isopalhinine A. The second class was stud...

IAEA nuclear data for applications: Cross section standards and the reference input parameter library (RIPL)

International Nuclear Information System (INIS)

Capote Noy, Roberto; Nichols, Alan L.; Pronyaev, Vladimir G.

2003-01-01

An integral part of the activities of the IAEA Nuclear Data Section involves the development of nuclear data for a wide range of user applications. When considering low-energy nuclear reactions induced by neutrons, photons and charged particles, a detailed knowledge is required of the production cross sections over a wide energy range, spectra of emitted particles and their angular distributions. Two highly relevant IAEA data development projects are considered in this paper. Neutron reaction cross-section standards represent the basic quantities needed in nuclear reaction cross-section measurements and evaluations. These standards and the covariance matrices of their uncertainties were previously evaluated and released in 1987. However, the derived uncertainties were subsequently considered to be unrealistic low due to the effect of the low uncertainties obtained in fitting the light element standards to the R-matrix model; as a result, evaluators were forced to scale up the uncertainties to 'expected values'. An IAEA Coordinated Research Project (CRP) entitled 'Improvement of the Standard Cross Sections for Light Elements' was initiated in 2002 to improve the evaluation methodology for the covariance matrix of uncertainty in the R-matrix model fits, and to produce R-matrix evaluations of the important light element standards. The scope of this CRP has been substantially extended to include the preparation of a full set of evaluated standard reactions and covariance matrices of their uncertainties. While almost all requests for nuclear data were originally addressed through measurement programmes, our theoretical understanding of nuclear phenomena has reached a reasonable degree of reliability and nuclear modeling has become standard practice in nuclear data evaluations (with measurements remaining crucial for data testing and benchmarking). Since nuclear model codes require a considerable amount of numerical input, the IAEA has instigated extensive efforts to

Biotropic parameters of magnetic fields

Energy Technology Data Exchange (ETDEWEB)

Shishlo, M.A.

The use of magnetic fields (MF) in biology and medicine to control biological systems has led to appearance of the term, biotropic parameters of MF. They include the physical characteristics of MF, which determine the primary biologically significant physicochemical mechanisms of field action causing formation of corresponding reactions on the level of the integral organism. These parameters include MF intensity, gradient, vector, pulse frequency and shape, and duration of exposure. Factors that elicit responses by the biological system include such parameter of MF interaction with the integral organism as localization of exposure and volume of tissues interacting with the field, as well as the initial state of the organism. In essence, the findings of experimental studies of biotropic parameters of MF make it possible to control physiological processes and will aid in optimizing methods of MF therapy.

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...

Phenomenological study of the p p →π+p n reaction

Science.gov (United States)

Fäldt, G.; Wilkin, C.

2018-02-01

Fully constrained bubble chamber data on the p p →π+p n and p p →π+d reactions are used to investigate the ratio of the counting rates for the two processes as function of the p n excitation energy Q . Though it is important to include effects associated with the p -wave nature of pion production, the data are insufficient to establish unambiguously the dependence on Q . The angular distributions show the presence of higher partial waves which seem to be anomalously large at small Q . The dispersion relation method to determine scattering lengths is extended to encompass cases where, as for the p p →π+p n reaction, there is a bound state and, in a test example, it is shown that the values deduced for the low-energy neutron-proton scattering parameters are significantly influenced by the pion p -wave behavior.

NMR reaction monitoring in flow synthesis.

Science.gov (United States)

Gomez, M Victoria; de la Hoz, Antonio

2017-01-01

Recent advances in the use of flow chemistry with in-line and on-line analysis by NMR are presented. The use of macro- and microreactors, coupled with standard and custom made NMR probes involving microcoils, incorporated into high resolution and benchtop NMR instruments is reviewed. Some recent selected applications have been collected, including synthetic applications, the determination of the kinetic and thermodynamic parameters and reaction optimization, even in single experiments and on the μL scale. Finally, software that allows automatic reaction monitoring and optimization is discussed.

The comparison of dairy performance and some reproductive parameters of holstein cows imported from Sweden and their Polish age mates

Directory of Open Access Journals (Sweden)

Ewa Czerniawska-Piątkowska

2007-01-01

Full Text Available The general aim of the present work was to compare dairy performance and some reproductive parameters of Holstein-Friesian (HF cows imported from Sweden as an in-calf heifers, and their age mates in Poland. The animals were kept freely on the deep litter on the farm owned by Agro-company “Witkowo” and feeding was based on TMR (total mixed ration system during whole year. All ration’s ingredients (bulky feed, concentrate, miscellaneous additives were mixed and fed as all-mash. The feed ration depended from the physiological condition of a cow and it was composed of corn and grass ensilage, mash concentrate, crushed corn meal, brewer’s grains and beet pulp.Cows imported from Sweden as in-calf heifers obtained higher milk, fat and protein yield in both lactations comparing to home cows. Significant statistical differences were observed for kg of milk, kg of protein, for FCM (P<0.01 and for kg of fat (P<0.05 in 2nd lactation. Fat and protein content in milk was in average higher for home cows (P<0.01. Big differences (P<0.01 were observed in SBT (proportion of protein to fat content and RTB (difference between concentration of fat and protein at imported cows in 2nd lactation. As far as reproduction parameters (gestation interval, calving interval, insemination index are concerned was cows from Sweden better too. Heifers from Sweden calved earlier. The usage of high genetic potential of imported cows is possible only with providing them optimum living conditions suitable to their needs.

Nonlinear analysis of a reaction-diffusion system: Amplitude equations

Energy Technology Data Exchange (ETDEWEB)

Zemskov, E. P., E-mail: zemskov@ccas.ru [Russian Academy of Sciences, Dorodnicyn Computing Center (Russian Federation)

2012-10-15

A reaction-diffusion system with a nonlinear diffusion term is considered. Based on nonlinear analysis, the amplitude equations are obtained in the cases of the Hopf and Turing instabilities in the system. Turing pattern-forming regions in the parameter space are determined for supercritical and subcritical instabilities in a two-component reaction-diffusion system.

Life cycle assessment and residue leaching: The importance of parameter, scenario and leaching data selection

Energy Technology Data Exchange (ETDEWEB)

Allegrini, E., E-mail: elia@env.dtu.dk [Technical University of Denmark, Department of Environmental Engineering, Building 115, 2800 Lyngby (Denmark); Butera, S. [Technical University of Denmark, Department of Environmental Engineering, Building 115, 2800 Lyngby (Denmark); Kosson, D.S. [Vanderbilt University, Department of Civil and Environmental Engineering, Box 1831 Station B, Nashville, TN 37235 (United States); Van Zomeren, A. [Energy Research Centre of the Netherlands (ECN), Department of Environmental Risk Assessment, P.O. Box 1, 1755 ZG Petten (Netherlands); Van der Sloot, H.A. [Hans van der Sloot Consultancy, Dorpsstraat 216, 1721 BV Langedijk (Netherlands); Astrup, T.F. [Technical University of Denmark, Department of Environmental Engineering, Building 115, 2800 Lyngby (Denmark)

2015-04-15

Highlights: • Relevance of metal leaching in waste management system LCAs was assessed. • Toxic impacts from leaching could not be disregarded. • Uncertainty of toxicity, due to background activities, determines LCA outcomes. • Parameters such as pH and L/S affect LCA results. • Data modelling consistency and coverage within an LCA are crucial. - Abstract: Residues from industrial processes and waste management systems (WMSs) have been increasingly reutilised, leading to landfilling rate reductions and the optimisation of mineral resource utilisation in society. Life cycle assessment (LCA) is a holistic methodology allowing for the analysis of systems and products and can be applied to waste management systems to identify environmental benefits and critical aspects thereof. From an LCA perspective, residue utilisation provides benefits such as avoiding the production and depletion of primary materials, but it can lead to environmental burdens, due to the potential leaching of toxic substances. In waste LCA studies where residue utilisation is included, leaching has generally been neglected. In this study, municipal solid waste incineration bottom ash (MSWI BA) was used as a case study into three LCA scenarios having different system boundaries. The importance of data quality and parameter selection in the overall LCA results was evaluated, and an innovative method to assess metal transport into the environment was applied, in order to determine emissions to the soil and water compartments for use in an LCA. It was found that toxic impacts as a result of leaching were dominant in systems including only MSWI BA utilisation, while leaching appeared negligible in larger scenarios including the entire waste system. However, leaching could not be disregarded a priori, due to large uncertainties characterising other activities in the scenario (e.g. electricity production). Based on the analysis of relevant parameters relative to leaching, and on general results

Adverse reactions associated with acetylcysteine.

Science.gov (United States)

Sandilands, E A; Bateman, D N

2009-02-01

Paracetamol (acetaminophen) is one of the most common agents deliberately ingested in self-poisoning episodes and a leading cause of acute liver failure in the western world. Acetylcysteine is widely acknowledged as the antidote of choice for paracetamol poisoning, but its use is not without risk. Adverse reactions, often leading to treatment delay, are frequently associated with both intravenous and oral acetylcysteine and are a common source of concern among treating physicians. A systematic literature review investigating the incidence, clinical features, and mechanisms of adverse effects associated with acetylcysteine. A variety of adverse reactions to acetylcysteine have been described ranging from nausea to death, most of the latter due to incorrect dosing. The pattern of reactions differs with oral and intravenous dosing, but reported frequency is at least as high with oral as intravenous. The reactions to the intravenous preparation result in similar clinical features to true anaphylaxis, including rash, pruritus, angioedema, bronchospasm, and rarely hypotension, but are caused by nonimmunological mechanisms. The precise nature of this reaction remains unclear. Histamine now seems to be an important mediator of the response, and there is evidence of variability in patient susceptibility, with females, and those with a history of asthma or atopy are particularly susceptible. Quantity of paracetamol ingestion, measured through serum paracetamol concentration, is also important as higher paracetamol concentrations protect patients against anaphylactoid effects. Most anaphylactoid reactions occur at the start of acetylcysteine treatment when concentrations are highest. Acetylcysteine also affects clotting factor activity, and this affects the interpretation of minor disturbances in the International Normalized Ratio in the context of paracetamol overdose. This review discusses the incidence, clinical features, underlying pathophysiological mechanisms, and

Impact of Cattaneo-Christov Heat Flux in Jeffrey Fluid Flow with Homogeneous-Heterogeneous Reactions.

Directory of Open Access Journals (Sweden)

Tasawar Hayat

Full Text Available Two-dimensional stretched flow of Jeffrey fluid in view of Cattaneo-Christov heat flux is addressed. Effects of homogeneous-heterogeneous reactions are also considered. Suitable transformations are used to form ordinary differential equations. Convergent series solutions are computed. Impact of significant parameters on the velocity, temperature, concentration and skin friction coefficient is addressed. Analysis of thermal relaxation is made. The obtained results show that ratio of relaxation to retardation times and Deborah number have inverse relation for velocity profile. Temperature distribution has decreasing behavior for Prandtl number and thermal relaxation time. Also concentration decreases for larger values of strength of homogeneous reaction parameter while it increases for strength of heterogeneous reaction parameter.

Impact of Cattaneo-Christov Heat Flux in Jeffrey Fluid Flow with Homogeneous-Heterogeneous Reactions.

Science.gov (United States)

Hayat, Tasawar; Qayyum, Sumaira; Imtiaz, Maria; Alsaedi, Ahmed

2016-01-01

Two-dimensional stretched flow of Jeffrey fluid in view of Cattaneo-Christov heat flux is addressed. Effects of homogeneous-heterogeneous reactions are also considered. Suitable transformations are used to form ordinary differential equations. Convergent series solutions are computed. Impact of significant parameters on the velocity, temperature, concentration and skin friction coefficient is addressed. Analysis of thermal relaxation is made. The obtained results show that ratio of relaxation to retardation times and Deborah number have inverse relation for velocity profile. Temperature distribution has decreasing behavior for Prandtl number and thermal relaxation time. Also concentration decreases for larger values of strength of homogeneous reaction parameter while it increases for strength of heterogeneous reaction parameter.

Bayesian experts in exploring reaction kinetics of transcription circuits.

Science.gov (United States)

Yoshida, Ryo; Saito, Masaya M; Nagao, Hiromichi; Higuchi, Tomoyuki

2010-09-15

Biochemical reactions in cells are made of several types of biological circuits. In current systems biology, making differential equation (DE) models simulatable in silico has been an appealing, general approach to uncover a complex world of biochemical reaction dynamics. Despite of a need for simulation-aided studies, our research field has yet provided no clear answers: how to specify kinetic values in models that are difficult to measure from experimental/theoretical analyses on biochemical kinetics. We present a novel non-parametric Bayesian approach to this problem. The key idea lies in the development of a Dirichlet process (DP) prior distribution, called Bayesian experts, which reflects substantive knowledge on reaction mechanisms inherent in given models and experimentally observable kinetic evidences to the subsequent parameter search. The DP prior identifies significant local regions of unknown parameter space before proceeding to the posterior analyses. This article reports that a Bayesian expert-inducing stochastic search can effectively explore unknown parameters of in silico transcription circuits such that solutions of DEs reproduce transcriptomic time course profiles. A sample source code is available at the URL http://daweb.ism.ac.jp/~yoshidar/lisdas/.

NMR reaction monitoring in flow synthesis

Directory of Open Access Journals (Sweden)

M. Victoria Gomez

2017-02-01

Full Text Available Recent advances in the use of flow chemistry with in-line and on-line analysis by NMR are presented. The use of macro- and microreactors, coupled with standard and custom made NMR probes involving microcoils, incorporated into high resolution and benchtop NMR instruments is reviewed. Some recent selected applications have been collected, including synthetic applications, the determination of the kinetic and thermodynamic parameters and reaction optimization, even in single experiments and on the μL scale. Finally, software that allows automatic reaction monitoring and optimization is discussed.

Outcome of homogeneous and heterogeneous reactions in Darcy-Forchheimer flow with nonlinear thermal radiation and convective condition

Directory of Open Access Journals (Sweden)

T. Hayat

Full Text Available The present analysis aims to report the consequences of nonlinear radiation, convective condition and heterogeneous-homogeneous reactions in Darcy-Forchheimer flow over a non-linear stretching sheet with variable thickness. Non-uniform magnetic field and nonuniform heat generation/absorption are accounted. The governing boundary layer partial differential equations are converted into a system of nonlinear ordinary differential equations. The computations are organized and the effects of physical variables such as thickness parameter, power index, Hartman number, inertia and porous parameters, radiation parameter, Biot number, Prandtl number, ratio parameter, heat generation parameter and homogeneous-heterogeneous reaction parameter are investigated. The variations of skin friction coefficient and Nusselt number for different interesting variables are plotted and discussed. It is noticed that Biot number and heat generation variable lead to enhance the temperature distribution. The solutal boundary layer thickness decreases for larger homogeneous variable while reverse trend is seen for heterogeneous reaction. Keywords: Variable sheet thickness, Darcy-Forchheimer flow, Homogeneous-heterogeneous reactions, Power-law surface velocity, Convective condition, Heat generation/absorption, Nonlinear radiation

A parameter tree approach to estimating system sensitivities to parameter sets

International Nuclear Information System (INIS)

Jarzemba, M.S.; Sagar, B.

2000-01-01

Total System Performance Assessment Code called TPA, realizations are obtained and analyzed. In the examples presented, groups of five important parameters, one for each level of the tree, are used to identify branches of the tree and construct the bins. In the first example, the five important parameters are selected by more traditional sensitivity analysis techniques. This example shows that relatively few branches of the tree dominate system performance. In another example, the same realizations are used but the most important five-parameter set is determined in a stepwise manner (using the parameter tree technique) and it is found that these five parameters do not match the five of the first example. This important result shows that sensitivities based on individual parameters (i.e. one parameter at a time) may differ from sensitivities estimated based on joint sets of parameters (i.e. two or more parameters at a time). The technique is extended using subsystem outputs to define the branches of the tree. The subsystem outputs used in this example are the total cumulative radionuclide release (TCR) from the engineered barriers, unsaturated zone, and saturated zone over 10,000 yr. The technique is found to be successful in estimating the relative influence of each of these three subsystems on the overall system behavior

Cross sections and reaction rates of d+{sup 8}Li reactions involved in Big Bang nucleosynthesis

Energy Technology Data Exchange (ETDEWEB)

Balbes, M.J. [Ohio State Univ., Columbus, OH (United States). Dept. of Physics; Farrell, M.M. [Ohio State Univ., Columbus, OH (United States). Dept. of Physics; Boyd, R.N. [Ohio State Univ., Columbus, OH (United States). Dept. of Physics]|[Department of Astronomy, Ohio State University, Columbus, OH 43210 (United States); Gu, X. [Ohio State Univ., Columbus, OH (United States). Dept. of Physics; Hencheck, M. [Ohio State Univ., Columbus, OH (United States). Dept. of Physics; Kalen, J.D. [Ohio State Univ., Columbus, OH (United States). Dept. of Physics; Mitchell, C.A. [Ohio State Univ., Columbus, OH (United States). Dept. of Physics; Kolata, J.J. [Department of Physics, University of Notre Dame, Notre Dame, IN 46556 (United States); Lamkin, K. [Department of Physics, University of Notre Dame, Notre Dame, IN 46556 (United States); Smith, R. [Division of Nuclear Medicine, Department of Radiology, Hospital of the University of Pennsylvania, Philadelphia, PA 19104 (United States); Tighe, R. [Lawrence Berkeley Laboratory, Berkeley, CA 94720 (United States); Ashktorab, K. [Department of Physics, University of Michigan, Ann Arbor, MI 48109 (United States); Becchetti, F.D. [Department of Physics, University of Michigan, Ann Arbor, MI 48109 (United States); Brown, J. [Department of Physics, University of Michigan, Ann Arbor, MI 48109 (United States); Roberts, D. [Department of Physics, University of Michigan, Ann Arbor, MI 48109 (United States); Wang, T.F. [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Humphrey, D. [Department of Physics, University of Western Kentucky, Bowling Green, KY 42101 (United States); Vourvopoulos, G. [Department of Physics, University of Western Kentucky, Bowling Green, KY 42101 (United States); Islam, M.S. [Department of Physics, Ball State University, Muncie, IN 47306 (United States)

1995-02-20

We have measured angular distributions of the {sup 2}H({sup 8}Li, {sup 7}Li){sup 3}H and {sup 2}H({sup 8}Li, {sup 9}Be)n reactions at E{sub c.m.}=1.5 to 2.8 MeV using an {sup 8}Li-radioactive-beam technique. Astrophysical S-factors and reaction rates were calculated from the measured cross sections. Although the {sup 2}H({sup 8}Li, {sup 9}Be)n cross section is small, it can contribute to {sup 9}Be synthesis. The {sup 2}H({sup 8}Li, {sup 7}Li){sup 3}H reaction has a sufficiently large cross section to destroy {sup 8}Li, which may decrease the synthesis of heavier elements. No products from the {sup 2}H({sup 8}Li, {sup 9}Li)p reaction were detected. We also present the results of calculations using the inhomogeneous model of primordial nucleosynthesis in several regions of parameter space. ((orig.))

Diffusion-controlled reaction. V. Effect of concentration-dependent diffusion coefficient on reaction rate in graft polymerization

International Nuclear Information System (INIS)

Imre, K.; Odian, G.

1979-01-01

The effect of diffusion on radiation-initiated graft polymerization has been studied with emphasis on the single- and two-penetrant cases. When the physical properties of the penetrants are similar, the two-penetrant problems can be reduced to the single-penetrant problem by redefining the characteristic parameters of the system. The diffusion-free graft polymerization rate is assumed to be proportional to the upsilon power of the monomer concentration respectively, and, in which the proportionality constant a = k/sub p/R/sub i//sup w//k/sub t//sup z/, where k/sub p/ and k/sub t/ are the propagation and termination rate constants, respectively, and R/sub i/ is the initiation rate. The values of upsilon, w, and z depend on the particular reaction system. The results of earlier work were generalized by allowing a non-Fickian diffusion rate which predicts an essentially exponential dependence on the monomer concentration of the diffusion coefficient, D = D 0 [exp(deltaC/M)], where M is the saturation concentration. A reaction system is characterized by the three dimensionless parameters, upsilon, delta, and A = (L/2)[aM/sup (upsilon--1)//D 0 ]/sup 1/2/, where L is the polymer film thickness. Graft polymerization tends to become diffusion controlled as A increases. Larger values of delta and ν cause a reaction system to behave closer to the diffusion-free regime. Transition from diffusion-free to diffusion-controlled reaction involves changes in the dependence of the reaction rate on film thickness, initiation rate, and monomer concentration. Although the diffusion-free rate is w order in initiation rate, upsilon order in monomer, and independent of film thickness, the diffusion-controlled rate is w/2 order in initiator rate and inverse first-order in film thickness. Dependence of the diffusion-controlled rate on monomer is dependent in a complex manner on the diffusional characteristics of the reaction system. 11 figures, 4 tables

Identifying Understudied Nuclear Reactions by Text-mining the EXFOR Experimental Nuclear Reaction Library

Energy Technology Data Exchange (ETDEWEB)

Hirdt, J.A. [Department of Mathematics and Computer Science, St. Joseph' s College, Patchogue, NY 11772 (United States); Brown, D.A., E-mail: dbrown@bnl.gov [National Nuclear Data Center, Brookhaven National Laboratory, Upton, NY 11973-5000 (United States)

2016-01-15

The EXFOR library contains the largest collection of experimental nuclear reaction data available as well as the data's bibliographic information and experimental details. We text-mined the REACTION and MONITOR fields of the ENTRYs in the EXFOR library in order to identify understudied reactions and quantities. Using the results of the text-mining, we created an undirected graph from the EXFOR datasets with each graph node representing a single reaction and quantity and graph links representing the various types of connections between these reactions and quantities. This graph is an abstract representation of the connections in EXFOR, similar to graphs of social networks, authorship networks, etc. We use various graph theoretical tools to identify important yet understudied reactions and quantities in EXFOR. Although we identified a few cross sections relevant for shielding applications and isotope production, mostly we identified charged particle fluence monitor cross sections. As a side effect of this work, we learn that our abstract graph is typical of other real-world graphs.

Identifying Understudied Nuclear Reactions by Text-mining the EXFOR Experimental Nuclear Reaction Library

International Nuclear Information System (INIS)

Hirdt, J.A.; Brown, D.A.

2016-01-01

The EXFOR library contains the largest collection of experimental nuclear reaction data available as well as the data's bibliographic information and experimental details. We text-mined the REACTION and MONITOR fields of the ENTRYs in the EXFOR library in order to identify understudied reactions and quantities. Using the results of the text-mining, we created an undirected graph from the EXFOR datasets with each graph node representing a single reaction and quantity and graph links representing the various types of connections between these reactions and quantities. This graph is an abstract representation of the connections in EXFOR, similar to graphs of social networks, authorship networks, etc. We use various graph theoretical tools to identify important yet understudied reactions and quantities in EXFOR. Although we identified a few cross sections relevant for shielding applications and isotope production, mostly we identified charged particle fluence monitor cross sections. As a side effect of this work, we learn that our abstract graph is typical of other real-world graphs.

Shape nuclei and nuclear reactions

International Nuclear Information System (INIS)

Yushkov, A.V.

1975-01-01

Experimental methods for obtaining the nucleus shape parameters are reviewed throughout the period of 1955-1975. Spatial properties of a nucleus, which can be directly or indirectly measured, are determined. They include: parameters of nucleus localization in space; parameters characterizing the nucleus nonsphericity; parameters of the nucleus nonaxiality. Dimensional parameters of a nucleus, namely, radius R and surface ΔR are derived from electron scattering. The deformation sign is indirectly obtained in the experiments. Parameters of the nucleus shape, namely, the sign and magnitude of nuclear deformation are derived from the mean energy proton scattering by a coupled channels method. The only direct way of deriving the nucleus surface deformation signs is the method of the Blaire phase shift. Results on scattering of electrons, protons, and α-particles on light and medium nuclei are reported. Data on the nucleus shape can be also obtained from reactions with heavy ions. A difference between strong absorptions of incident particles of high and average energy by a nucleus is noted. Numerous diagrams illustrate experimental and theoretical results

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.

Charged-particle thermonuclear reaction rates: II. Tables and graphs of reaction rates and probability density functions

International Nuclear Information System (INIS)

Iliadis, C.; Longland, R.; Champagne, A.E.; Coc, A.; Fitzgerald, R.

2010-01-01

Numerical values of charged-particle thermonuclear reaction rates for nuclei in the A=14 to 40 region are tabulated. The results are obtained using a method, based on Monte Carlo techniques, that has been described in the preceding paper of this issue (Paper I). We present a low rate, median rate and high rate which correspond to the 0.16, 0.50 and 0.84 quantiles, respectively, of the cumulative reaction rate distribution. The meaning of these quantities is in general different from the commonly reported, but statistically meaningless expressions, 'lower limit', 'nominal value' and 'upper limit' of the total reaction rate. In addition, we approximate the Monte Carlo probability density function of the total reaction rate by a lognormal distribution and tabulate the lognormal parameters μ and σ at each temperature. We also provide a quantitative measure (Anderson-Darling test statistic) for the reliability of the lognormal approximation. The user can implement the approximate lognormal reaction rate probability density functions directly in a stellar model code for studies of stellar energy generation and nucleosynthesis. For each reaction, the Monte Carlo reaction rate probability density functions, together with their lognormal approximations, are displayed graphically for selected temperatures in order to provide a visual impression. Our new reaction rates are appropriate for bare nuclei in the laboratory. The nuclear physics input used to derive our reaction rates is presented in the subsequent paper of this issue (Paper III). In the fourth paper of this issue (Paper IV) we compare our new reaction rates to previous results.

A sistematical study of spallation reaction

International Nuclear Information System (INIS)

Foshina, M.

1982-01-01

A four-parameter semi-empirical formulae is proposed to calculate photo-spallation cross sections. This formulae is deduced starting from a nuclear model considered as a particle mixture without differences among them and the spallation phenomenous is considered as sucessive nucleon emission ruled by determined probability law. The formulae parameters are obtained from photo-spallation yields experimentally determined and available in literature. A variation study of the values of different parameters with the mass number of the 'seed' nucleus and incident energy is made. A parallel study for the spallation reactions induced by protons of a sampling of 720 data is also presented. (L.C.) [pt

Modelling and simulation of a transketolase mediated reaction: Sensitivity analysis of kinetic parameters

DEFF Research Database (Denmark)

Sayar, N.A.; Chen, B.H.; Lye, G.J.

2009-01-01

In this paper we have used a proposed mathematical model, describing the carbon-carbon bond format ion reaction between beta-hydroxypyruvate and glycolaldehyde to synthesise L-erythrulose, catalysed by the enzyme transketolase, for the analysis of the sensitivity of the process to its kinetic...

Calculus of variations in rate of reactions tax using the general pertubation theory

International Nuclear Information System (INIS)

Silva, F.C. da.

1981-02-01

A perturbation expression to calculate the variations in the rates of integral parameters (such as reaction rates) of a reactor using a Time-Independent Generalized Perturbation Theory, was developed. This theory makes use of the concepts of neutron generation and neutron importance with respect to a given process occurring in a system. The application of Time-Dependent Generalized Perturbation Theory to the calculation of Burnup, by using the expressions derived by A. Gandini, along with the perturbation expression derived in the Time Independent Generalized Perturbation Theory, is done. (Author) [pt

Reaction mechanisms of metal complexes

CERN Document Server

Hay, R W

2000-01-01

This text provides a general background as a course module in the area of inorganic reaction mechanisms, suitable for advanced undergraduate and postgraduate study and/or research. The topic has important research applications in the metallurgical industry and is of interest in the science of biochemistry, biology, organic, inorganic and bioinorganic chemistry. In addition to coverage of substitution reactions in four-, five- and six-coordinate complexes, the book contains further chapters devoted to isomerization and racemization reactions, to the general field of redox reactions, and to the reactions of coordinated ligands. It is relevant in other fields such as organic, bioinorganic and biological chemistry, providing a bridge to organic reaction mechanisms. The book also contains a chapter on the kinetic background to the subject with many illustrative examples which should prove useful to those beginning research. Provides a general background as a course module in the area of inorganic reaction mechanis...

Tutorial Review: Simulation of Oscillating Chemical Reactions Using Microsoft Excel Macros

Directory of Open Access Journals (Sweden)

Abdolhossein Naseri

2016-12-01

Full Text Available Oscillating reactions are one of the most interesting topics in chemistry and analytical chemistry. Fluctuations in concentrations of one the reacting species (usually a reaction intermediate create an oscillating chemical reaction. In oscillating systems, the reaction is far from thermodynamic equilibrium. In these systems, at least one autocatalytic step is required. Developing an instinctive feeling for how oscillating reactions work will be invaluable to future generations of chemists. Some software programs have been released for simulating oscillating systems; however, the algorithm details of such software are not transparent to chemists. In contrast, function of spreadsheet tools, like Microsoft Excel, is well understood, and the software is nearly universally available. In this work, the simulation and visualization of different oscillating systems are performed using Microsoft excel. The simple repetitive solving of the ordinary differential equation of an autocatalytic reaction (a spreadsheet row followed by time, easily automated by a subroutine (a “Macro” in Excel, readily simulates an oscillating reaction. This permits the simulation of some oscillating systems such asBelousov-Zhabotinsky. The versatility of an easily understandable computational platform further enables the simulation of the effects of linear and nonlinear parameters such as concentrations of reactants and catalyst, and kinetic constants. These parameters are readily changed to examine their effects.

Optimization of reaction parameters for enzymatic glyceride synthesis from fish oil: Ethyl esters versus free fatty acids

DEFF Research Database (Denmark)

Ravn, Helle Christine; Damstrup, Marianne L.; Meyer, Anne S.

2012-01-01

Enzymatic conversion of fish oil free fatty acids (FFA) or fatty acid ethyl esters (FAE) into glycerides via esterification or transesterification was examined. The reactions catalyzed by Lipozyme™ 435, a Candida antarctica lipase, were optimized. Influence on conversion yields of fatty acid chain...... length, saturation degree, temperature, enzyme dosage, molar ratio glycerol:fatty acids, acyl source composition (w/w ratio FFA:FAE), and reaction time was evaluated collectively by multiple linear regression. All reaction variables influenced the conversion into glycerides. Transesterification of FAE...

Estimation of beech pyrolysis kinetic parameters by Shuffled Complex Evolution.

Science.gov (United States)

Ding, Yanming; Wang, Changjian; Chaos, Marcos; Chen, Ruiyu; Lu, Shouxiang

2016-01-01

The pyrolysis kinetics of a typical biomass energy feedstock, beech, was investigated based on thermogravimetric analysis over a wide heating rate range from 5K/min to 80K/min. A three-component (corresponding to hemicellulose, cellulose and lignin) parallel decomposition reaction scheme was applied to describe the experimental data. The resulting kinetic reaction model was coupled to an evolutionary optimization algorithm (Shuffled Complex Evolution, SCE) to obtain model parameters. To the authors' knowledge, this is the first study in which SCE has been used in the context of thermogravimetry. The kinetic parameters were simultaneously optimized against data for 10, 20 and 60K/min heating rates, providing excellent fits to experimental data. Furthermore, it was shown that the optimized parameters were applicable to heating rates (5 and 80K/min) beyond those used to generate them. Finally, the predicted results based on optimized parameters were contrasted with those based on the literature. Copyright © 2015 Elsevier Ltd. All rights reserved.

The effect of a non-steroidal anti-inflammatory drug on two important predictors for accidental falls: postural balance and manual reaction time. A randomized, controlled pilot study.

Science.gov (United States)

Hegeman, Judith; Nienhuis, Bart; van den Bemt, Bart; Weerdesteyn, Vivian; van Limbeek, Jacques; Duysens, Jacques

2011-04-01

Accidental falls in older individuals are a major health and research topic. Increased reaction time and impaired postural balance have been determined as reliable predictors for those at risk of falling and are important functions of the central nervous system (CNS). An essential risk factor for falls is medication exposure. Amongst the medications related to accidental falls are the non-steroidal anti-inflammatory drugs (NSAIDs). About 1-10% of all users experience CNS side effects. These side effects, such as dizziness, headaches, drowsiness, mood alteration, and confusion, seem to be more common during treatment with indomethacin. Hence, it is possible that maintenance of (static) postural balance and swift reactions to stimuli are affected by exposure to NSAIDs, indomethacin in particular, consequently putting older individuals at a greater risk for accidental falls. The present study investigated the effect of a high indomethacin dose in healthy middle-aged individuals on two important predictors of falls: postural balance and reaction time. Twenty-two healthy middle-aged individuals (59.5 ± 4.7 years) participated in this double-blind, placebo-controlled, randomized crossover trial. Three measurements were conducted with a week interval each. A measurement consisted of postural balance as a single task and while concurrently performing a secondary cognitive task and reaction time tasks. For the first measurement indomethacin 75 mg (slow-release) or a visually identical placebo was randomly assigned. In total, five capsules were taken orally in the 2.5 days preceding assessment. The second measurement was without intervention, for the final one the first placebo group got indomethacin and vice versa. Repeated measures GLM revealed no significant differences between indomethacin, placebo, and baseline in any of the balance tasks. No differences in postural balance were found between the single and dual task conditions, or on the performance of the dual task

Reaction theories for N* excitations in πN and γN reactions

International Nuclear Information System (INIS)

Lee, T.S.H.

1996-01-01

The importance of developing reaction theories for investigating N* physics is illustrated in an analysis of pion photoproduction on the nucleon. It is shown that the γN ↔ Δ transition amplitudes predicted by the constituent quark model are in agreement with the values extracted from the γN → πN data only when the contributions from the reaction mechanisms calculated using a dynamical approach are taken into account in the analysis

Alternative definitions of kinetic parameters for accelerator driven systems

International Nuclear Information System (INIS)

Talamo, Alberto; Gohar, Yousry; Dulla, Sandra; Ravetto, Piero

2012-01-01

Highlights: ► New definition of kinetic parameters for accelerator driven systems. ► Difference between effective and average delayed neutron fraction. ► Difference between effective and average prompt neutron lifetime. ► Effect of the neutron source (Cf, D–D, D–T) on k src . ► Effect of the (n, xn) reactions and source energy-angle distribution on k src . - Abstract: This study introduces a new formulation of kinetic parameters for accelerator driven systems and it is structured into two parts. The first part is dedicated to the classic definition of the kinetic parameters and compares different calculation methodologies. The second part considers a new definition of the kinetic parameters for subcritical assemblies, with particular emphasis on the delayed neutron fraction and the prompt neutron lifetime. This new definition takes into account neutrons from the external neutron source and (n, xn) reactions, which increase the fraction of prompt neutrons. The developed theoretical framework has been applied by Monte Carlo and deterministic calculations to the YALINA Thermal subcritical assembly located in Belarus. This facility can be driven by californium, deuterium–deuterium (D–D), or deuterium–tritium (D–T) external neutron sources. For the D–T neutron source, (n, xn) reactions must be taken into account in order to produce accurate results because the average energy of D–T source neutrons is 14.1 MeV, a value which is much higher than the threshold energy of the (n, 2n) cross section of uranium isotopes.

A Particle Smoother with Sequential Importance Resampling for soil hydraulic parameter estimation: A lysimeter experiment

Science.gov (United States)

Montzka, Carsten; Hendricks Franssen, Harrie-Jan; Moradkhani, Hamid; Pütz, Thomas; Han, Xujun; Vereecken, Harry

2013-04-01

An adequate description of soil hydraulic properties is essential for a good performance of hydrological forecasts. So far, several studies showed that data assimilation could reduce the parameter uncertainty by considering soil moisture observations. However, these observations and also the model forcings were recorded with a specific measurement error. It seems a logical step to base state updating and parameter estimation on observations made at multiple time steps, in order to reduce the influence of outliers at single time steps given measurement errors and unknown model forcings. Such outliers could result in erroneous state estimation as well as inadequate parameters. This has been one of the reasons to use a smoothing technique as implemented for Bayesian data assimilation methods such as the Ensemble Kalman Filter (i.e. Ensemble Kalman Smoother). Recently, an ensemble-based smoother has been developed for state update with a SIR particle filter. However, this method has not been used for dual state-parameter estimation. In this contribution we present a Particle Smoother with sequentially smoothing of particle weights for state and parameter resampling within a time window as opposed to the single time step data assimilation used in filtering techniques. This can be seen as an intermediate variant between a parameter estimation technique using global optimization with estimation of single parameter sets valid for the whole period, and sequential Monte Carlo techniques with estimation of parameter sets evolving from one time step to another. The aims are i) to improve the forecast of evaporation and groundwater recharge by estimating hydraulic parameters, and ii) to reduce the impact of single erroneous model inputs/observations by a smoothing method. In order to validate the performance of the proposed method in a real world application, the experiment is conducted in a lysimeter environment.

Production Biodiesel from Coconut Oil Using Microwave: Effect of Some Parameters on Transesterification Reaction by NaOH Catalyst

Directory of Open Access Journals (Sweden)

A. Suryanto

2015-07-01

Full Text Available The purpose of this research was to study the effect of reaction time and NaOH catalyst in transesterification of coconut oil enhanced by microwave and to obtain a biodiesel. Reaction was conducted in batch reactor which equipped by microwave. Coconut oil contains saturated fatty acids about 70% with medium chain (C8-C14, especially lauric acid and myristic acid. The reaction was initiated by mixing oil and methanol with oil to methanol mole ratios of 1:3, 1:6, 1:9 and 1:12, catalyst concentration of 0.1, 0.15, 0.2, 0.25 and 0.3 wt.%, as well as setting electrical power at 100, 264 and 400 W. The reaction times were of  0.5, 1, 1.5, 2, 2.5, 3 and 3.5 min. The result showed that microwave could be employed as an energy source and was able to accelerate the transesterification process to produce biodiesel using NaOH catalyst. The biodiesel yields increase with increasing microwave power. The highest yield of biodiesel obtained  was of  97.37%  with reaction conditions set at 0.2 wt.% catalyst, a reaction time of 2 min, molar ratio of methanol to oil 1:9 and microwave power of 400 watt. © 2015 BCREC UNDIP. All rights reservedReceived: 15th January 2015; Revised: 10th March 2015; Accepted: 15th March 2015How to Cite: Suryanto, A., Suprapto, S., Mahfud, M. (2015. Production Biodiesel from Coconut Oil Using Microwave: Effect of Reaction Time on Transesterification Reaction by NaOH Catalyst. Bulletin of Chemical Reaction Engineering & Catalysis, 10 (2: 162-168. (doi:10.9767/bcrec.10.2.8080.162-168 Permalink/DOI: http://dx.doi.org/10.9767/bcrec.10.2.8080.162-168 

Parameter Estimates in Differential Equation Models for Chemical Kinetics

Science.gov (United States)

Winkel, Brian

2011-01-01

We discuss the need for devoting time in differential equations courses to modelling and the completion of the modelling process with efforts to estimate the parameters in the models using data. We estimate the parameters present in several differential equation models of chemical reactions of order n, where n = 0, 1, 2, and apply more general…

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.

Neutrino-induced neutral-current reaction cross sections for r-process nuclei

CERN Document Server

Langanke, K

2002-01-01

Neutrino-induced reactions play an important role during and after the r-process, if the latter occurs in an environment with extreme neutrino fluxes such as the neutrino-driven wind model or neutron star mergers. Recently we have evaluated the charged-current neutrino-nucleus cross sections relevant for r-process simulations. We extend our approach here to the neutral-current cross sections. Our tabulation considers neutron-rich nuclei with neutron numbers N=41-135 and charge numbers Z=21-82 and lists total as well as partial neutron spallation cross sections. The calculations have been performed within the random phase approximation considering multipole transitions with J<=3 and both parities. The supernova neutrino spectrum is described by a Fermi-Dirac distribution with various temperature parameters between T=2.8 MeV and T=10 MeV and with the degeneracy parameters alpha=0 and alpha=3.

Assessment of quantitative FDG PET data in primary colorectal tumours: which parameters are important with respect to tumour detection?

International Nuclear Information System (INIS)

Strauss, Ludwig G.; Pan, Leyun; Dimitrakopoulou-Strauss, Antonia; Klippel, Sven; Schoenleben, Klaus; Haberkorn, Uwe

2007-01-01

The impact of quantitative parameters on the differentiation of primary colorectal tumours from normal colon tissue was assessed. Dynamic PET data (DPET) were acquired, and compartment and non-compartment modelling applied. The discriminant power of single parameters and the combination of PET parameters was assessed. All lesions were confirmed by histology. FDG DPET studies were acquired in 22 patients with colorectal tumours prior to surgery. Five of these patients also had liver metastases at the time of the PET study. The SUV 56-60 min p.i. was included in the evaluation. A two-tissue compartment model was applied and the parameters k 1 -k 4 as well as the fractional blood volume (V B ) were obtained. The FDG influx was calculated from the compartment data. Non-compartment modelling was used to calculate the fractal dimension (FD) of the time-activity data. FD, SUV, influx and k 3 were the most important single parameters for lesion differentiation. The highest accuracy was achieved for FD (88.78%). The overall tracer uptake was mainly dependent on k 3 and not on k 1 or V B . The support vector machines (SVM) algorithm was used to predict the classification based on the combination of individual PET parameters. The overall accuracy was 97.3%, with only one false positive case and no false negative results. The analysis of the subgroup of five patients with primary tumours and synchronous metastases revealed no significant differences for the individual PET parameters. However, V B tended to be lower while k 1 and k 2 were higher in patients with synchronous metastases. The SVM classification analysis predicted the presence of metastases based on the PET data of the primary tumour in three of five patients. Quantitative FDG PET studies provide very accurate data for the differentiation of primary colorectal tumours from normal tissue. The use of quantitative data has the advantage that the detection of a colorectal tumour is not primarily dependent on the

Unsteady Bioconvection Squeezing Flow in a Horizontal Channel with Chemical Reaction and Magnetic Field Effects

Directory of Open Access Journals (Sweden)

Qingkai Zhao

2017-01-01

Full Text Available The time-dependent mixed bioconvection flow of an electrically conducting fluid between two infinite parallel plates in the presence of a magnetic field and a first-order chemical reaction is investigated. The fully coupled nonlinear systems describing the total mass, momentum, thermal energy, mass diffusion, and microorganisms equations are reduced to a set of ordinary differential equations via a set of new similarity transformations. The detailed analysis illustrating the influences of various physical parameters such as the magnetic, squeezing, and chemical reaction parameters and the Schmidt and Prandtl numbers on the distributions of temperature and microorganisms as well as the skin friction and the Nusselt number is presented. The conclusion is drawn that the flow field, temperature, and chemical reaction profiles are significantly influenced by magnetic parameter, heat generation/absorption parameter, and chemical parameter. Some examples of potential applications of such bioconvection could be found in pharmaceutical industry, microfluidic devices, microbial enhanced oil recovery, modeling oil, and gas-bearing sedimentary basins.

Assessing the importance of terrain parameters on glide avalanche release

Science.gov (United States)

Peitzsch, E.; Hendrikx, J.; Fagre, D. B.

2013-12-01

Glide snow avalanches are dangerous and difficult to predict. Despite recent research there is still a lack of understanding regarding the controls of glide avalanche release. Glide avalanches often occur in similar terrain or the same locations annually and observations suggest that topography may be critical. Thus, to gain an understanding of the terrain component of these types of avalanches we examined terrain parameters associated with glide avalanche release as well as areas of consistent glide crack formation but no subsequent avalanches. Glide avalanche occurrences visible from the Going-to-the-Sun Road corridor in Glacier National Park, Montana from 2003-2013 were investigated using an avalanche database derived of daily observations each year from April 1 to June 15. This yielded 192 glide avalanches in 53 distinct avalanche paths. Each avalanche occurrence was digitized in a GIS using satellite, oblique, and aerial imagery as reference. Topographical parameters such as area, slope, aspect, elevation and elevation were then derived for the entire dataset utilizing GIS tools and a 10m DEM. Land surface substrate and surface geology were derived from National Park Service Inventory and Monitoring maps and U.S. Geological Survey surface geology maps, respectively. Surface roughness and glide factor were calculated using a four level classification index. . Then, each avalanche occurrence was aggregated to general avalanche release zones and the frequencies were compared. For this study, glide avalanches released in elevations ranging from 1300 to 2700 m with a mean aspect of 98 degrees (east) and a mean slope angle of 38 degrees. The mean profile curvature for all glide avalanches was 0.15 and a plan curvature of -0.01, suggesting a fairly linear surface (i.e. neither convex nor concave). The glide avalanches occurred in mostly bedrock made up of dolomite and limestone slabs and talus deposits with very few occurring in alpine meadows. However, not all glide

Assessing the importance of terrain parameters on glide avalanche release

Science.gov (United States)

Peitzsch, Erich H.; Hendrikx, Jordy; Fagre, Daniel B.

2014-01-01

Glide snow avalanches are dangerous and difficult to predict. Despite recent research there is still a lack of understanding regarding the controls of glide avalanche release. Glide avalanches often occur in similar terrain or the same locations annually and observations suggest that topography may be critical. Thus, to gain an understanding of the terrain component of these types of avalanches we examined terrain parameters associated with glide avalanche release as well as areas of consistent glide crack formation but no subsequent avalanches. Glide avalanche occurrences visible from the Going-to-the-Sun Road corridor in Glacier National Park, Montana from 2003-2013 were investigated using an avalanche database derived of daily observations each year from April 1 to June 15. This yielded 192 glide avalanches in 53 distinct avalanche paths. Each avalanche occurrence was digitized in a GIS using satellite, oblique, and aerial imagery as reference. Topographical parameters such as area, slope, aspect, elevation and elevation were then derived for the entire dataset utilizing GIS tools and a 10m DEM. Land surface substrate and surface geology were derived from National Park Service Inventory and Monitoring maps and U.S. Geological Survey surface geology maps, respectively. Surface roughness and glide factor were calculated using a four level classification index. . Then, each avalanche occurrence was aggregated to general avalanche release zones and the frequencies were compared. For this study, glide avalanches released in elevations ranging from 1300 to 2700 m with a mean aspect of 98 degrees (east) and a mean slope angle of 38 degrees. The mean profile curvature for all glide avalanches was 0.15 and a plan curvature of -0.01, suggesting a fairly linear surface (i.e. neither convex nor concave). The glide avalanches occurred in mostly bedrock made up of dolomite and limestone slabs and talus deposits with very few occurring in alpine meadows. However, not all glide

Propagation of neutron-reaction uncertainties through multi-physics models of novel LWR's

Directory of Open Access Journals (Sweden)

Hernandez-Solis Augusto

2017-01-01

Full Text Available The novel design of the renewable boiling water reactor (RBWR allows a breeding ratio greater than unity and thus, it aims at providing for a self-sustained fuel cycle. The neutron reactions that compose the different microscopic cross-sections and angular distributions are uncertain, so when they are employed in the determination of the spatial distribution of the neutron flux in a nuclear reactor, a methodology should be employed to account for these associated uncertainties. In this work, the Total Monte Carlo (TMC method is used to propagate the different neutron-reactions (as well as angular distributions covariances that are part of the TENDL-2014 nuclear data (ND library. The main objective is to propagate them through coupled neutronic and thermal-hydraulic models in order to assess the uncertainty of important safety parameters related to multi-physics, such as peak cladding temperature along the axial direction of an RBWR fuel assembly. The objective of this study is to quantify the impact that ND covariances of important nuclides such as U-235, U-238, Pu-239 and the thermal scattering of hydrogen in H2O have in the deterministic safety analysis of novel nuclear reactors designs.

Impact Assessment of Effective Parameters on Drivers' Attention Level to Urban Traffic Signs

Science.gov (United States)

Kazemi, Mojtaba; Rahimi, Amir Masoud; Roshankhah, Sheida

2016-03-01

Traffic signs are one of the oldest safety and traffic control equipments. Drivers' reaction to installed signs is an important issue that could be studied using statistical models developed for target groups. There are 527 questionnaires have been filled up randomly in 45 days, some by drivers passing two northern cities of Iran and some by e-mail. Therefore, minimum sample size of 384 is fulfilled. In addition, Cronbach Alpha of more than 90 % verifies the questionnaire's validity. Ordinal logistic regression is used for 5-level answer variables. This relatively novel method predicts probability of different cases' considering other effective independent variables. There are 18 parameters of factor, man, vehicle, and environment are assessed and 5 parameters of number of accidents in last 5 years, occupation, driving time, number of accidents per day, and driving speed are eventually found as the most important ones. Age and gender, that are considered as key factors in other safety and accident studies, are not recognized as effective ones in this paper. The results could be useful for safety planning programs.

The important parameters of polyurethane's properties and preparation

International Nuclear Information System (INIS)

Rad, A.S.

2009-01-01

Polyurethane (PU) is a type of plastic rind is formed by reacting a polyol (a polymeric alcohol with more than. two reactive hydroxyl groups per molecule) with diisocyanates or polymeric isocyanate in the presence of suitable catalysts and additives. Variations in the number of substitutions and the spacing between and within branch chains produce PUs ranging from linear to branched and flexible to rigid. Linear PUs are used for the manufacture of fibers and molding. The structure of polyurethane can be medley containing 'hard' and 'soft' sect, which contribute to the harmony between rigid and elastomeric properties. The chemical composition and molecular weight distribution (MWD)- of the incorporated soft block influence the macroscopic properties of the resulting coating. In modifying the backbone structure of PU coatings it is necessary to consider the end use for the coating and the cost of modification: The properties of the modified PU coating, The resistance of the coating towards mechanical and The compatibility of the coating and the substrate over the temperature range of expected application and The between the benefits to be gained and the additional cost are the parameters that must be A surface functionalization of a synthetic polyurethane was carried out by using biofunctional moieties to obtain a material with the appropriate mechanical properties and processing conditions. (author)

Formation of flavour compounds in the Maillard reaction

NARCIS (Netherlands)

Boekel, van M.A.J.S.

2006-01-01

This paper discusses the importance of the Maillard reaction for food quality and focuses on flavour compound formation. The most important classes of Maillard flavour compounds are indicated and it is shown where they are formed in the Maillard reaction. Some emphasis is given on the kinetics of

Study of dynamics of glucose-glucose oxidase-ferricyanide reaction

Science.gov (United States)

Nováková, A.; Schreiberová, L.; Schreiber, I.

2011-12-01

This work is focused on dynamics of the glucose-glucose oxidase-ferricyanide enzymatic reaction with or without sodium hydroxide in a continuous-flow stirred tank reactor (CSTR) and in a batch reactor. This reaction exhibits pH-variations having autocatalytic character and is reported to provide nonlinear dynamic behavior (bistability, excitability). The dynamical behavior of the reaction was examined within a wide range of inlet parameters. The main inlet parameters were the ratio of concentrations of sodium hydroxide and ferricyanide and the flow rate. In a batch reactor we observed an autocatalytic drop of pH from slightly basic to medium acidic values. In a CSTR our aim was to find bistability in the presence of sodium hydroxide. However, only a basic steady state was found. In order to reach an acidic steady state, we investigated the system in the absence of sodium hydroxide. Under these conditions the transition from the basic to the acidic steady state was observed when inlet glucose concentration was increased.

Theoretical study of chemical reaction effects on vertical oscillating plate with variable temperature

Directory of Open Access Journals (Sweden)

Muthucumaraswamy R.

2006-01-01

Full Text Available An exact solution to the flow of a viscous incompressible unsteady flow past an infinite vertical oscillating plate with variable temperature and mass diffusion is presented here, taking into account of the homogeneous chemical reaction of first-order. Both the plate temperature and the concentration level near the plate are raised linearly with respect to time. The dimensionless governing equations has been obtained by the Laplace transform method, when the plate is oscillating harmonically in its own plane. The effects of velocity and concentration are studied for different parameters like phase angle, chemical reaction parameter, thermal Grashof number, mass Grashof number, Schmidt number and time are studied. The solutions are valid only for small values of time t. It is observed that the velocity increases with decreasing phase angle ωt or chemical reaction parameter. .

The rate coefficients of unimolecular reactions in the systems with power-law distributions

Science.gov (United States)

Yin, Cangtao; Guo, Ran; Du, Jiulin

2014-08-01

The rate coefficient formulae of unimolecular reactions are generalized to the systems with the power-law distributions based on nonextensive statistics, and the power-law rate coefficients are derived in the high and low pressure limits, respectively. The numerical analyses are made of the rate coefficients as functions of the ν-parameter, the threshold energy, the temperature and the number of degrees of freedom. We show that the new rate coefficients depend strongly on the ν-parameter different from one (thus from a Boltzmann-Gibbs distribution). Two unimolecular reactions, CH3CO→CH3+CO and CH3NC→CH3CN, are taken as application examples to calculate their power-law rate coefficients, which obtained with the ν-parameters slightly different from one can be exactly in agreement with all the experimental studies on these two reactions in the given temperature ranges.

A Method for the Determination of Bi-substrate Kinetic Coefficients: the Example of the b-D-glucose- NAD-GDH Enzymatic Reaction

Directory of Open Access Journals (Sweden)

Jean BERTHIER

2015-08-01

Full Text Available Colorimetric detection of glucose in sample liquids such as human plasma is made by using enzymatic reactions. Either glucose oxidase (GOX or glucose dehydrogenase (GDH can be used to convert glucose. In the multi reactional scheme, the first enzymatic reaction is determinant. We focused here on the study of the enzyme GDH together with the enzymatic cofactor NAD (nicotinamide adenine dinucleotide. This reaction falls in the category of ternary enzymatic reactions. Such reactions depend on four parameters. A method to determine these four parameters is presented in this work, based on a comparison between a series of experiments and the theory. The best values of the parameters are indicated.

Outcome of homogeneous and heterogeneous reactions in Darcy-Forchheimer flow with nonlinear thermal radiation and convective condition

Science.gov (United States)

Hayat, T.; Shah, Faisal; Alsaedi, A.; Hussain, Zakir

The present analysis aims to report the consequences of nonlinear radiation, convective condition and heterogeneous-homogeneous reactions in Darcy-Forchheimer flow over a non-linear stretching sheet with variable thickness. Non-uniform magnetic field and nonuniform heat generation/absorption are accounted. The governing boundary layer partial differential equations are converted into a system of nonlinear ordinary differential equations. The computations are organized and the effects of physical variables such as thickness parameter, power index, Hartman number, inertia and porous parameters, radiation parameter, Biot number, Prandtl number, ratio parameter, heat generation parameter and homogeneous-heterogeneous reaction parameter are investigated. The variations of skin friction coefficient and Nusselt number for different interesting variables are plotted and discussed. It is noticed that Biot number and heat generation variable lead to enhance the temperature distribution. The solutal boundary layer thickness decreases for larger homogeneous variable while reverse trend is seen for heterogeneous reaction.

Effects of Processing Parameters on the Fabrication of in-situ Al/TiC Composites by Thermally Activated Combustion Reaction Process in an Aluminium Melt using Al-TiO_2-C Powder Mixtures

International Nuclear Information System (INIS)

Kim, Hwa-Jung; Lee, Jung-Moo; Cho, Young-Hee; Kim, Jong-Jin; Kim, Su-Hyeon; Lee, Jae-Chul

2012-01-01

A feasible way to fabricate in-situ Al/TiC composites was investigated. An elemental mixture of Al-TiO_2-C pellet was directly added into an Al melt at 800-920°C to form TiC by self-combustion reaction. The addition of CuO initiates the self-combustion reaction to form TiC in 1-2 um at the melt temperature above 850°C. Besides the CuO addition, a diluent element of excess Al plays a significant role in the TiC formation by forming a precursor phase, Al_3Ti. Processing parameters such as CuO content, the amount of excess Al and the melt temperature, have affected the combustion reaction and formation of TiC, and their influences on the microstructures of in-situ Al/TiC composites are examined.

Analysis of the effects of reaction parameters upon the molecular weight of an aromatic poly(hydrazide) through experimental design

International Nuclear Information System (INIS)

Gomes, Dominique; Pinto, Jose Carlos; Borges, Cristiano P.; Nunes, Suzana P.

2001-01-01

Samples of an aromatic poly(hydrazide) were synthesized through low temperature solution polycondensation reactions. Monomers were characterized by nuclear magnetic resonance (NMR) and thermal analysis. The polymer material was characterized by intrinsic viscosity measurements and by NMR. The thermal behavior of the polymer samples was studied by thermal gravimetric analysis (TGA) and differential scanning calorimetry (DSC). The effect of various factors that influence the course of the polymerization reaction, such as concentration of monomer and electrolyte (LiCl) in the reaction medium, purity of the monomers, reaction temperature and reaction time, were investigated. Reaction conditions were then optimized in order to allow the preparation of high molecular weight polymer resins. Values of intrinsic viscosity obtained for the poly(hydrazide) in N-methyl-2-pyrrolidone were as high as 1.51 dL/g. (author)

Systematics of excitation functions for (n, charged particle) reactions

International Nuclear Information System (INIS)

Zhao Zhixiang; Zhou Delin

1986-06-01

On the bases of evaporation model considering the preequilibrium emission under some approximations, the analytical expressions including two adjustable parameters have been derived for excitation functions of (n, charged particle) reactions. Fitting these expressions to the available measured data, these parameters have been extracted and the systematic behaviour of the parameters have been studied. More accurate predictions than before could be obtained by using these expressions and systematic parameters. In the present work the neutron energy is considered up to about 20 MeV and the target mass region is 23< A<197

Determining "small parameters" for quasi-steady state

Science.gov (United States)

Goeke, Alexandra; Walcher, Sebastian; Zerz, Eva

2015-08-01

For a parameter-dependent system of ordinary differential equations we present a systematic approach to the determination of parameter values near which singular perturbation scenarios (in the sense of Tikhonov and Fenichel) arise. We call these special values Tikhonov-Fenichel parameter values. The principal application we intend is to equations that describe chemical reactions, in the context of quasi-steady state (or partial equilibrium) settings. Such equations have rational (or even polynomial) right-hand side. We determine the structure of the set of Tikhonov-Fenichel parameter values as a semi-algebraic set, and present an algorithmic approach to their explicit determination, using Groebner bases. Examples and applications (which include the irreversible and reversible Michaelis-Menten systems) illustrate that the approach is rather easy to implement.

Fluid phase equilibria of the reaction mixture during the selective hydrogenation of 2-butenal in dense carbon dioxide

DEFF Research Database (Denmark)

Musko, Nikolai; Jensen, Anker Degn; Baiker, Alfons

2012-01-01

Knowledge of the phase behaviour and composition is of paramount importance for understanding multiphase reactions. We have investigated the effect of the phase behaviour in the palladium-catalysed selective hydrogenation of 2-butenal to saturated butanal in dense carbon dioxide. The reactions were...... cell. The results of the catalytic experiments showed that small amounts of carbon dioxide added to the system significantly decrease the conversion, whereas at higher loadings of CO2 the reaction rate gradually increases reaching a maximum. The CPA calculations revealed that this maximum is achieved...... performed using a 5wt% Pd on activated carbon in custom-designed high pressure autoclaves at 323K. The Cubic-Plus-Association (CPA) equation of state was employed to model the phase behaviour of the experimentally studied systems. CPA binary interaction parameters were estimated based on the experimental...

Effects of correlated parameters and uncertainty in electronic-structure-based chemical kinetic modelling

Science.gov (United States)

Sutton, Jonathan E.; Guo, Wei; Katsoulakis, Markos A.; Vlachos, Dionisios G.

2016-04-01

Kinetic models based on first principles are becoming common place in heterogeneous catalysis because of their ability to interpret experimental data, identify the rate-controlling step, guide experiments and predict novel materials. To overcome the tremendous computational cost of estimating parameters of complex networks on metal catalysts, approximate quantum mechanical calculations are employed that render models potentially inaccurate. Here, by introducing correlative global sensitivity analysis and uncertainty quantification, we show that neglecting correlations in the energies of species and reactions can lead to an incorrect identification of influential parameters and key reaction intermediates and reactions. We rationalize why models often underpredict reaction rates and show that, despite the uncertainty being large, the method can, in conjunction with experimental data, identify influential missing reaction pathways and provide insights into the catalyst active site and the kinetic reliability of a model. The method is demonstrated in ethanol steam reforming for hydrogen production for fuel cells.

Re-examining the 26Mg(α ,α')26Mg reaction: Probing astrophysically important states in 26Mg

Science.gov (United States)

Adsley, P.; Brümmer, J. W.; Li, K. C. W.; Marín-Lámbarri, D. J.; Kheswa, N. Y.; Donaldson, L. M.; Neveling, R.; Papka, P.; Pellegri, L.; Pesudo, V.; Pool, L. C.; Smit, F. D.; van Zyl, J. J.

2017-11-01

Background: The 22Ne(α ,n )25Mg reaction is one of the neutron sources for the s process in massive stars. The properties of levels in 26Mg above the α -particle threshold control the strengths of the 22Ne(α ,n )25Mg and 22Ne(α ,γ )26Mg reactions. The strengths of these reactions as functions of temperature are one of the major uncertainties in the s process. Purpose: Information on the existence, spin, and parity of levels in 26Mg can assist in constraining the strengths of the 22Ne(α ,γ )26Mg and 22Ne(α ,n )25Mg reactions, and therefore in constraining s -process abundances. Methods: Inelastically scattered α particles from a 26Mg target were momentum-analyzed in the K600 magnetic spectrometer at iThemba LABS, South Africa. The differential cross sections of states were deduced from the focal-plane trajectory of the scattered α particles. Based on the differential cross sections, spin and parity assignments to states are made. Results: A newly assigned 0+ state was observed in addition to a number of other states, some of which can be associated with states observed in other experiments. Some of the deduced Jπ values of the states observed in the present study show discrepancies with those assigned in a similar experiment performed at RCNP Osaka. The reassignments and additions of the various states can strongly affect the reaction rate at low temperatures. Conclusion: The number, location, and assignment of levels in 26Mg that may contribute to the 22Ne+α reactions are not clear. Future experimental investigations of 26Mg must have an extremely good energy resolution to separate the contributions from different levels. Coincidence experiments of 26Mg provide a possible route for future investigations.

Determination of kinetic parameters for borohydride oxidation on a rotating Au disk electrode

International Nuclear Information System (INIS)

Cheng, H.; Scott, K.

2006-01-01

Borohydride oxidation has been investigated using a rotating disk electrode technique. The parameters, such as apparent rate constant, Tafel slope, Levich slope, number of electrons exchanged and reaction order, have been determined. The borohydride ion is oxidised on the gold electrode with an electrochemical rate constant of around 1 cm s -1 at intermediate potentials where side reactions had less effect. Influences of temperature, concentrations of borohydride and supporting electrolyte (NaOH) on the parameters were evaluated

Hydrolysis of Surfactants Containing Ester Bonds: Modulation of Reaction Kinetics and Important Aspects of Surfactant Self-Assembly

Science.gov (United States)

Lundberg, Dan; Stjerndahl, Maria

2011-01-01

The effects of self-assembly on the hydrolysis kinetics of surfactants that contain ester bonds are discussed. A number of examples on how reaction rates and apparent reaction orders can be modulated by changes in the conditions, including an instance of apparent zero-order kinetics, are presented. Furthermore, it is shown that the examples on…

The importance of correct specification of tribological parameters in dynamical systems modelling

Science.gov (United States)

Alaci, S.; Ciornei, F. C.; Romanu, I. C.; Ciornei, M. C.

2018-01-01

When modelling the behaviour of dynamical systems, the friction phenomenon cannot be neglected. Dry and fluid friction may occur, but dry friction has more severe effects upon the behaviour of the systems, based on the fact that the introduced discontinuities are more important. In the modelling of dynamical systems, dry friction is the main cause of occurrence of the bifurcation phenomenon. These aspects become more complex if, in the case of dry friction, static and dynamic frictions are put forward. The behaviour of a simple dynamical system is studied, consisting in a prismatic body linked to the ground by a spring, placed on a conveyor belt. The theoretical model is described by a nonlinear differential equation which after numerical integration leads to the conclusion that the steady motion of the prism is an un-damped oscillatory motion. The system was qualitatively modelled using specialised software for dynamical analysis. It was impractical to obtain a steady uniform translational motion of a rigid, therefore the conveyor belt was replaced by a metallic disc in uniform rotation motion. The attempts to compare the CAD model to the theoretical model were unsuccessful because the efforts of selecting the tribological parameters directed to the conclusion that the motion of the prism is a damped oscillation. To decide which of the methods depicts reality, a test-rig was assembled and it indicated a sustained oscillation. The conclusion is that the model employed by the dynamical analysis software cannot describe the actual model and a more complex model is required in the description of the friction phenomenon.

Multiscale Informatics for Low-Temperature Propane Oxidation: Further Complexities in Studies of Complex Reactions

Energy Technology Data Exchange (ETDEWEB)

Burke, Michael P.; Goldsmith, C. Franklin; Klippenstein, Stephen J.; Welz, Oliver; Huang, Haifeng; Antonov, Ivan O.; Savee, John D.; Osborn, David L.; Zádor, Judit; Taatjes, Craig A.; Sheps, Leonid

2015-07-16

We have developed a multi-scale approach (Burke, M. P.; Klippenstein, S. J.; Harding, L. B. Proc. Combust. Inst. 2013, 34, 547–555.) to kinetic model formulation that directly incorporates elementary kinetic theories as a means to provide reliable, physics-based extrapolation to unexplored conditions. Here, we extend and generalize the multi-scale modeling strategy to treat systems of considerable complexity – involving multi-well reactions, potentially missing reactions, non-statistical product branching ratios, and non-Boltzmann (i.e. non-thermal) reactant distributions. The methodology is demonstrated here for a subsystem of low-temperature propane oxidation, as a representative system for low-temperature fuel oxidation. A multi-scale model is assembled and informed by a wide variety of targets that include ab initio calculations of molecular properties, rate constant measurements of isolated reactions, and complex systems measurements. Active model parameters are chosen to accommodate both “parametric” and “structural” uncertainties. Theoretical parameters (e.g. barrier heights) are included as active model parameters to account for parametric uncertainties in the theoretical treatment; experimental parameters (e.g. initial temperatures) are included to account for parametric uncertainties in the physical models of the experiments. RMG software is used to assess potential structural uncertainties due to missing reactions. Additionally, branching ratios among product channels are included as active model parameters to account for structural uncertainties related to difficulties in modeling sequences of multiple chemically activated steps. The approach is demonstrated here for interpreting time-resolved measurements of OH, HO2, n-propyl, i-propyl, propene, oxetane, and methyloxirane from photolysis-initiated low-temperature oxidation of propane at pressures from 4 to 60 Torr and temperatures from 300 to 700 K. In particular, the multi-scale informed

Cross section asymmetry of deuteron photodesintegration reaction with polarized gamma quanta

International Nuclear Information System (INIS)

Gorbenko, V.G.; Zhebrovskij, Yu.V.; Kolesnikov, L.Ya.; Rubashkin, A.L.; Sorokin, P.V.

1982-01-01

The parameters of the reaction cross section asymmetry are determined to investigate the γ+d → n+p reaction. The measurements are exercised on a beam of linearly polarized photons of a linear 2 GeV electron accelerator by means of two magnetic spectrometers in the Esub(γ)=80-600 MeV energy range for 75-105 deg angles of proton escape in scm. The flowsheet of an experimental facility is presented. Technique of the experiment execution is presented. The obtained values of the cross section asymmetry parameter are presented in the table form for the 75, 90, 105, 120, 135, 150 deg angles. Calculation of the differential cross sections is carried out in pulse approximation. Energy Dependence and angutar distribUtions of the cross section asymmetry parameter of the investigated reaction are presented graphically. The obtained results are compared with the present experimental and theoretical data at 80 and 300 MeV photon energy. The comparison has revealed that none of the calculation methods is more preferable as well as no simple conclusion can be made on the existence of dibarin resonances

Study the effect of chemical reaction and variable viscosity on free convection MHD radiating flow over an inclined plate bounded by porous medium

Energy Technology Data Exchange (ETDEWEB)

Ali, M., E-mail: ali.mehidi93@gmail.com [Department of Mathematics, Bangladesh University of Engineering and Technology, Dhaka-1000 (Bangladesh); Department of Mathematics, Chittagong University of Engineering and Technology, Chittagong-4349 (Bangladesh); Alim, M. A., E-mail: maalim@math.buet.ac.bd; Nasrin, R., E-mail: rehena@math.buet.ac.bd [Department of Mathematics, Bangladesh University of Engineering and Technology, Dhaka-1000 (Bangladesh); Alam, M. S., E-mail: shahalammaths@gmail.com [Department of Mathematics, Chittagong University of Engineering and Technology, Chittagong-4349 (Bangladesh)

2016-07-12

An analysis is performed to study the free convection heat and mass transfer flow of an electrically conducting incompressible viscous fluid about a semi-infinite inclined porous plate under the action of radiation, chemical reaction in presence of magnetic field with variable viscosity. The dimensionless governing equations are steady, two-dimensional coupled and non-linear ordinary differential equation. Nachtsgeim-Swigert shooting iteration technique along with Runge-Kutta integration scheme is used to solve the non-dimensional governing equations. The effects of magnetic parameter, viscosity parameter and chemical reaction parameter on velocity, temperature and concentration profiles are discussed numerically and shown graphically. Therefore, the results of velocity profile decreases for increasing values of magnetic parameter and viscosity parameter but there is no effect for reaction parameter. The temperature profile decreases in presence of magnetic parameter, viscosity parameter and Prandtl number but increases for radiation parameter. Also, concentration profile decreases for the increasing values of magnetic parameter, viscosity parameter and reaction parameter. All numerical calculations are done with respect to salt water and fixed angle of inclination of the plate.

Study the effect of chemical reaction and variable viscosity on free convection MHD radiating flow over an inclined plate bounded by porous medium

International Nuclear Information System (INIS)

Ali, M.; Alim, M. A.; Nasrin, R.; Alam, M. S.

2016-01-01

An analysis is performed to study the free convection heat and mass transfer flow of an electrically conducting incompressible viscous fluid about a semi-infinite inclined porous plate under the action of radiation, chemical reaction in presence of magnetic field with variable viscosity. The dimensionless governing equations are steady, two-dimensional coupled and non-linear ordinary differential equation. Nachtsgeim-Swigert shooting iteration technique along with Runge-Kutta integration scheme is used to solve the non-dimensional governing equations. The effects of magnetic parameter, viscosity parameter and chemical reaction parameter on velocity, temperature and concentration profiles are discussed numerically and shown graphically. Therefore, the results of velocity profile decreases for increasing values of magnetic parameter and viscosity parameter but there is no effect for reaction parameter. The temperature profile decreases in presence of magnetic parameter, viscosity parameter and Prandtl number but increases for radiation parameter. Also, concentration profile decreases for the increasing values of magnetic parameter, viscosity parameter and reaction parameter. All numerical calculations are done with respect to salt water and fixed angle of inclination of the plate.

Cofactors in allergic reactions to food : physical exercise and alcohol are the most important

NARCIS (Netherlands)

Versluis, Astrid; van Os-Medendorp, Harmieke; Kruizinga, Astrid G; Blom, W Marty; Houben, Geert F; Knulst, André C

2016-01-01

INTRODUCTION: Involvement of cofactors, like physical exercise, alcohol consumption and use of several types of medication, are associated with more severe food allergic symptoms. However, there is limited evidence on how often cofactors play a role in food allergic reactions. The study aimed to get

Catalyst Stability Benchmarking for the Oxygen Evolution Reaction: The Importance of Backing Electrode Material and Dissolution in Accelerated Aging Studies.

Science.gov (United States)

Geiger, Simon; Kasian, Olga; Mingers, Andrea M; Nicley, Shannon S; Haenen, Ken; Mayrhofer, Karl J J; Cherevko, Serhiy

2017-09-18

In searching for alternative oxygen evolution reaction (OER) catalysts for acidic water splitting, fast screening of the material intrinsic activity and stability in half-cell tests is of vital importance. The screening process significantly accelerates the discovery of new promising materials without the need of time-consuming real-cell analysis. In commonly employed tests, a conclusion on the catalyst stability is drawn solely on the basis of electrochemical data, for example, by evaluating potential-versus-time profiles. Herein important limitations of such approaches, which are related to the degradation of the backing electrode material, are demonstrated. State-of-the-art Ir-black powder is investigated for OER activity and for dissolution as a function of the backing electrode material. Even at very short time intervals materials like glassy carbon passivate, increasing the contact resistance and concealing the degradation phenomena of the electrocatalyst itself. Alternative backing electrodes like gold and boron-doped diamond show better stability and are thus recommended for short accelerated aging investigations. Moreover, parallel quantification of dissolution products in the electrolyte is shown to be of great importance for comparing OER catalyst feasibility. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Life cycle assessment and residue leaching: the importance of parameter, scenario and leaching data selection.

Science.gov (United States)

Allegrini, E; Butera, S; Kosson, D S; Van Zomeren, A; Van der Sloot, H A; Astrup, T F

2015-04-01

Residues from industrial processes and waste management systems (WMSs) have been increasingly reutilised, leading to landfilling rate reductions and the optimisation of mineral resource utilisation in society. Life cycle assessment (LCA) is a holistic methodology allowing for the analysis of systems and products and can be applied to waste management systems to identify environmental benefits and critical aspects thereof. From an LCA perspective, residue utilisation provides benefits such as avoiding the production and depletion of primary materials, but it can lead to environmental burdens, due to the potential leaching of toxic substances. In waste LCA studies where residue utilisation is included, leaching has generally been neglected. In this study, municipal solid waste incineration bottom ash (MSWI BA) was used as a case study into three LCA scenarios having different system boundaries. The importance of data quality and parameter selection in the overall LCA results was evaluated, and an innovative method to assess metal transport into the environment was applied, in order to determine emissions to the soil and water compartments for use in an LCA. It was found that toxic impacts as a result of leaching were dominant in systems including only MSWI BA utilisation, while leaching appeared negligible in larger scenarios including the entire waste system. However, leaching could not be disregarded a priori, due to large uncertainties characterising other activities in the scenario (e.g. electricity production). Based on the analysis of relevant parameters relative to leaching, and on general results of the study, recommendations are provided regarding the use of leaching data in LCA studies. Copyright © 2014 Elsevier Ltd. All rights reserved.

Spallation reactions; Reactions de spallation

Energy Technology Data Exchange (ETDEWEB)

Cugon, J.

1996-12-31

Spallation reactions dominate the interactions of hadrons with nuclei in the GeV range (from {approx} 0.1 to {approx} 10 GeV). They correspond to a sometimes important ejection of light particles leaving most of the time a residue of mass commensurate with the target mass. The main features of the experimental data are briefly reviewed. The most successful theoretical model, namely the intranuclear cascade + evaporation model, is presented. Its physical content, results and possible improvements are critically discussed. Alternative approaches are shortly reviewed. (author). 84 refs.

Collective phenomena in the Au (150 - 400 A MeV) + Au reactions at very low impact parameters; Phenomenes collectifs dans les reactions Au (150 - 400 A MeV) + Au a tres faibles parametres d`impact

Energy Technology Data Exchange (ETDEWEB)

Roy, CH

1996-02-07

In this work, we present a study concerning some collective phenomena in highly central Au (150 - 400 A MeV) + Au collisions, measured with the FOPI detector. The selection of the central reactions is performed by applying a criterion whose definition is based on the concept that low impact parameter reactions imply the non-existence of projectile and target remnants. The analysis of the center-of-mass polar angular distributions indicates that fragments (Z {<=} 3) are emitted preferentially in the direction transverse to the be beam axis. The shape of these distributions depends strongly on the degree of stopping of the nuclear matter. In the Quantum Molecular Dynamics (QMD) calculations, this phenomenon is mainly parameterized with the nucleon-nucleon cross-section ({sigma}{sub nn}). The comparison of the experimental polar angle distributions with those predicted by QMD suggests a value of 30 mb for {sigma}{sub nn} to reproduce the experimental trend observed at 150 A MeV incident energy. A simulation of a thermal source whose expansion is partially governed by a transverse flow indicates that the collective energy represents about 75 % of the total transverse energy ({approx} 65 % at 250 and 400 A MeV). (author). 102 refs.

The Pozzolanic reaction of silica fume

DEFF Research Database (Denmark)

Jensen, Ole Mejlhede

2012-01-01

Silica fume is a very important supplementary cementitious binder in High-Performance and Ultra High-Performance Concretes. Through its pozzolanic reaction the silica fume densifies the concrete micro-structure, in particular it strengthens the paste-aggregate interfacial transition zone. In the ......Silica fume is a very important supplementary cementitious binder in High-Performance and Ultra High-Performance Concretes. Through its pozzolanic reaction the silica fume densifies the concrete micro-structure, in particular it strengthens the paste-aggregate interfacial transition zone....... In the present paper different aspects of the pozzolanic reaction of silica fume are investigated. These include chemical shrinkage, isothermal heat development and strength development. Key data for these are given and compared with theoretical calculations, and based on presented measurements the energy...

Sequential charged particle reaction

International Nuclear Information System (INIS)

Hori, Jun-ichi; Ochiai, Kentaro; Sato, Satoshi; Yamauchi, Michinori; Nishitani, Takeo

2004-01-01

The effective cross sections for producing the sequential reaction products in F82H, pure vanadium and LiF with respect to the 14.9-MeV neutron were obtained and compared with the estimation ones. Since the sequential reactions depend on the secondary charged particles behavior, the effective cross sections are corresponding to the target nuclei and the material composition. The effective cross sections were also estimated by using the EAF-libraries and compared with the experimental ones. There were large discrepancies between estimated and experimental values. Additionally, we showed the contribution of the sequential reaction on the induced activity and dose rate in the boundary region with water. From the present study, it has been clarified that the sequential reactions are of great importance to evaluate the dose rates around the surface of cooling pipe and the activated corrosion products. (author)

A contribution to the study of the hydrogen evolution reaction on tungsten under water electrolysis conditions

International Nuclear Information System (INIS)

Tanaka, A.A.; Avaca, L.A.; Gonzalez, E.R.

1984-01-01

Tungsten, electrodeposited on mild steel from aqueous solutions, has been shown to behave similarly to electroplated nickel when used as a cathode in 28% KOH at 60 0 C and current densities of the order of 135 mA cm -2 . When compared with bare mild steel the tungsten cathodes present an overpotential 50mV higher, but this is largely compensated by the extremely higher chemical stability of the deposits in the electrolyte. This is particularly important when the electrolyzer is going to be used in an intermittent fashion. In the present work, the hydrogen evolution reaction was studied on pure and electrodeposited tungsten electrodes in alkaline solutions through the recording of steady-state polarization curves. By comparison of the experimental electrochemical parameters with those predicted by theory, it was established that the mechanism of the reaction is of the type Volmer-Heyrowsky, with the electrochemical desorption reaction being the rate determining step

Standardization of a two-step real-time polymerase chain reaction based method for species-specific detection of medically important Aspergillus species.

Science.gov (United States)

Das, P; Pandey, P; Harishankar, A; Chandy, M; Bhattacharya, S; Chakrabarti, A

2017-01-01

Standardization of Aspergillus polymerase chain reaction (PCR) poses two technical challenges (a) standardization of DNA extraction, (b) optimization of PCR against various medically important Aspergillus species. Many cases of aspergillosis go undiagnosed because of relative insensitivity of conventional diagnostic methods such as microscopy, culture or antigen detection. The present study is an attempt to standardize real-time PCR assay for rapid sensitive and specific detection of Aspergillus DNA in EDTA whole blood. Three nucleic acid extraction protocols were compared and a two-step real-time PCR assay was developed and validated following the recommendations of the European Aspergillus PCR Initiative in our setup. In the first PCR step (pan-Aspergillus PCR), the target was 28S rDNA gene, whereas in the second step, species specific PCR the targets were beta-tubulin (for Aspergillus fumigatus, Aspergillus flavus, Aspergillus terreus), gene and calmodulin gene (for Aspergillus niger). Species specific identification of four medically important Aspergillus species, namely, A. fumigatus, A. flavus, A. niger and A. terreus were achieved by this PCR. Specificity of the PCR was tested against 34 different DNA source including bacteria, virus, yeast, other Aspergillus sp., other fungal species and for human DNA and had no false-positive reactions. The analytical sensitivity of the PCR was found to be 102 CFU/ml. The present protocol of two-step real-time PCR assays for genus- and species-specific identification for commonly isolated species in whole blood for diagnosis of invasive Aspergillus infections offers a rapid, sensitive and specific assay option and requires clinical validation at multiple centers.

Shell Effect and Temperature Influence on Nuclear Level Density Parameter: the role of the effective mass interaction

International Nuclear Information System (INIS)

Queipo-Ruiz, J.; Guzman-Martinez, F.; Rodriguez-Hoyos, O.

2011-01-01

The level density parameter is a very important ingredient in statistic study of nuclear reaction, it has been studied to low energies excitation E < 2MeV where it values is approximately constant, experimental results to energies of excitation more than 2 MeV has been obtained of evaporation spectrum, to nuclei with A=160. In this work we present a calculation of densities level parameter, for a wide range of mass and temperature, taking in accounts the shell effects and the mass effective interaction. The result has been carried out within the semi classical approximation, for the single particle level densities. We results have a reasonable agreement with the experimental data available. (Author)

The importance of parameter variances, correlations lengths, and cross-correlations in reactive transport models: key considerations for assessing the need for microscale information

Energy Technology Data Exchange (ETDEWEB)

Reimus, Paul W [Los Alamos National Laboratory

2010-12-08

A process-oriented modeling approach is implemented to examine the importance of parameter variances, correlation lengths, and especially cross-correlations in contaminant transport predictions over large scales. It is shown that the most important consideration is the correlation between flow rates and retardation processes (e.g., sorption, matrix diffusion) in the system. lf flow rates are negatively correlated with retardation factors in systems containing multiple flow pathways, then characterizing these negative correlation(s) may have more impact on reactive transport modeling than microscale information. Such negative correlations are expected in porous-media systems where permeability is negatively correlated with clay content and rock alteration (which are usually associated with increased sorption). Likewise, negative correlations are expected in fractured rocks where permeability is positively correlated with fracture apertures, which in turn are negatively correlated with sorption and matrix diffusion. Parameter variances and correlation lengths are also shown to have important effects on reactive transport predictions, but they are less important than parameter cross-correlations. Microscale information pertaining to contaminant transport has become more readily available as characterization methods and spectroscopic instrumentation have achieved lower detection limits, greater resolution, and better precision. Obtaining detailed mechanistic insights into contaminant-rock-water interactions is becoming a routine practice in characterizing reactive transport processes in groundwater systems (almost necessary for high-profile publications). Unfortunately, a quantitative link between microscale information and flow and transport parameter distributions or cross-correlations has not yet been established. One reason for this is that quantitative microscale information is difficult to obtain in complex, heterogeneous systems. So simple systems that lack the

Kinetics and Mechanism of the Reaction of Coherently Synchronized Oxidation and Dehydrogenation of Cyclohexane by Hydrogen Peroxide

Directory of Open Access Journals (Sweden)

Aghamammadova S.

2016-01-01

Based on this experimental researches, the complex reaction, consisting of parallel-sequential oxidation and dehydrogenation reactions, which are coherently synchronized, proceeds during the process of cyclohexane oxidation with biomimetic catalyst. Depending on the reaction parameters it is possible to deliberately adjust the direction of oxidation reaction and reaction rate.

Ambulatory Measurement of Ground Reaction Forces

NARCIS (Netherlands)

Veltink, Peter H.; Liedtke, Christian; Droog, Ed

2004-01-01

The measurement of ground reaction forces is important in the biomechanical analysis of gait and other motor activities. It is the purpose of this study to show the feasibility of ambulatory measurement of ground reaction forces using two six degrees of freedom sensors mounted under the shoe. One

Unimolecular reaction dynamics of free radicals

International Nuclear Information System (INIS)

Terry A. Miller

2006-01-01

Free radical reactions are of crucial importance in combustion and in atmospheric chemistry. Reliable theoretical models for predicting the rates and products of these reactions are required for modeling combustion and atmospheric chemistry systems. Unimolecular reactions frequently play a crucial role in determining final products. The dissociations of vinyl, CH2= CH, and methoxy, CH3O, have low barriers, about 13,000 cm-1 and 8,000 cm-1, respectively. Since barriers of this magnitude are typical of free radicals these molecules should serve as benchmarks for this important class of reactions. To achieve this goal, a detailed understanding of the vinyl and methoxy radicals is required. Results for dissociation dynamics of vinyl and selectively deuterated vinyl radical are reported. Significantly, H-atom scrambling is shown not to occur in this reaction. A large number of spectroscopic experiments for CH3O and CHD2O have been performed. Spectra recorded include laser induced fluorescence (LIF), laser excited dispersed fluorescence (LEDF), fluorescence dip infrared (FDIR) and stimulated emission pumping (SEP). Such results are critical for implementing dynamics experiments involving the dissociation of methoxy

Characterization of ESIPT reactions with instant spectra of fluorescence and complexation processes

International Nuclear Information System (INIS)

Tomin, Vladimir I.; Ushakou, Dzmitryi V.

2016-01-01

Proton transfer processes and especially excited-state intramolecular proton transfer (ESIPT) are of interest not only in physical studies but in a wide range of biological and chemical researches, since they play an important role in different fundamental reactions. Moreover, occurrence of ESIPT very often causes two-bands emission spectra corresponding to the normal and photoproduct (tautomer) forms of molecular structure. It allows carrying out unique measurement of microcharacteristics in chemical and biological researches by using substances with ESIPT as molecular probes, because its dual emission is very sensitive to parameters of microenvironment. Dual fluorescence signal is very convenient for two wavelength ratiometric measurements as they are more sensitive to variations of sample characteristics. Recently new approach for revealing type of excited state reaction which is based on analysis of dynamic changes of relative intensities in instant spectra of fluorescence ESIPT solutes was suggested and tested for neat solutions. Now we generalize this method on solutions in which ESIPT solute may participate also in creating fluorescent complexes. We demonstrate that relative intensities of instant spectra of fluorescence registered with high time resolution allow to get valuable information referring to type of excited state reaction in which dye may undergo complexation reactions with ions in solvent. In addition we show how it is possible in such case to determine characteristics of complexation as, for example, stability constant and efficiency of complexation.

Reactions of nitrate salts with ammonia in supercritical water

International Nuclear Information System (INIS)

Dell'Orco, P.C.; Gloyna, E.F.; Buelow, S.J.

1997-01-01

Reactions involving nitrate salts and ammonia were investigated in supercritical water at temperatures from 450 to 530 C and pressures near 300 bar. Reaction products included nitrite, nitrogen gas, and nitrous oxide. Observed reaction rates and product distributions provided evidence for a free-radical reaction mechanism with NO 2 , NO, and NH 2 · as the primary reactive species at supercritical conditions. In the proposed elementary mechanism, the rate-limiting reaction step was determined to be the hydrolysis of MNO 3 species, which resulted in the formation of nitric acid and subsequently NO 2 . A simple second-order reaction model was used to represent the data. In developing an empirical kinetic model, nitrate and nitrate were lumped as an NO x - reactant. Empirical kinetic parameters were developed for four MNO x /NH 3 reacting systems, assuming first orders in both NH 3 and NO x - . Observed MNO x /NH 3 reaction rates and mechanisms suggest immediately a practical significance of these reactions for nitrogen control strategies in supercritical water oxidation processes

Applying data mining techniques to determine important parameters in chronic kidney disease and the relations of these parameters to each other.

Science.gov (United States)

Tahmasebian, Shahram; Ghazisaeedi, Marjan; Langarizadeh, Mostafa; Mokhtaran, Mehrshad; Mahdavi-Mazdeh, Mitra; Javadian, Parisa

2017-01-01

Introduction: Chronic kidney disease (CKD) includes a wide range of pathophysiological processes which will be observed along with abnormal function of kidneys and progressive decrease in glomerular filtration rate (GFR). According to the definition decreasing GFR must have been present for at least three months. CKD will eventually result in end-stage kidney disease. In this process different factors play role and finding the relations between effective parameters in this regard can help to prevent or slow progression of this disease. There are always a lot of data being collected from the patients' medical records. This huge array of data can be considered a valuable source for analyzing, exploring and discovering information. Objectives: Using the data mining techniques, the present study tries to specify the effective parameters and also aims to determine their relations with each other in Iranian patients with CKD. Material and Methods: The study population includes 31996 patients with CKD. First, all of the data is registered in the database. Then data mining tools were used to find the hidden rules and relationships between parameters in collected data. Results: After data cleaning based on CRISP-DM (Cross Industry Standard Process for Data Mining) methodology and running mining algorithms on the data in the database the relationships between the effective parameters was specified. Conclusion: This study was done using the data mining method pertaining to the effective factors on patients with CKD.

Quantification of the degree of reaction of fly ash

International Nuclear Information System (INIS)

Ben Haha, M.; De Weerdt, K.; Lothenbach, B.

2010-01-01

The quantification of the fly ash (FA) in FA blended cements is an important parameter to understand the effect of the fly ash on the hydration of OPC and on the microstructural development. The FA reaction in two different blended OPC-FA systems was studied using a selective dissolution technique based on EDTA/NaOH, diluted NaOH solution, the portlandite content and by backscattered electron image analysis. The amount of FA determined by selective dissolution using EDTA/NaOH is found to be associated with a significant possible error as different assumptions lead to large differences in the estimate of FA reacted. In addition, at longer hydration times, the reaction of the FA is underestimated by this method due to the presence of non-dissolved hydrates and MgO rich particles. The dissolution of FA in diluted NaOH solution agreed during the first days well with the dissolution as observed by image analysis. At 28 days and longer, the formation of hydrates in the diluted solutions leads to an underestimation. Image analysis appears to give consistent results and to be most reliable technique studied.

Mixing effects on apparent reaction rates and isotope fractionation during denitrification in a heterogeneous aquifer

Science.gov (United States)

Green, Christopher T.; Böhlke, John Karl; Bekins, Barbara A.; Phillips, Steven P.

2010-01-01

Gradients in contaminant concentrations and isotopic compositions commonly are used to derive reaction parameters for natural attenuation in aquifers. Differences between field‐scale (apparent) estimated reaction rates and isotopic fractionations and local‐scale (intrinsic) effects are poorly understood for complex natural systems. For a heterogeneous alluvial fan aquifer, numerical models and field observations were used to study the effects of physical heterogeneity on reaction parameter estimates. Field measurements included major ions, age tracers, stable isotopes, and dissolved gases. Parameters were estimated for the O2 reduction rate, denitrification rate, O2 threshold for denitrification, and stable N isotope fractionation during denitrification. For multiple geostatistical realizations of the aquifer, inverse modeling was used to establish reactive transport simulations that were consistent with field observations and served as a basis for numerical experiments to compare sample‐based estimates of “apparent” parameters with “true“ (intrinsic) values. For this aquifer, non‐Gaussian dispersion reduced the magnitudes of apparent reaction rates and isotope fractionations to a greater extent than Gaussian mixing alone. Apparent and true rate constants and fractionation parameters can differ by an order of magnitude or more, especially for samples subject to slow transport, long travel times, or rapid reactions. The effect of mixing on apparent N isotope fractionation potentially explains differences between previous laboratory and field estimates. Similarly, predicted effects on apparent O2threshold values for denitrification are consistent with previous reports of higher values in aquifers than in the laboratory. These results show that hydrogeological complexity substantially influences the interpretation and prediction of reactive transport.

Polarization transfer in (d-vector,n-vector) reactions

International Nuclear Information System (INIS)

Walter, R.L.; Tornow, W.

1986-01-01

The status of the measurements and the role of polarization transfer coefficients for (d/sup →/,n/sup →/) reactions is reviewed. Emphasis is given to reactions, involving light-nuclei systems. The importance of (d/sup →/,n/sup →/) reactions as sources of polarized neutrons is pointed out

ReactionPredictor: prediction of complex chemical reactions at the mechanistic level using machine learning.

Science.gov (United States)

Kayala, Matthew A; Baldi, Pierre

2012-10-22

Proposing reasonable mechanisms and predicting the course of chemical reactions is important to the practice of organic chemistry. Approaches to reaction prediction have historically used obfuscating representations and manually encoded patterns or rules. Here we present ReactionPredictor, a machine learning approach to reaction prediction that models elementary, mechanistic reactions as interactions between approximate molecular orbitals (MOs). A training data set of productive reactions known to occur at reasonable rates and yields and verified by inclusion in the literature or textbooks is derived from an existing rule-based system and expanded upon with manual curation from graduate level textbooks. Using this training data set of complex polar, hypervalent, radical, and pericyclic reactions, a two-stage machine learning prediction framework is trained and validated. In the first stage, filtering models trained at the level of individual MOs are used to reduce the space of possible reactions to consider. In the second stage, ranking models over the filtered space of possible reactions are used to order the reactions such that the productive reactions are the top ranked. The resulting model, ReactionPredictor, perfectly ranks polar reactions 78.1% of the time and recovers all productive reactions 95.7% of the time when allowing for small numbers of errors. Pericyclic and radical reactions are perfectly ranked 85.8% and 77.0% of the time, respectively, rising to >93% recovery for both reaction types with a small number of allowed errors. Decisions about which of the polar, pericyclic, or radical reaction type ranking models to use can be made with >99% accuracy. Finally, for multistep reaction pathways, we implement the first mechanistic pathway predictor using constrained tree-search to discover a set of reasonable mechanistic steps from given reactants to given products. Webserver implementations of both the single step and pathway versions of Reaction

Deuteron stripping reactions with Tabakin potential

International Nuclear Information System (INIS)

Osman, A.

1976-05-01

Deuteron stripping reactions are considered. Due to the strong repulsion between nucleons at very short distances, we have investigated the nuclear short-range correlations. The neutron proton nuclear potential in the deuteron is taken as a short-range repulsive core surrounded by a long-range attractive potential. The neutron-proton potential is taken as the Tabakin separable potential to take into account the short-range correlations. The differential cross-sections for deuteron stripping reactions have been calculated in two different cases by taking Yamaguchi or Breit et al type parameters for the Tabakin potential used. The angular distributions for different (d,p) stripping reactions on the different target nuclei 28 Si, 32 , 34 S, 36 Ar, 40 , 48 Ca, 50 , 52 , 54 Cr have been calculated using the DWBA calculations. Our present theoretical calculations for the angular distributions of the different reactions cosidered have been fitted to the experimental data, where good agreement is obtained. The extracted spectroscopic factors from the present work are found to be more reliable

Measuring parity violation using the neutron capture reaction

International Nuclear Information System (INIS)

Frankle, C.M.; Bowman, J.D.; Seestrom, S.J.; Roberson, N.R.; Sharapov, E.I.

1993-01-01

Measuring parity violation using the total capture reaction has certain advantages over neutron transmission experiments. Very much less material is required for targets, a necessity when dealing with separated isotopes. The capture reaction is also quite sensitive to very weak resonances. These advantages indicated the need to construct a near 4π gamma ray detector for use at LANSCE. A design for such a detector has been completed. Issues influencing the design and the final design parameters will be discussed in detail

Classical vs. evolved quenching parameters and procedures in scintillation measurements: The importance of ionization quenching

International Nuclear Information System (INIS)

Bagan, H.; Tarancon, A.; Rauret, G.; Garcia, J.F.

2008-01-01

The quenching parameters used to model detection efficiency variations in scintillation measurements have not evolved since the decade of 1970s. Meanwhile, computer capabilities have increased enormously and ionization quenching has appeared in practical measurements using plastic scintillation. This study compares the results obtained in activity quantification by plastic scintillation of 14 C samples that contain colour and ionization quenchers, using classical (SIS, SCR-limited, SCR-non-limited, SIS(ext), SQP(E)) and evolved (MWA-SCR and WDW) parameters and following three calibration approaches: single step, which does not take into account the quenching mechanism; two steps, which takes into account the quenching phenomena; and multivariate calibration. Two-step calibration (ionization followed by colour) yielded the lowest relative errors, which means that each quenching phenomenon must be specifically modelled. In addition, the sample activity was quantified more accurately when the evolved parameters were used. Multivariate calibration-PLS also yielded better results than those obtained using classical parameters, which confirms that the quenching phenomena must be taken into account. The detection limits for each calibration method and each parameter were close to those obtained theoretically using the Currie approach

Nuclear transfer in peripheral heavy ion reactions

International Nuclear Information System (INIS)

Werner, K.

1984-01-01

The aim of the whole thesis is to understand the experimental results of N. Frascaria et al. (1980), namely structures in the cross section as function of the excitation energy for the reaction 40 Ca + 40 Ca at 400 MeV incident energy. We present therefore in chapter 1 a simple model of two identical potentials with only two energy levels. On the base of statistically independent T-L excitations and by fitting a two parameters to the experiments it succeeds to reproduce sufficiently the experimental results. The next step is a microscopical treatment of these parameters for the understanding and the foundation of the fitted values. For this we develop in chapter 2 a theory of collective variables in the framework of TDHF which allows to perform in chapter 3 in a very transparent way microscopical calculations and especially to understand the transfer behaviour in peripheral heavy ion reactions. This transfer behaviour will also be the key for the understanding of the experimental structures. (orig.) [de

Structure and reactions of quantum halos

International Nuclear Information System (INIS)

Jensen, A.S.; Riisager, K.; Fedorov, D.V.; Garrido, E.

2004-01-01

This article provides an overview of the basic principles of the physics of quantum halo systems, defined as bound states of clusters of particles with a radius extending well into classically forbidden regions. Exploiting the consequences of this definition, the authors derive the conditions for occurrence in terms of the number of clusters, binding energy, angular momentum, cluster charges, and excitation energy. All these quantities must be small. The article discusses the transitions between different cluster divisions and the importance of thresholds for cluster or particle decay, with particular attention to the Efimov effect and the related exotic states. The pertinent properties can be described by the use of dimensionless variables. Then universal and specific properties can be distinguished, as shown in a series of examples selected from nuclear, atomic, and molecular systems. The neutron dripline is especially interesting for nuclei and negative ions for atoms. For molecules, in which the cluster division comes naturally, a wider range of possibilities exists. Halos in two dimensions have very different properties, and their states are easily spatially extended, whereas Borromean systems are unlikely and spatially confined. The Efimov effect and the Thomas collapse occur only for dimensions between 2.3 and 3.8 and thus not for 2. High-energy reactions directly probe the halo structure. The authors discuss the reaction mechanisms for high-energy nuclear few-body halo breakup on light, intermediate, and heavy nuclear targets. For light targets, the strong interaction dominates, while for heavy targets, the Coulomb interaction dominates. For intermediate targets these processes are of comparable magnitude. As in atomic and molecular physics, a geometric impact-parameter picture is very appropriate. Finally, the authors briefly consider the complementary processes involving electroweak probes available through beta decay, electromagnetic transitions, and

Trajectory dynamics study of the Ar + CH4 dissociation reaction at high temperatures: the importance of zero-point-energy effects.

Science.gov (United States)

Marques, J M C; Martínez-Núñez, E; Fernandez-Ramos, A; Vazquez, S A

2005-06-23

Large-scale classical trajectory calculations have been performed to study the reaction Ar + CH4--> CH3 +H + Ar in the temperature range 2500 energy surface used for ArCH4 is the sum of the nonbonding pairwise potentials of Hase and collaborators (J. Chem. Phys. 2001, 114, 535) that models the intermolecular interaction and the CH4 intramolecular potential of Duchovic et al. (J. Phys. Chem. 1984, 88, 1339), which has been modified to account for the H-H repulsion at small bending angles. The thermal rate coefficient has been calculated, and the zero-point energy (ZPE) of the CH3 product molecule has been taken into account in the analysis of the results; also, two approaches have been applied for discarding predissociative trajectories. In both cases, good agreement is observed between the experimental and trajectory results after imposing the ZPE of CH3. The energy-transfer parameters have also been obtained from trajectory calculations and compared with available values estimated from experiment using the master equation formalism; in general, the agreement is good.

Insights into the mechanisms on chemical reactions: reaction paths for chemical reactions

International Nuclear Information System (INIS)

Dunning, T.H. Jr.; Rosen, E.; Eades, R.A.

1987-01-01

We report reaction paths for two prototypical chemical reactions: Li + HF, an electron transfer reaction, and OH + H 2 , an abstraction reaction. In the first reaction we consider the connection between the energetic terms in the reaction path Hamiltonian and the electronic changes which occur upon reaction. In the second reaction we consider the treatment of vibrational effects in chemical reactions in the reaction path formalism. 30 refs., 9 figs

Mesoscale simulations of shockwave energy dissipation via chemical reactions.

Science.gov (United States)

Antillon, Edwin; Strachan, Alejandro

2015-02-28

We use a particle-based mesoscale model that incorporates chemical reactions at a coarse-grained level to study the response of materials that undergo volume-reducing chemical reactions under shockwave-loading conditions. We find that such chemical reactions can attenuate the shockwave and characterize how the parameters of the chemical model affect this behavior. The simulations show that the magnitude of the volume collapse and velocity at which the chemistry propagates are critical to weaken the shock, whereas the energetics in the reactions play only a minor role. Shock loading results in transient states where the material is away from local equilibrium and, interestingly, chemical reactions can nucleate under such non-equilibrium states. Thus, the timescales for equilibration between the various degrees of freedom in the material affect the shock-induced chemistry and its ability to attenuate the propagating shock.

A study of effects of scattered reaction on physical parameters of a new gamma camera used in nuclear medicine

International Nuclear Information System (INIS)

Maury, Martine.

1979-01-01

This work is devoted to the analysis of the performance of a new gamma camera. This camera is characterized by the introduction of an image amplifier between the crystal detector and the localization system which compound four photomultipliers. The appreciation of performances of this new instrument is based on the measure of the physical parameters usually studied in this purpose: energy resolution, spatial resolution, modulation transfert fonction and contrast, sensitivity and deadtime. Furthermore, we have studied the influence of scattered radiation on the value of these parameters. Two studies complete this work: the artificial deterioration of the energy resolution of the camera inserting a noise, to estimate the importance of the energy resolution on the image contrast; the scanning of pulse amplitude spectra obtained from brain of patients in order to evaluate the participation of scattered radiation in the peak's constitution. We present, at last, a quality control programm for scintillation camera [fr

Dichotomous-noise-induced pattern formation in a reaction-diffusion system

Science.gov (United States)

Das, Debojyoti; Ray, Deb Shankar

2013-06-01

We consider a generic reaction-diffusion system in which one of the parameters is subjected to dichotomous noise by controlling the flow of one of the reacting species in a continuous-flow-stirred-tank reactor (CSTR) -membrane reactor. The linear stability analysis in an extended phase space is carried out by invoking Furutzu-Novikov procedure for exponentially correlated multiplicative noise to derive the instability condition in the plane of the noise parameters (correlation time and strength of the noise). We demonstrate that depending on the correlation time an optimal strength of noise governs the self-organization. Our theoretical analysis is corroborated by numerical simulations on pattern formation in a chlorine-dioxide-iodine-malonic acid reaction-diffusion system.

Importance of $1n$-stripping process in the $^{6}$Li+$^{159}$Tb reaction

OpenAIRE

Pradhan, M. K.; Mukherjee, A.; Roy, Subinit; Basu, P.; Goswami, A.; Kshetri, R.; Palit, R.; Parkar, V. V.; Ray, M.; Sarkar, M. Saha; Santra, S.

2013-01-01

The inclusive cross sections of the $\\alpha$-particles produced in the reaction $^{6}$Li+$^{159}$Tb have been measured at energies around the Coulomb barrier. The measured cross sections are found to be orders of magnitude larger than the calculated cross sections of $^{6}$Li breaking into $\\alpha$ and $d$ fragments, thus indicating contributions from other processes. The experimental cross sections of $1n$-stripping and $1n$-pickup processes have been determined from an entirely different me...

Hydrothermal carbonization of Opuntia ficus-indica cladodes: Role of process parameters on hydrochar properties.

Science.gov (United States)

Volpe, Maurizio; Goldfarb, Jillian L; Fiori, Luca

2018-01-01

Opuntia ficus-indica cladodes are a potential source of solid biofuel from marginal, dry land. Experiments assessed the effects of temperature (180-250°C), reaction time (0.5-3h) and biomass to water ratio (B/W; 0.07-0.30) on chars produced via hydrothermal carbonization. Multivariate linear regression demonstrated that the three process parameters are critically important to hydrochar solid yield, while B/W drives energy yield. Heating value increased together with temperature and reaction time and was maximized at intermediate B/W (0.14-0.20). Microscopy shows evidence of secondary char formed at higher temperatures and B/W ratios. X-ray diffraction, thermogravimetric data, microscopy and inductively coupled plasma mass spectrometry suggest that calcium oxalate in the raw biomass remains in the hydrochar; at higher temperatures, the mineral decomposes into CO 2 and may catalyze char/tar decomposition. Copyright © 2017 Elsevier Ltd. All rights reserved.

Study of Cold Fusion Reactions Using Collective Clusterization Approach

Science.gov (United States)

Kaur, Gurjit; Sandhu, Kirandeep; Sharma, Manoj K.

2017-10-01

Within the framework of the dynamical cluster decay model (DCM), the 1n evaporation cross-sections ({σ }1n) of cold fusion reactions (Pb and Bi targets) are calculated for {Z}{CN}=104-113 superheavy nuclei. The calculations are carried out in the fixed range of excitation energy {E}{CN}* =15+/- 1 {MeV}, so that the comparative analysis of reaction dynamics can be worked out. First of all, the fission barriers (B f ) and neutron separation energies ({S}1n) are estimated to account the decreasing cross-sections of cold fusion reactions. In addition to this, the importance of hot optimum orientations of β 2i-deformed nuclei over cold one is explored at fixed angular momentum and neck-length parameters. The hot optimum orientations support all the target-projectile (t,p) combinations, which are explored experimentally in the cold fusion reactions. Some new target-projectile combinations are also predicted for future exploration. Further, the 1n cross-sections are addressed for {Z}{CN}=104-113 superheavy nuclei at comparable excitation energies which show the decent agrement with experimental data upto {Z}{CN}=109 nuclei. Finally, to understand the dynamics of higher-Z superheavy nuclei, the cross-sections are also calculated at maximum available energies around the Coulomb barrier and the effect of non-sticking moment of inertia ({I}{NS}) is also investigated at these energies. Supported by the Council of Scientific and Industrial Research (CSIR), in the Form of Research Project Grant No. 03(1341)/15/EMR-II, and to DST, New Delhi, for INSPIRE-Fellowship Grant No. DST/INSPIRE/03/2015/000199

Energetics and kinetics of ferrocyanide and nitrate/nitrite reactions

International Nuclear Information System (INIS)

Scheele, R.D.; Burger, L.L.; Sell, R.L.

1994-01-01

During the 1950's, radiocesium scavenging at the Hanford site resulted in radioactive waste sludges containing ferrocyanide, nitrate, and nitrite. These waters are a concern since certain mixtures of ferrocyanide and nitrate and/or nitrite are known to explode when heated. The authors have used differential scanning calorimetry, thermogravimetric analysis, isothermal calorimetry and gravimetry, and accelerating rate calorimetry to measure the thermal behavior, the reaction enthalpies, and selected kinetic parameters for reactions between sodium nickel ferrocyanide, the suspected ferrocyanide form in Hanford wastes, and nitrate and/or nitrite. These studies indicate that the oxidation proceeds via multiple steps, the initial reaction begins near 200 degrees C, the initial step has a high activation energy (>200 kJ/mole-K), succeeding reaction steps have activation energies ranging from 90 to 160 kJ/mole-K, and that the oxidation yields about 50% of the theoretical heat of reaction for the most energetic reaction

Importance of sequential two-step transfer process in a ΔS = 1 and ΔT = 1 inelastic transition of 14N(p, p')14N reaction

International Nuclear Information System (INIS)

Aoki, Y.; Kunori, S.; Nagano, K.; Toba, Y.; Yagi, K.

1981-01-01

Differential cross sections and vector analyzing powers for 14 N(p, p') and 14 N(p, d) reactions have been measured at E sub(p) = 21.0 MeV to elucidate the reaction mechanism and the effective interaction for the ΔS = ΔT = 1 transition in 14 N(p, p') 14 N(2.31 MeV) reaction. The data are analyzed in terms of finite-range distorted wave Borm approximation (DWBA) which include direct, knock-on exchange and (p, d)(d, p') two-step processes. Shell model wave functions of Cohen and Kurath are used. The data for the first excited state is reasonably well explained by introducing two-step process. The two-step process explains half of the experimental intensity. Moreover vector analyzing power can hardly be explained without introducing this two-step process. Vector analyzing power of protons leading to the second excited state in 14 N is better explained by introducing macroscopic calculation. The data for 14 N(p, d) 13 N(gs) reaction are well explained by a suitable choice of deuteron optical potential. Knock-on exchange contribution is relatively small. Importance of this two-step process for ΔS = ΔT = 1 transition is discussed up to 40 MeV. (author)

The Pictet-Spengler reaction in solid-phase combinatorial chemistry

DEFF Research Database (Denmark)

Nielsen, Thomas E; Diness, Frederik; Meldal, Morten

2003-01-01

The Pictet-Spengler reaction is an important reaction for the generation of tetrahydro-beta-carbolines and tetrahydroisoquinoline ring systems, which exhibit a range of biological and pharmacological properties. This review covers the solid-phase Pictet-Spengler reaction, as employed in solid...

Molecular versus squared Woods-Saxon α-nucleus potentials in the 27Al(α, t)28Si reaction

International Nuclear Information System (INIS)

Abdullah, M N A; Das, S K; Tariq, A S B; Mahbub, M S; Mondal, A S; Uddin, M A; Basak, A K; Gupta, H M Sen; Malik, F B

2003-01-01

The differential cross-section of the 27 Al(α, t) 28 Si reaction for 64.5 MeV incident energy has been reanalysed in DWBA with full finite range using a squared Woods-Saxon (Michel) α-nucleus potential with the modified value of the depth parameter α = 2.0 as reported in a comment article by Michel and Reidemeister. This new value produces significant improvement in fitting the data of the reaction with its overall performance, in some cases, close to that previously observed for the molecular potential. Although the non-monotonic shallow molecular potential with a soft repulsive core and the Michel potentials produce the same quality fits to the elastic scattering and non-elastic processes, they are not phase equivalent. The two types of potential produce altogether different cross-sections, particularly at large reaction angles. The importance of the experimental cross-sections at large angles for both elastic scattering and non-elastic processes is elucidated

Common adverse drug reactions with psychiatric medications and ...

African Journals Online (AJOL)

Common adverse drug reactions with psychiatric medications and an approach to their management: Adverse drug reactions are as important in psychiatric practice as they are in any other branch of medicine.

Parametric spatiotemporal oscillation in reaction-diffusion systems.

Science.gov (United States)

Ghosh, Shyamolina; Ray, Deb Shankar

2016-03-01

We consider a reaction-diffusion system in a homogeneous stable steady state. On perturbation by a time-dependent sinusoidal forcing of a suitable scaling parameter the system exhibits parametric spatiotemporal instability beyond a critical threshold frequency. We have formulated a general scheme to calculate the threshold condition for oscillation and the range of unstable spatial modes lying within a V-shaped region reminiscent of Arnold's tongue. Full numerical simulations show that depending on the specificity of nonlinearity of the models, the instability may result in time-periodic stationary patterns in the form of standing clusters or spatially localized breathing patterns with characteristic wavelengths. Our theoretical analysis of the parametric oscillation in reaction-diffusion system is corroborated by full numerical simulation of two well-known chemical dynamical models: chlorite-iodine-malonic acid and Briggs-Rauscher reactions.

Analysis of activation energy in Couette-Poiseuille flow of nanofluid in the presence of chemical reaction and convective boundary conditions

Science.gov (United States)

Zeeshan, A.; Shehzad, N.; Ellahi, R.

2018-03-01

The motivation of the current article is to explore the energy activation in MHD radiative Couette-Poiseuille flow nanofluid in horizontal channel with convective boundary conditions. The mathematical model of Buongiorno [1] effectively describes the current flow analysis. Additionally, the impact of chemical reaction is also taken in account. The governing flow equations are simplified with the help of boundary layer approximations. Non-linear coupled equations for momentum, energy and mass transfer are tackled with analytical (HAM) technique. The influence of dimensionless convergence parameter like Brownian motion parameter, radiation parameter, buoyancy ratio parameter, dimensionless activation energy, thermophoresis parameter, temperature difference parameter, dimensionless reaction rate, Schmidt number, Brinkman number, Biot number and convection diffusion parameter on velocity, temperature and concentration profiles are discussed graphically and in tabular form. From the results, it is elaborate that the nanoparticle concentration is directly proportional to the chemical reaction with activation energy and the performance of Brownian motion on nanoparticle concentration gives reverse pattern to that of thermophoresis parameter.

Detailed determination of the fusion nuclear radius in reactions involving weakly bound projectiles

International Nuclear Information System (INIS)

Gomez Camacho, A.; Aguilera, E. F.; Quiroz, E. M.

2007-01-01

A detailed determination of the fusion radius parameter is performed within the Distorted Wave Born Approximation for reactions involving weakly bound projectiles. Specifically, a simultaneous X 2- analysis of elastic and fusion cross section data is done using a Woods-Saxon potential with volume and surface parts. The volume part is assumed to be responsible for fusion reactions while the surface part for all other direct reactions. It is proved that in order to fit fusion data, particularly for energies below the Coulomb barrier where fusion is enhanced, it is necessary to have a value of around 1.4 fm for the fusion radial parameter of the fusion potential (W F ). This value is much higher than that frequently used in Barrier Penetration models (1.0 fm). The calculations are performed for reactions involving the weakly bound projectile 9 Be with several medium mass targets. (Author)

Manipulating perceptual parameters in a continuous performance task.

Science.gov (United States)

Shalev, Nir; Humphreys, Glyn; Demeyere, Nele

2018-02-01

Sustained attention (SA) is among the most studied faculties of human cognition, and thought to be crucial for many aspects of behavior. Measuring SA often relies on performance on a continuous, low-demanding task. Such continuous performance tasks (CPTs) have many variations, and sustained attention is typically estimated based on variability in reaction times. While relying on reaction times may be useful in some cases, it can pose a challenge when working with clinical populations. To increase interpersonal variability in task parameters that do not rely on speed, researchers have increased demands for memory and response inhibition. These approaches, however, may be confounded when used to assess populations that suffer from multiple cognitive deficits. In the current study, we propose a new approach for increasing task variability by increasing the attentional demands. In order to do so, we created a new variation of a CPT - a masked version, where inattention is more likely to cause misidentifying a target. After establishing that masking indeed decreases target detection, we further investigated which task parameter may influence response biases. To do so, we contrasted two versions of the CPT with different target/distractor ratio. We then established how perceptual parameters can be controlled independently in a CPT. Following the experimental manipulations, we tested the MCCPT with aging controls and chronic stroke patients to assure the task can be used with target populations. The results confirm the MCCPT as a task providing high sensitivity without relying on reaction speed, and feasible for patients.

Which are the most important parameters for modelling carbon assimilation in boreal Norway spruce under elevated [CO(2)] and temperature conditions?

Science.gov (United States)

Hall, Marianne; Medlyn, Belinda E; Abramowitz, Gab; Franklin, Oskar; Räntfors, Mats; Linder, Sune; Wallin, Göran

2013-11-01

Photosynthesis is highly responsive to environmental and physiological variables, including phenology, foliage nitrogen (N) content, atmospheric CO2 concentration ([CO2]), irradiation (Q), air temperature (T) and vapour pressure deficit (D). Each of these responses is likely to be modified by long-term changes in climatic conditions such as rising air temperature and [CO2]. When modelling photosynthesis under climatic changes, which parameters are then most important to calibrate for future conditions? To assess this, we used measurements of shoot carbon assimilation rates and microclimate conditions collected at Flakaliden, northern Sweden. Twelve 40-year-old Norway spruce trees were enclosed in whole-tree chambers and exposed to elevated [CO2] and elevated air temperature, separately and in combination. The treatments imposed were elevated temperature, +2.8 °C in July/August and +5.6 °C in December above ambient, and [CO2] (ambient CO2 ∼370 μ mol mol(-1), elevated CO2 ∼700 μ mol mol(-1)). The relative importance of parameterization of Q, T and D responses for effects on the photosynthetic rate, expressed on a projected needle area, and the annual shoot carbon uptake was quantified using an empirical shoot photosynthesis model, which was developed and fitted to the measurements. The functional form of the response curves was established using an artificial neural network. The [CO2] treatment increased annual shoot carbon (C) uptake by 50%. Most important was effects on the light response curve, with a 67% increase in light-saturated photosynthetic rate, and a 52% increase in the initial slope of the light response curve. An interactive effect of light saturated photosynthetic rate was found with foliage N status, but no interactive effect for high temperature and high CO2. The air temperature treatment increased the annual shoot C uptake by 44%. The most important parameter was the seasonality, with an elongation of the growing season by almost 4

for the inference of Furan combustion reaction rate

KAUST Repository

Long, Quan

2016-01-06

We carry out the design of experiments for the identification of the reaction parameters in Furan combustion. The lacks of information on the true value of the control parameters, specifically, the initial temperature and the initial TBHP concentration, are considered in the design procedure by errors-invariables models. We use two types of observables. The first is a scaler observable, i.e., half decay time of the [TBHP]. The second is the time history of the concentration.

Tandem Reaction of Cationic Copolymerization and Concertedly Induced Hetero-Diels-Alder Reaction Preparing Sequence-Regulated Polymers.

Science.gov (United States)

Matsumoto, Suzuka; Kanazawa, Arihiro; Kanaoka, Shokyoku; Aoshima, Sadahito

2017-06-14

A unique tandem reaction of sequence-controlled cationic copolymerization and site-specific hetero-Diels-Alder (DA) reaction is demonstrated. In the controlled cationic copolymerization of furfural and 2-acetoxyethyl vinyl ether (AcOVE), only the furan ring adjacent to the propagating carbocation underwent the hetero-DA reaction with the aldehyde moiety of another furfural molecule. A further and equally important feature of the copolymerization is that the obtained copolymers had unprecedented 2:(1 + 1)-type alternating structures of repeating sequences of two VE and one furfural units in the main chain and one furfural unit in the side chain. The specific DA reaction is attributed to the delocalization of the positive charge to the side furan ring.

Global sensitivity analysis in stochastic simulators of uncertain reaction networks.

Science.gov (United States)

Navarro Jimenez, M; Le Maître, O P; Knio, O M

2016-12-28

Stochastic models of chemical systems are often subjected to uncertainties in kinetic parameters in addition to the inherent random nature of their dynamics. Uncertainty quantification in such systems is generally achieved by means of sensitivity analyses in which one characterizes the variability with the uncertain kinetic parameters of the first statistical moments of model predictions. In this work, we propose an original global sensitivity analysis method where the parametric and inherent variability sources are both treated through Sobol's decomposition of the variance into contributions from arbitrary subset of uncertain parameters and stochastic reaction channels. The conceptual development only assumes that the inherent and parametric sources are independent, and considers the Poisson processes in the random-time-change representation of the state dynamics as the fundamental objects governing the inherent stochasticity. A sampling algorithm is proposed to perform the global sensitivity analysis, and to estimate the partial variances and sensitivity indices characterizing the importance of the various sources of variability and their interactions. The birth-death and Schlögl models are used to illustrate both the implementation of the algorithm and the richness of the proposed analysis method. The output of the proposed sensitivity analysis is also contrasted with a local derivative-based sensitivity analysis method classically used for this type of systems.

Global sensitivity analysis in stochastic simulators of uncertain reaction networks

KAUST Repository

Navarro, María

2016-12-26

Stochastic models of chemical systems are often subjected to uncertainties in kinetic parameters in addition to the inherent random nature of their dynamics. Uncertainty quantification in such systems is generally achieved by means of sensitivity analyses in which one characterizes the variability with the uncertain kinetic parameters of the first statistical moments of model predictions. In this work, we propose an original global sensitivity analysis method where the parametric and inherent variability sources are both treated through Sobol’s decomposition of the variance into contributions from arbitrary subset of uncertain parameters and stochastic reaction channels. The conceptual development only assumes that the inherent and parametric sources are independent, and considers the Poisson processes in the random-time-change representation of the state dynamics as the fundamental objects governing the inherent stochasticity. A sampling algorithm is proposed to perform the global sensitivity analysis, and to estimate the partial variances and sensitivity indices characterizing the importance of the various sources of variability and their interactions. The birth-death and Schlögl models are used to illustrate both the implementation of the algorithm and the richness of the proposed analysis method. The output of the proposed sensitivity analysis is also contrasted with a local derivative-based sensitivity analysis method classically used for this type of systems.

Isospin and angular momentum effects in the peripheral heavy ion reactions; Effets d`isospin et de moment angulaire dans les reactions d`ions lourds peripheriques

Energy Technology Data Exchange (ETDEWEB)

Jouault, B.; De La Mota, V.; Sebille, F.; Royer, G. [Laboratoire de Physique Subatomique et des Technologies Associees - SUBATECH, Centre National de la Recherche Scientifique, 44 - Nantes (France); Lecolley, J. F. [Lab. de Physique Corpusculaire, Caen Univ., 14 (France)

1997-10-01

The semi-classical Landau Vlasov model has been used to investigate the decay modes of peripheral Pb + Au reactions at 29 MeV/n. Statics and dynamics of these very massive nuclei are analyzed especially through the isospin dependence of the effective nuclear force. The degree of dissipation of the collisions is studied for different bins of impact parameter pointing out the influence of the nucleon-nucleon cross section. The appearance of intermediate mass fragments from neck-like structures is evidenced and the effects of angular momentum transfers are shown to play a fundamental role in this phenomenon. The theoretical results are compared with experimental data, showing the importance of the dynamical and out of equilibrium effects on the observables. (authors) 7 refs.

Injectivity, multiple zeros, and multistationarity in reaction networks

DEFF Research Database (Denmark)

Feliu, Elisenda

2015-01-01

Polynomial dynamical systems are widely used to model and study real phenomena. In biochemistry, they are the preferred choice for modelling the concentration of chemical species in reaction networks with mass-action kinetics. These systems are typically parametrized by many (unknown) parameters...

Women's Experiences of Social Reactions From Informal and Formal Supports: Using a Modified Administration of the Social Reactions Questionnaire.

Science.gov (United States)

DePrince, Anne P; Dmitrieva, Julia; Gagnon, Kerry L; Srinivas, Tejaswinhi

2017-11-01

A growing literature links social reactions to disclosures of intimate violence to posttraumatic outcomes. The Social Reactions Questionnaire (SRQ), a widely used measure developed to assess social reactions, asks about reactions received from people generally. The ability to examine the impact of social reactions from specific groups of people-such as criminal justice personnel versus community-based providers-has become increasingly more important from both research and practice perspectives. For example, as sexual assault responses nationally have relied on community-coordinated models that involve both criminal justice and community-based systems, tools are lacking to systematically assess the impact of social reactions from criminal justice personnel and community-based providers on survivors. Using the SRQ, the current study asked women to report separately on reactions received from criminal justice personnel, community-based providers, and informal supports. We recruited a diverse community sample of women ( N = 228, ages 18-63, 19% lesbian/bisexual, 44% ethnic minority) who experienced a sexual assault in the previous year and disclosed to the criminal justice system and/or a community-based provider. Multilevel analyses revealed considerable variability in the social reactions reported by women across criminal justice personnel, community-based providers, and informal supports. Analyses supported a seven-factor structure for the SRQ when the measure is yoked to particular experiences of disclosure, in this case to criminal justice personnel, community-based providers, or informal supports. The utility of this modified administration and scoring of the SRQ and the importance of considering reactions across different groups are described.

Evaluation of the atmospheric significance of multiphase reactions in atmospheric secondary organic aerosol formation

Directory of Open Access Journals (Sweden)

Gelencsér

2005-01-01

Full Text Available In a simple conceptual cloud-aerosol model the mass of secondary organic aerosol (SOA that may be formed in multiphase reaction in an idealized scenario involving two cloud cycles separated with a cloud-free period is evaluated. The conditions are set to those typical of continental clouds, and each parameter used in the model calculations is selected as a mean of available observational data of individual species for which the multiphase SOA formation route has been established. In the idealized setting gas and aqueous-phase reactions are both considered, but only the latter is expected to yield products of sufficiently low volatility to be retained by aerosol particles after the cloud dissipates. The key variable of the model is the Henry-constant which primarily determines how important multiphase reactions are relative to gas-phase photooxidation processes. The precursor considered in the model is assumed to already have some affinity to water, i.e. it is a compound having oxygen-containing functional group(s. As a principal model output an aerosol yield parameter is calculated for the multiphase SOA formation route as a function of the Henry-constant, and has been found to be significant already above H~103 M atm-1. Among the potential precursors that may be eligible for this mechanism based on their Henry constants, there are a suite of oxygenated compounds such as primary oxidation products of biogenic and anthropogenic hydrocarbons, including, for example, pinonaldehyde. Finally, the analogy of multiphase SOA formation to in-cloud sulfate production is exploited.

Study of ODE limit problems for reaction-diffusion equations

Directory of Open Access Journals (Sweden)

Jacson Simsen

2018-01-01

Full Text Available In this work we study ODE limit problems for reaction-diffusion equations for large diffusion and we study the sensitivity of nonlinear ODEs with respect to initial conditions and exponent parameters. Moreover, we prove continuity of the flow and weak upper semicontinuity of a family of global attractors for reaction-diffusion equations with spatially variable exponents when the exponents go to 2 in \\(L^{\\infty}(\\Omega\\ and the diffusion coefficients go to infinity.

EVALUATION OF THE IMPORTANCE OF BIOCHEMICAL PARAMETERS IN RELATION TO ULTRASONOGRAPHIC FINDING IN ECTOPIC PREGNANCY DIAGNOSIS

Directory of Open Access Journals (Sweden)

Dragan Lončar

2011-09-01

Full Text Available The implantation of the fertilized egg outside the uterine cavity leads to the development of ectopic pregnancy. The incidence of ectopic pregnancy is 1/100 births. The most common place of ectopic implantation of the fertilized ovum is the oviduct (98% with predilection for the ampullar part of the Fallopian tube. The aim of this study was to determine the predictive importance of beta-hCG and progesterone concentration compared to ultrasonographic finding in the ectopic pregnancy diagnosis.We examined 24 patients with ectopic pregnancies which we divided according to the days of amenorrhea into two groups: the first group with the total of 28 patients from 16–42 days and another group of 8 patients with amenorrhea longer than 42 days. The control group was comprised of 20 patients with vital intrauterine pregnancy, gestational age of 42-52 days. Blood samples for quantitative determination of hormones were collected on three occasions after 48 hours in the forenoon time in the examined and control group of pregnant women. Ultrasonographic examinations of all pregnant women were carried out immediately after blood sampling, with the trans-vaginal approach using "make loop" option, and measurements with an accuracy of 0.1 mm.Mean values for beta-hCG range from 698-1774 mlU/ml in the first group of pregnant women, and in the second group of 1896 mlU/ml to 4410 mlU/ml with a statistically significant difference compared to the values in the control group (p <0.001. The concentration of progesterone in the first group of women ranging from 41-70 nmol/l, and in the second group of 76-94 nmol/l which is also the statistically significant difference compared to the control group (p<0.002. We have shown that ultrasonographic finding with its parameters reliably predicts the values of biochemical parameters both in normal intrauterine pregnancy and in the case of ectopic pregnancy.Embryo viability and implantation place condition the values of

Optimization of the reaction parameters of heavy naphtha reforming process using Pt-Re/Al2O3 catalyst system

Directory of Open Access Journals (Sweden)

Hussien A. Elsayed

2017-12-01

Full Text Available One of the most significant procedures in oil refineries is naphtha catalytic reforming unit in which high octane gasoline is gained. Normally, in oil refineries, flow instability in the composition of feedstock can affect the product quality. The aim of the present work was focused on modifications of the final product flow rate and product’s octane number with respect to the modifications of the feedstock composition. The main three reforming reactions investigated, namely; dehydrogenation, dehydrocyclization, and hydrocracking were conducted employing silica supported bimetallic (Pt-Re patented catalyst. Optimization of the catalytic process reaction conditions, i.e.; temperature, hydrogen pressure and liquid hourly space velocity (LHSV was carried out with regard to conversion and selectivity. The optimization results indicated that heavy naphtha component conversion (paraffin’s and naphthenes increases with an increasing in reaction temperature and pressure while decreases with an increase in LHSV. The kinetic study of catalytic reforming reactions reported helped establishing the reaction model explicitly.

Laser-induced chemical vapor deposition reactions

International Nuclear Information System (INIS)

Teslenko, V.V.

1990-01-01

The results of investigation of chemical reactions of deposition of different substances from the gas phase when using the energy of pulse quasicontinuous and continuous radiation of lasers in the wave length interval from 0.193 to 10.6 μm are generalized. Main attetion is paid to deposition of inorganic substances including nonmetals (C, Si, Ge and others), metals (Cu, Au, Zn, Cd, Al, Cr, Mo, W, Ni) and some simple compounds. Experimental data on the effect of laser radiation parameters and reagent nature (hydrides, halogenides, carbonyls, alkyl organometallic compounds and others) on the deposition rate and deposit composition are described in detail. Specific features of laser-chemical reactions of deposition and prospects of their application are considered

Energy spectrum of 208Pb(n,x) reactions

Science.gov (United States)

Tel, E.; Kavun, Y.; Özdoǧan, H.; Kaplan, A.

2018-02-01

Fission and fusion reactor technologies have been investigated since 1950's on the world. For reactor technology, fission and fusion reaction investigations are play important role for improve new generation technologies. Especially, neutron reaction studies have an important place in the development of nuclear materials. So neutron effects on materials should study as theoretically and experimentally for improve reactor design. For this reason, Nuclear reaction codes are very useful tools when experimental data are unavailable. For such circumstances scientists created many nuclear reaction codes such as ALICE/ASH, CEM95, PCROSS, TALYS, GEANT, FLUKA. In this study we used ALICE/ASH, PCROSS and CEM95 codes for energy spectrum calculation of outgoing particles from Pb bombardment by neutron. While Weisskopf-Ewing model has been used for the equilibrium process in the calculations, full exciton, hybrid and geometry dependent hybrid nuclear reaction models have been used for the pre-equilibrium process. The calculated results have been discussed and compared with the experimental data taken from EXFOR.

The importance of a hot-sequential mechanism in triplet-state formation by charge recombination in reaction centers of bacterial photosynthesis

International Nuclear Information System (INIS)

Saito, K.; Mukai, K.; Sumi, H.

2006-01-01

In photosynthesis, pigment-excitation energies in the antenna system produced by light harvesting are transferred among antenna pigments toward the core antenna, where they are captured by the reaction center and initially fixed in the form of a charge separation. Primary charge separation between an oxidized special pair (P + ) and a reduced bacteriopheohytin (H - ) is occasionally intervened by recombination, and a spin-triplet state ( 3 P*) is formed on P in the bacterial reaction center. The 3 P* state is harmful to bio-organisms, inducing the formation of the highly damaging singlet oxygen species. Therefore, understanding the 3 P*-formation mechanism is important. The 3 P* formation is mediated by a state |m> of intermediate charge separation between P and the accessory chlorophyll, which is located between P and H. It will be shown theoretically in the present work that at room temperature, not only the mechanism of superexchange by quantum-mechanical virtual mediation at |m>, but also a hot-sequential mechanism contributes to the mediation. In the latter, although |m> is produced as a real state, the final state 3 P* is quickly formed during thermalization of phonons in the protein matrix in |m>. In the former, the final state is formed more quickly before dephasing-thermalization of phonons in |m>. 3 P* is unistep formed from the charge-separated state in the both mechanisms

Bimetallic Catalysts Containing Gold and Palladium for Environmentally Important Reactions

Directory of Open Access Journals (Sweden)

Ahmad Alshammari

2016-07-01

Full Text Available Supported bimetallic nanoparticles (SBN are extensively used as efficient redox catalysts. This kind of catalysis particularly using SBN has attracted immense research interest compared to their parent metals due to their unique physico-chemical properties. The primary objective of this contribution is to provide comprehensive overview about SBN and their application as promising catalysts. The present review contains four sections in total. Section 1 starts with a general introduction, recent progress, and brief summary of the application of SBN as promising catalysts for different applications. Section 2 reviews the preparation and characterization methods of SBN for a wide range of catalytic reactions. Section 3 concentrates on our own results related to the application of SBN in heterogeneous catalysis. In this section, the oxidation of cyclohexane to adipic acid (an eco-friendly and novel approach will be discussed. In addition, the application of bimetallic Pd catalysts for vapor phase toluene acetoxylation in a fixed bed reactor will also be highlighted. Acetoxylation of toluene to benzyl acetate is another green route to synthesize benzyl acetate in one step. Finally, Section 4 describes the summary of the main points and also presents an outlook on the application of SBN as promising catalysts for the production of valuable products.

Statistical theory of precompound nuclear reactions

International Nuclear Information System (INIS)

Nishioka, H.

1986-01-01

The purpose of the paper is to show the application of the Grassmann-integration method (or the graded-symmetry method) to a pre-equilibrium process in nuclear reactions. The Grassmann-integration method for random systems was first introduced by Efetov and later largely extended and applied to nuclear physics by Verbaarschot, Weidenmuller and Zirnbauer (referred to as VWZ). They have applied it to the equilibrium nuclear reactions; namely; the compound-nucleus reactions. It will be shown in this paper that this method is also applicable to non-equilibrium nuclear reactions. Applying this method to precompound nuclear reactions, the authors have obtained the same expression of the cross-section as Agassi, Weidenmuller and Mantzouranis (referred to as AWM) in the weak-coupling limit. In the general case their results show an important modification to AWM

Interlaboratory reaction rate program. 12th progress report, November 1976-October 1979

International Nuclear Information System (INIS)

Lippincott, E.P.; McElroy, W.N.; Preston, C.C.

1980-09-01

The Interlaboratory Reaction Rate UILRR) program is establishing the capability to accurately measure neutron-induced reactions and reaction rates for reactor fuels and materials development programs. The goal for the principal fission reactions, 235 U, 238 U and 239 Pu, is an accuracy to within +- 5% at the 95% confidence level. Accurate measurement of other fission and nonfission reactions is also required, but to a lesser accuracy, between +- 5% and 10% at the 95% confidence level. A secondary program objective is improvement in knowledge of the nuclear parameters involved in the standarization of fuels and materials dosimetry measurements of neutron flux, spectra, fluence and burnup

Synthesis of amidoalkyl naphthol via Ritter-type reaction catalysed ...

Indian Academy of Sciences (India)

Multi-component reactions (MCRs) play an important role in organic synthesis since they generally occur in a single pot and exhibit a high atom-economy and selectivity. Ritter-type reaction is an important MCR in organic synthesis for C–N bond forming to afford. N-alkyl amide compounds, which are ubiquitous to a variety ...

A review of parameters and heuristics for guiding metabolic pathfinding.

Science.gov (United States)

Kim, Sarah M; Peña, Matthew I; Moll, Mark; Bennett, George N; Kavraki, Lydia E

2017-09-15

Recent developments in metabolic engineering have led to the successful biosynthesis of valuable products, such as the precursor of the antimalarial compound, artemisinin, and opioid precursor, thebaine. Synthesizing these traditionally plant-derived compounds in genetically modified yeast cells introduces the possibility of significantly reducing the total time and resources required for their production, and in turn, allows these valuable compounds to become cheaper and more readily available. Most biosynthesis pathways used in metabolic engineering applications have been discovered manually, requiring a tedious search of existing literature and metabolic databases. However, the recent rapid development of available metabolic information has enabled the development of automated approaches for identifying novel pathways. Computer-assisted pathfinding has the potential to save biochemists time in the initial discovery steps of metabolic engineering. In this paper, we review the parameters and heuristics used to guide the search in recent pathfinding algorithms. These parameters and heuristics capture information on the metabolic network structure, compound structures, reaction features, and organism-specificity of pathways. No one metabolic pathfinding algorithm or search parameter stands out as the best to use broadly for solving the pathfinding problem, as each method and parameter has its own strengths and shortcomings. As assisted pathfinding approaches continue to become more sophisticated, the development of better methods for visualizing pathway results and integrating these results into existing metabolic engineering practices is also important for encouraging wider use of these pathfinding methods.

A new importance measure for risk-informed decision making

International Nuclear Information System (INIS)

Borgonovo, E.; Apostolakis, G.E.

2000-01-01

Recently, several authors pointed out that the traditional importance measures had limitations. In this study, the problem through an analysis at the parameter level was investigated and a new measure was introduced. The measure was based on small parameter variations and is capable of accounting for the importance of a group of components/parameters. The definition, computational steps, and an application of a new importance measure for risk-informed decision making were presented here. Unlike traditional importance measures, differential importance measure (DIM) deals with changes in the various parameters that determine the unavailability/unreliability of a component, e.g., failure rates, common-cause failure rates, individual human errors. The importance of the component unavailability/unreliability can be calculated from the importance of the parameters. DIM can be calculated for the frequency of initiating events, while risk achievement worth (RAW) is limited to binary events, e.g., component unavailability. The changes in parameters are 'small'. This is more realistic than the drastic assumption in RAW that the component is always down. DIM is additive. This allows the evaluation of the impact of changes, such as the relaxation of quality assurance requirements, which affect groups of parameters, e.g., the failure rates of a group of pumps. (M.N.)

Stochastic simulation of biological reactions, and its applications for studying actin polymerization.

Science.gov (United States)

Ichikawa, Kazuhisa; Suzuki, Takashi; Murata, Noboru

2010-11-30

Molecular events in biological cells occur in local subregions, where the molecules tend to be small in number. The cytoskeleton, which is important for both the structural changes of cells and their functions, is also a countable entity because of its long fibrous shape. To simulate the local environment using a computer, stochastic simulations should be run. We herein report a new method of stochastic simulation based on random walk and reaction by the collision of all molecules. The microscopic reaction rate P(r) is calculated from the macroscopic rate constant k. The formula involves only local parameters embedded for each molecule. The results of the stochastic simulations of simple second-order, polymerization, Michaelis-Menten-type and other reactions agreed quite well with those of deterministic simulations when the number of molecules was sufficiently large. An analysis of the theory indicated a relationship between variance and the number of molecules in the system, and results of multiple stochastic simulation runs confirmed this relationship. We simulated Ca²(+) dynamics in a cell by inward flow from a point on the cell surface and the polymerization of G-actin forming F-actin. Our results showed that this theory and method can be used to simulate spatially inhomogeneous events.

Stochastic simulation of biological reactions, and its applications for studying actin polymerization

International Nuclear Information System (INIS)

Ichikawa, Kazuhisa; Suzuki, Takashi; Murata, Noboru

2010-01-01

Molecular events in biological cells occur in local subregions, where the molecules tend to be small in number. The cytoskeleton, which is important for both the structural changes of cells and their functions, is also a countable entity because of its long fibrous shape. To simulate the local environment using a computer, stochastic simulations should be run. We herein report a new method of stochastic simulation based on random walk and reaction by the collision of all molecules. The microscopic reaction rate P r is calculated from the macroscopic rate constant k. The formula involves only local parameters embedded for each molecule. The results of the stochastic simulations of simple second-order, polymerization, Michaelis–Menten-type and other reactions agreed quite well with those of deterministic simulations when the number of molecules was sufficiently large. An analysis of the theory indicated a relationship between variance and the number of molecules in the system, and results of multiple stochastic simulation runs confirmed this relationship. We simulated Ca 2+ dynamics in a cell by inward flow from a point on the cell surface and the polymerization of G-actin forming F-actin. Our results showed that this theory and method can be used to simulate spatially inhomogeneous events

Adverse reactions and other factors that impact subsequent blood donation visits.

Science.gov (United States)

Custer, Brian; Rios, Jorge A; Schlumpf, Karen; Kakaiya, Ram M; Gottschall, Jerome L; Wright, David J

2012-01-01

The importance of adverse reactions in terms of donor safety recently has received significant attention, but their role in subsequent donation behavior has not been thoroughly investigated. Six REDS-II blood centers provided data for this analysis. Summary minor and major adverse reaction categories were created. The influence of adverse reactions on donation was examined in two ways: Kaplan-Meier curves were generated to determine the cumulative pattern of first return, and adjusted odds ratios (AORs) for demographic and other factors positively and negatively associated with return were estimated using multivariable logistic regression. Donors who had major reactions had longer times to return than donors with minor or no reactions. The AOR of returning for donors with major reactions was 0.32 (95% confidence interval [CI], 0.28-0.37) and with minor reactions 0.59 (95% CI, 0.56-0.62) when compared to donors who did not have reactions. Conversely, the most important factors positively associated with return were the number of donations in the previous year and increasing age. Subsequent return, whether a major, minor, or no reaction occurred, varied by blood center. Factors that are associated with the risk of having adverse reactions were not substantial influences on the return after adverse reactions. Having an adverse reaction leads to significantly lower odds of subsequent donation irrespective of previous donation history. Factors that have been associated with a greater risk of adverse reactions were not important positive or negative predictors of return after a reaction. © 2011 American Association of Blood Banks.

Evaluation of neutron-induced reactions in 48Ti and 238U

International Nuclear Information System (INIS)

Carlson, B.V.; Fiorentino, J.; Frederico, T.; Isidro Filho, M.P.; Mastroleo, R.C.; Rego, R.A.

1984-05-01

Preliminary results of the evaluation of neutron-induced reactions in 48 Ti and 238 U are presented. Calculated cross sections for the reactions (n,γ), (n,n'), (n, 2n) and (n,p) as well as for (n,f) in 238 U are given. Comparisons with available experimental data are made and possible changes in the parameters are discussed. (Author) [pt

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.

Study of castor oil polyurethane - poly(methyl methacrylate semi-interpenetrating polymer network (SIPN reaction parameters using a 2³ factorial experimental design

Directory of Open Access Journals (Sweden)

Fernanda Oliveira Vieira da Cunha

2004-12-01

Full Text Available In this work was employed a 2³ factorial experiment design to evaluate the castor oil polyurethane-poly(methyl methacrylate semi-IPN synthesis. The reaction parameters used as independent variables were NCO/OH molar ratio, polyurethane polymerization time and methyl methacrylate (MMA content. The semi-IPNs were cured over 28 h using two thermal treatments. The polymers were characterized by infrared and Raman spectroscopy, thermal analysis and swelling profiles in n-hexane. The glass transition temperature (Tg and the swelling were more affect by the NCO/OH molar ratio variation. The semi-IPNs showed Tg from - 27 to - 6 °C and the swelling range was from 3 to 22%, according to the crosslink density. The IPN mechanical properties were dependent on the cure temperature and MMA content in it. Lower elastic modulus values were observed in IPNs cured at room temperature.

Lipase-catalyzed glycerolysis of fats and oils in ionic liquids: a further study on the reaction system

DEFF Research Database (Denmark)

Guo, Zheng; Xu, Xuebing

2006-01-01

Candida antarctica lipase B-catalyzed glycerolysis of sunflower oil in a tetraammonium-based ionic liquid (IL) was studied to elucidate its distinct characteristics and to evaluate the contributions of important parameters. Mass transfer limitations and occurring partial phase separation were found...... and enzyme loading study. Interestingly, increasing water activity resulted in a decreasing initial reaction rate and a prolonged induction period, which possibly resulted from an elevated solvation barrier and the phase separation at higher water content. Studies on thermodynamics of glycerolysis show......) equation, and the viscosity of the mixture is strongly agitation-dependent. A comparable diffusion time constant of the oil molecule in the IL to that of the reaction shows that the glycerolysis in the IL is controlled both diffusionally and kinetically, as experimentally verified by agitation effect...

Monitor of dynamic parameters in real time; Monitor de parametros dinamicos en tiempo real

Energy Technology Data Exchange (ETDEWEB)

Rojas S, A.S.; Ruiz E, J.A. [ININ, 52750 La Marquesa, Estado de Mexico (Mexico)

2008-07-01

In the complex physical systems exist parameters that are necessary for monitoring in real time. In the nuclear industry, particularly in a reactor this surveillance is important, where the times of the reactions are almost instantaneous. Although many of these parameters are monitored, given the advance of the computer systems the monitoring could either be enlarged direct or indirect of other parameters. The analysis of the neutron noise in the nuclear reactors, plays an important role, the noise signal it contains information about the operation conditions of a system, when analyzing it with analysis methodologies of analogical signals to provide important information for the early detection of possible flaws and to indicate the permissible operation levels. To show the characteristics of the operation of the system of Monitoring of Dynamic Parameters in Real Time, oscillations of neutron noise of the TRIGA Mark III of the ININ were analyzed, these were caused with the control bar to a power of 10 Watts, the oscillations were carried out to a frequency of 1Hz, signal of low frequency. In this work a virtual instrument that allows by means of the spectral analysis method in frequency point by point is presented, to indicate in real time periodic variations that could be presented in the neutron noise signal, visualizing in advance the dynamic behavior of the system or nuclear plant. Another of the tests of the monitoring system presented is that of the oscillatory event happened in the reactor of Laguna Verde Nucleo electric Central, would be convenient to have an instrument of surveillance for monitoring through the neutron noise signal the behavior of some important parameter to predict and to indicate in an immediate way an abnormal condition in the reactor operation or in the plant system. These parameters can be the power, the recirculation water flow, etc. The monitor is based on a personal computer (PC), a data acquisition card (ADC) and a computer program

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