Studies of nuclear reaction at very low energies

International Nuclear Information System (INIS)

Cecil, F.E.

1992-01-01

The deuteron radiative capture reactions on 2 H, 6 Li and 10 B have been measured between center of mass energies of 20 and 140 keV. Of note is the observation that the gamma ray-to-charged particle branching ratio for the DD reaction appears independent of energy down to a center of mass energy of 20 keV, consistent with some and contrary to other theoretical models. We have investigated the ratio of the reactions D(d,p)T and D(d,n) 3 He down to c.m. energies of 3 keV and the ratio of the reactions 6Li(d,p) 7 Li and 6 LI(d,α) 4 He down to a c.m. energy of 19 keV. The DD reaction ratio is independent of energy while the (d,p) branch of the D- 6 Li evinces a significant enhancement at the lowest measured energies. We have continued our investigation of charged particle production from deuterium-metal systems at a modest level of activity. Noteworthy in this investigation is the observation of 3 MeV protons from deuteron beam loaded Ti and LiD targets subjected to extreme thermal disequilibria. Significant facility improvements were realized during the most recent contract period. Specifically the downstream magnetic analysis system proposed to eliminate beam induced contaminants has been installed and thoroughly tested. This improvement should allow the D(a,γ) 6 Li reaction to be measured in the coming contract period. A scattering chamber required for the measurement of the 7 Li( 3 He,p) 9 Be reaction has been designed, fabricated and installed on the accelerator. A CAMAC based charged particle identification system has been assembled also for use in our proposed measurement of the 7 Li( 3 He, p) 9 Be

Exploring Reaction Mechanism on Generalized Force Modified Potential Energy Surfaces (G-FMPES) for Diels-Alder Reaction

Science.gov (United States)

Jha, Sanjiv; Brown, Katie; Subramanian, Gopinath

We apply a recent formulation for searching minimum energy reaction path (MERP) and saddle point to atomic systems subjected to an external force. We demonstrate the effect of a loading modality resembling hydrostatic pressure on the trans to cis conformational change of 1,3-butadiene, and the simplest Diels-Alder reaction between ethylene and 1,3-butadiene. The calculated MERP and saddle points on the generalized force modified potential energy surface (G-FMPES) are compared with the corresponding quantities on an unmodified potential energy surface. Our study is performed using electronic structure calculations at the HF/6-31G** level as implemented in the AIMS-MOLPRO code. Our calculations suggest that the added compressive pressure lowers the energy of cis butadiene. The activation energy barrier for the concerted Diels-Alder reaction is found to decrease progressively with increasing compressive pressure.

Directed surfaces structures and interfaces for enhanced electrocatalyst activity, selectivity, and stability for energy conversion reactions

Energy Technology Data Exchange (ETDEWEB)

Jaramillo, Thomas F. [Stanford Univ., CA (United States). Dept. of Chemical Engineering. Shriram Center

2016-04-20

In this project, we have employed a systematic approach to develop active, selective, and stable catalyst materials for important electrochemical reactions involving energy conversion. In particular, we have focused our attention on developing active catalyst materials for the hydrogen evolution reaction (HER), oxygen evolution reaction (OER) and oxygen reduction reaction (ORR). HER: We have synthesized and investigated several highly active and acid stable non-precious metal HER catalysts, including: [Mo₃S₁₃]^2- nanoclusters (Nature Chemistry, 2014) and molybdenum phosphosulfide (MoP|S) (Angewandte Chemie, 2014). We have also aimed to engineer these catalyst formulations in a membrane electrode assembly (MEA) for fundamental studies of water electrolysis at high current densities, approximately 1 A/cm² (ChemSusChem, 2015). We furthermore investigated transition metal phosphide (TMP) catalysts for HER by a combined experimental–theoretical approach (Energy & Environmental Science, 2015). By synthesizing different TMPs and comparing experimentally determined HER activities with the hydrogen adsorption free energies, ΔG_H, calculated by density functional theory, we showed that the TMPs follow a volcano relationship for the HER. Using our combined experimental–theoretical model, we predicted that the mixed metal TMP, Fe_0.5Co_0.5P, should have a near-optimal ΔG_H. We synthesized several mixtures of Co and Fe phosphides alloys and confirmed that Fe_0.5Co_0.5P exhibits the highest HER activity of the investigated TMPs (Energy & Environmental Science, 2015). The understanding gained as to how to improve catalytic activity for the HER, particularly for non-precious metal materials, is important to DOE targets for sustainable H₂ production. OER: We have developed a SrIrO₃/IrO_x catalyst for acidic conditions (submitted, 2016). The Sr

Nuclear chemistry research of high-energy nuclear reactions at Carnegie-Mellon University, 1961--1977. Summary report. [Summaries of research activities at Carnegie-Mellon University

Energy Technology Data Exchange (ETDEWEB)

Caretto, A.A. Jr.

1977-11-01

The activities and the results of research in the study of high energy nuclear reactions carried out at Carnegie Institute of Technology from 1957 to 1967 and at Carnegie-Mellon University from 1967 to 1977 are summarized. A complete list of all publications, doctoral dissertations, and reports resulting from the research of this project is also included. A major part of the report is a review of the research activities and results. The objective of the research of this project was the study of reactions initiated by projectiles of energy above about 100 MeV. The main effort was the investigation of simple nuclear reactions with the objective to deduce reaction mechanisms. These reactions were also used as probes to determine the nuclear structure of the target. In addition, a number of studies of spallation reactions were undertaken which included the determination of excitation functions and recoil properties. Recent research activities which have involved the study of pion induced reactions as well as reactions initiated by heavy ions is also discussed.

Thermodynamic chemical energy transfer mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium chemical reactions

International Nuclear Information System (INIS)

Roh, Heui-Seol

2015-01-01

Chemical energy transfer mechanisms at finite temperature are explored by a chemical energy transfer theory which is capable of investigating various chemical mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium. Gibbs energy fluxes are obtained as a function of chemical potential, time, and displacement. Diffusion, convection, internal convection, and internal equilibrium chemical energy fluxes are demonstrated. The theory reveals that there are chemical energy flux gaps and broken discrete symmetries at the activation chemical potential, time, and displacement. The statistical, thermodynamic theory is the unification of diffusion and internal convection chemical reactions which reduces to the non-equilibrium generalization beyond the quasi-equilibrium theories of migration and diffusion processes. The relationship between kinetic theories of chemical and electrochemical reactions is also explored. The theory is applied to explore non-equilibrium chemical reactions as an illustration. Three variable separation constants indicate particle number constants and play key roles in describing the distinct chemical reaction mechanisms. The kinetics of chemical energy transfer accounts for the four control mechanisms of chemical reactions such as activation, concentration, transition, and film chemical reactions. - Highlights: • Chemical energy transfer theory is proposed for non-, quasi-, and equilibrium. • Gibbs energy fluxes are expressed by chemical potential, time, and displacement. • Relationship between chemical and electrochemical reactions is discussed. • Theory is applied to explore nonequilibrium energy transfer in chemical reactions. • Kinetics of non-equilibrium chemical reactions shows the four control mechanisms

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.

Activation-energy for the reaction h+oh--]eaq- - kinetic determination of the enthalpy and entropy of solvation of the hydrated electron

DEFF Research Database (Denmark)

Hickle, B.; Sehested, Knud

1985-01-01

The reaction between atomic hydrogen and hydroxide ion in aqueous solutions H + OH- - eaq- + H20 has been studied by pulse radiolysis. The rate constant was measured at pH 11.7 and 12 by following the growth of the hydrated electron absorption at 600 nm. The activation energy of the reaction has...

Method for Determining the Activation Energy Distribution Function of Complex Reactions by Sieving and Thermogravimetric Measurements.

Science.gov (United States)

Bufalo, Gennaro; Ambrosone, Luigi

2016-01-14

A method for studying the kinetics of thermal degradation of complex compounds is suggested. Although the method is applicable to any matrix whose grain size can be measured, herein we focus our investigation on thermogravimetric analysis, under a nitrogen atmosphere, of ground soft wheat and ground maize. The thermogravimetric curves reveal that there are two well-distinct jumps of mass loss. They correspond to volatilization, which is in the temperature range 298-433 K, and decomposition regions go from 450 to 1073 K. Thermal degradation is schematized as a reaction in the solid state whose kinetics is analyzed separately in each of the two regions. By means of a sieving analysis different size fractions of the material are separated and studied. A quasi-Newton fitting algorithm is used to obtain the grain size distribution as best fit to experimental data. The individual fractions are thermogravimetrically analyzed for deriving the functional relationship between activation energy of the degradation reactions and the particle size. Such functional relationship turns out to be crucial to evaluate the moments of the activation energy distribution, which is unknown in terms of the distribution calculated by sieve analysis. From the knowledge of moments one can reconstruct the reaction conversion. The method is applied first to the volatilization region, then to the decomposition region. The comparison with the experimental data reveals that the method reproduces the experimental conversion with an accuracy of 5-10% in the volatilization region and of 3-5% in the decomposition region.

Activation barriers for series of exothermic homologous reactions. V. Boron group diatomic species reactions

Science.gov (United States)

Blue, Alan S.; Belyung, David P.; Fontijn, Arthur

1997-09-01

Semiempirical configuration interaction (SECI) theory is used to predict activation barriers E, as defined by k(T)=ATn exp(-E/RT). Previously SECI has been applied to homologous series of oxidation reactions of s1, s2, and s2p1 metal atoms. Here it is extended to oxidation reactions of diatomic molecules containing one s2p1 atom. E values are calculated for the reactions of BH, BF, BCl, AlF, AlCl, AlBr, GaF, GaI, InCl, InBr, InI, TlF, TlCl, TlBr, and TlI with O2, CO2, SO2, or N2O. These values correlate with the sums of the ionization potentials and Σ-Π promotion energies of the former minus the electron affinities of the latter. In the earlier work n was chosen somewhat arbitrarily, which affected the absolute values of E. Here it is shown that examination of available experimental and theoretical results allows determination of the best values of n. Using this approach yields n=1.9 for the present series. For the seven reactions which have been studied experimentally, the average deviation of the SECI activation barrier prediction from experiment is 4.0 kJ mol-1. Energy barriers are calculated for another 52 reactions.

Ab initio calculation of reaction energies. III. Basis set dependence of relative energies on the FH2 and H2CO potential energy surfaces

International Nuclear Information System (INIS)

Frisch, M.J.; Binkley, J.S.; Schaefer, H.F. III

1984-01-01

The relative energies of the stationary points on the FH 2 and H 2 CO nuclear potential energy surfaces relevant to the hydrogen atom abstraction, H 2 elimination and 1,2-hydrogen shift reactions have been examined using fourth-order Moller--Plesset perturbation theory and a variety of basis sets. The theoretical absolute zero activation energy for the F+H 2 →FH+H reaction is in better agreement with experiment than previous theoretical studies, and part of the disagreement between earlier theoretical calculations and experiment is found to result from the use of assumed rather than calculated zero-point vibrational energies. The fourth-order reaction energy for the elimination of hydrogen from formaldehyde is within 2 kcal mol -1 of the experimental value using the largest basis set considered. The qualitative features of the H 2 CO surface are unchanged by expansion of the basis set beyond the polarized triple-zeta level, but diffuse functions and several sets of polarization functions are found to be necessary for quantitative accuracy in predicted reaction and activation energies. Basis sets and levels of perturbation theory which represent good compromises between computational efficiency and accuracy are recommended

Low Energy Nuclear Reactions: 2007 Update

Science.gov (United States)

Krivit, Steven B.

2007-03-01

This paper presents an overview of low energy nuclear reactions, a subset of the field of condensed matter nuclear science. Condensed matter nuclear science studies nuclear effects in and/or on condensed matter, including low energy nuclear reactions, an entirely new branch of science that gained widespread attention and notoriety beginning in 1989 with the announcement of a previously unrecognized source of energy by Martin Fleischmann and Stanley Pons that came to be known as cold fusion. Two branches of LENR are recognized. The first includes a set of reactions like those observed by Fleischmann and Pons that use palladium and deuterium and yield excess heat and helium-4. Numerous mechanisms have been proposed to explain these reactions, however there is no consensus for, or general acceptance of, any of the theories. The claim of fusion is still considered speculative and, as such, is not an ideal term for this work. The other branch is a wide assortment of nuclear reactions that may occur with either hydrogen or deuterium. Anomalous nuclear transmutations are reported that involve light as well as heavy elements. The significant questions that face this field of research are: 1) Are LENRs a genuine nuclear reaction? 2) If so, is there a release of excess energy? 3) If there is, is the energy release cost-effective?

Low energy nuclear reaction polyplasmon postulate

Energy Technology Data Exchange (ETDEWEB)

Russell, John L. [201 Heritage Drive, Apt. 208, Canton, GA 30093 (United States)], E-mail: RUSSELLJL@aol.com

2008-11-15

An explanation is proposed for the nuclear reactions that occur in the electrolysis class of LENR processes. The proposed explanation postulates that a proton, or deuteron, dissolved in the hydrogen bearing metal cathode, absorbs its associated atomic electron to become a short lived state of the neutron with the resulting neutrino in a singular wave function centered on the neutron. The energy required to initiate this endothermic reaction is supplied either by the ion current during electrolysis type experiments, or by ion bombardment in plasma type experiments. It is the energy of this bombardment of the cathode with heavy ions that creates a coherent polyplasmon field within crystalline metallic grains that are present in the metal cathode of typical active electrolysis cells. The LENR process consists of a second order reaction mediated by a coherent plasmon field excited in the conduction electrons in a hydrogen bearing metal that is in the form of crystalline grains of the order of a few microns in dimension. The coherent plasmon field in each grain is called a polyplasmon. The metallic grains typically form during solidification of a metal, the impurities being forced to the grain surfaces. The resulting grain thus forms a resonant structure that can be filled with a number of coherent plasmons, i.e., a polyplasmon. Energy from the polyplasmon is coupled to the nucleus via electron capture by hydrogen. Because the neutrino has mass, its wave function has a second class of solutions. This description can take the form of a short lived pairing with the neutron that results from electron capture by the hydrogen nucleus. This short-lived compound particle is named the 'dion' and in the case of deuterium results in a 'dineutron'. Because the dion and dineutron are formed with essentially thermal kinetic energy, they can capture in nearby nuclei, either in hydrogen or in the host metal. Most of the resulting exothermic nuclear energy is

Low energy nuclear reaction polyplasmon postulate

International Nuclear Information System (INIS)

Russell, John L.

2008-01-01

An explanation is proposed for the nuclear reactions that occur in the electrolysis class of LENR processes. The proposed explanation postulates that a proton, or deuteron, dissolved in the hydrogen bearing metal cathode, absorbs its associated atomic electron to become a short lived state of the neutron with the resulting neutrino in a singular wave function centered on the neutron. The energy required to initiate this endothermic reaction is supplied either by the ion current during electrolysis type experiments, or by ion bombardment in plasma type experiments. It is the energy of this bombardment of the cathode with heavy ions that creates a coherent polyplasmon field within crystalline metallic grains that are present in the metal cathode of typical active electrolysis cells. The LENR process consists of a second order reaction mediated by a coherent plasmon field excited in the conduction electrons in a hydrogen bearing metal that is in the form of crystalline grains of the order of a few microns in dimension. The coherent plasmon field in each grain is called a polyplasmon. The metallic grains typically form during solidification of a metal, the impurities being forced to the grain surfaces. The resulting grain thus forms a resonant structure that can be filled with a number of coherent plasmons, i.e., a polyplasmon. Energy from the polyplasmon is coupled to the nucleus via electron capture by hydrogen. Because the neutrino has mass, its wave function has a second class of solutions. This description can take the form of a short lived pairing with the neutron that results from electron capture by the hydrogen nucleus. This short-lived compound particle is named the 'dion' and in the case of deuterium results in a 'dineutron'. Because the dion and dineutron are formed with essentially thermal kinetic energy, they can capture in nearby nuclei, either in hydrogen or in the host metal. Most of the resulting exothermic nuclear energy is absorbed in the plasmon

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.

Poly (3, 4-ethylendioxithiophene) (PEDOT) oxidation: activation energy and conformational energy

International Nuclear Information System (INIS)

Otero, T F; Romero, M C

2008-01-01

The oxidation kinetics of films of the conducting polymer PEDOT-C1O4 after electrochemical reduction by polarization at increasing cathodic potential was studied by potential steps. The response i/t presents a maximum at intermediate oxidation times. At the maximum the reaction occurs under chemical kinetic control following the expected current variations from the Chemical and Electrochemical Kinetics, when reactant concentrations or temperatures are changed. The obtained activation energy of the oxidation present two ranges as a function of the cathodic potential of prepolarization: constant values after prepolarization at low cathodic potentials and a lineal variation after prepolarization at increasing high cathodic potentials. According with the conformational relaxation model during electrochemical reduction the polymer shrinks, closes and packs the conformational structure. The activation energy for the subsequent oxidation includes two terms: the constant chemical activation energy and the conformational energy required to relax the packed polymeric structure. The conformational energy only appears after prepolarization at more cathodic potentials than the closing potential where more packed conformations were obtained. The conformational activation energy accounts the energetic requirements to relax and unfold the polymeric chains generating the required free volume to lodge balancing counterions; meanwhile the chemical activation energy accounts the energetic requirements for the electrochemical reaction to occur.

Calculation of reaction energies and adiabatic temperatures for waste tank reactions

International Nuclear Information System (INIS)

Burger, L.L.

1995-10-01

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

Calculation of reaction energies and adiabatic temperatures for waste tank reactions

Energy Technology Data Exchange (ETDEWEB)

Burger, L.L.

1995-10-01

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

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.

Theoretical calculation of n + {sup 59}Co reaction in energy region up to 100 MeV

Energy Technology Data Exchange (ETDEWEB)

Qingbiao, Shen; Baosheng, Yu; Dunjiu, Cai [Chinese Nuclear Data Center, Beijing, BJ (China)

1996-06-01

A set of neutron optical potential parameters for {sup 59}Co in energy region of 2{approx}100 MeV was obtained based on concerned experimental data. Various cross sections of n + {sup 59}Co reactions were calculated and predicted. The calculated results show that the activation products {sup 58,57}Co, {sup 59}Fe and {sup 56}Mn are main neutron monitor reaction products for n + {sup 59}Co reaction in energy range up to 100 MeV. {sup 54}Mn production reaction can be a promising neutron monitor reaction in the energy region from 30 to 100 MeV. (6 figs.).

Measurements of activation cross-sections for the 101Ru(n,p)101Tc reaction for neutrons with energies between 13 and 15 MeV

International Nuclear Information System (INIS)

Junhua Luo; Peking University, Beijing; Jiuning Han; Suhong Ge; Zhenlai Liu; Guihua Sun; Rong Liu; Li Jiang

2013-01-01

In this study, activation cross-sections were measured for the 101 Ru(n,p) 101 Tc reaction at three different neutron energies from 13.5 to 14.8 MeV. The fast neutrons were produced via the 3 H(d,n) 4 He reaction on K-400 neutron generator. Induced gamma activities were measured by a high-resolution gamma-ray spectrometer with high-purity germanium detector. Measurements were corrected for gamma-ray attenuations, random coincidence (pile-up), dead time and fluctuation of neutron flux. The data for 101 Ru(n,p) 101 Tc reaction cross-sections are reported to be 15.7 ± 2.0, 18.4 ± 2.7 and 22.0 ± 2.4 mb at 13.5 ± 0.2, 14.1 ± 0.2, and 14.8 ± 0.2 MeV incident neutron energies, respectively. Results were compared with the previous works. (author)

Reaction wheels for kinetic energy storage

Science.gov (United States)

Studer, P. A.

1984-11-01

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

Synthesis and electrocatalytic activity towards oxygen reduction reaction of gold-nanostars

OpenAIRE

Oyunbileg G; Batnyagt G; Enkhsaruul B; T Takeguchi

2018-01-01

The oxygen reduction reaction (ORR) is a characteristic reaction which determines the performance of fuel cells which convert a chemical energy into an electrical energy. Aims of this study are to synthesize Au-based nanostars (AuNSs) and determine their preliminary electro-catalytic activities towards ORR by a rotating-disk electrode method in alkaline electrolyte. The images obtained from a scanning electron microscope (SEM) and a transmission electron microscope (TEM) analyses confirm the ...

Nuclear chemistry research of high-energy nuclear reactions at Carnegie-Mellon University, 1961--1977. Summary report

International Nuclear Information System (INIS)

Caretto, A.A. Jr.

1977-11-01

The activities and the results of research in the study of high energy nuclear reactions carried out at Carnegie Institute of Technology from 1957 to 1967 and at Carnegie-Mellon University from 1967 to 1977 are summarized. A complete list of all publications, doctoral dissertations, and reports resulting from the research of this project is also included. A major part of the report is a review of the research activities and results. The objective of the research of this project was the study of reactions initiated by projectiles of energy above about 100 MeV. The main effort was the investigation of simple nuclear reactions with the objective to deduce reaction mechanisms. These reactions were also used as probes to determine the nuclear structure of the target. In addition, a number of studies of spallation reactions were undertaken which included the determination of excitation functions and recoil properties. Recent research activities which have involved the study of pion induced reactions as well as reactions initiated by heavy ions is also discussed

Synthesis and electrocatalytic activity towards oxygen reduction reaction of gold-nanostars

Directory of Open Access Journals (Sweden)

Oyunbileg G

2018-02-01

Full Text Available The oxygen reduction reaction (ORR is a characteristic reaction which determines the performance of fuel cells which convert a chemical energy into an electrical energy. Aims of this study are to synthesize Au-based nanostars (AuNSs and determine their preliminary electro-catalytic activities towards ORR by a rotating-disk electrode method in alkaline electrolyte. The images obtained from a scanning electron microscope (SEM and a transmission electron microscope (TEM analyses confirm the formation of the star-shaped nanoparticles. Among the investigated nanostar catalysts, an AuNS5 with smaller size and a few branches showed the higher electrocatalytic activity towards ORR than other catalysts with a bigger size. In addition, the electron numbers transferred for all the catalysts are approximately two. The present study results infer that the size of the Au-based nanostars may influence greatly on their catalytic activity. The present study results show that the further improvement is needed for Au-based nanostar catalysts towards the ORR reaction.

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

Calculation of the intermediate energy activation cross section

Energy Technology Data Exchange (ETDEWEB)

Furihata, Shiori; Yoshizawa, Nobuaki [Mitsubishi Research Inst., Inc., Tokyo (Japan)

1997-03-01

We discussed the activation cross section in order to predict accurately the activation of soil around an accelerator with high energy and strong intensity beam. For the assessment of the accuracy of activation cross sections estimated by a numerical model, we compared the calculated cross section with various experimental data, for Si(p,x){sup 22}Na, Al(p,x){sup 22}Na, Fe(p,x){sup 22}Na, Si(p,x){sup 7}Be, O(p,x){sup 3}H, Al(p,x){sup 3}H and Si(p,x){sup 3}H reactions. We used three computational codes, i.e., quantum molecular dynamics (QMD) plus statistical decay model (SDM), HETC-3STEP and the semiempirical method developed by Silberberg et.al. It is observed that the codes are accurate above 1GeV, except for {sup 7}Be production. We also discussed the difference between the activation cross sections of proton- and neutron-induced reaction. For the incident energy at 40MeV, it is found that {sup 3}H production cross sections of neutron-induced reaction are ten times as large as those of proton-induced reaction. It is also observed that the choice of the activation cross sections seriously affects to the estimate of saturated radioactivity, if the maximum energy of neutron flux is below 100MeV. (author)

CORRELATION BETWEEN PREEXPONENTIAL FACTOR AND ACTIVATION ENERGY OF ISOAMYLALCOHOL HYDROGENOLYSIS ON PLATINUM CATALYSTS

Directory of Open Access Journals (Sweden)

Triyono Triyono

2010-06-01

Full Text Available Arrhenius equation stated that reaction will proceed faster at higher temperature and with lower activation energy (Ea. Many literatures reported that preexponential factor (A is constant for certain reaction and there is no relation between A and Ea. Experiment on the reaction of isoamylalcohol hydrogenolysis showed that logarithm of A increased linearly with Ea. The result of this investigation suggests that the rate of a process is affected by the number of active centers on the surface of a catalysts, which influences the value of the pre-exponential term in the expression for the rate constant of a reaction. An increase in the number of active centers corresponds to a higher value of A, the active centers would be less effective and is attended by a growth in the value of Ea. Therefore, reaction with lower activation energy will not always has higher reaction rate due to decreasing of Ea.   Keywords: isoamylalcohol hydrogenolysis, preexponential factor, activation  energy.

High energy gamma-ray production in nuclear reactions

International Nuclear Information System (INIS)

Pinston, J.A.; Nifenecker, H.; Nifenecker, H.

1989-01-01

Experimental techniques used to study high energy gamma-ray production in nuclear reactions are reviewed. High energy photon production in nucleus-nucleus collisions is discussed. Semi-classical descriptions of the nucleus-nucleus gamma reactions are introduced. Nucleon-nucleon gamma cross sections are considered, including theoretical aspects and experimental data. High energy gamma ray production in proton-nucleus reactions is explained. Theoretical explanations of photon emission in nucleus-nucleus collisions are treated. The contribution of charged pion currents to photon production is mentioned

Enrichment: CRISLA [chemical reaction by isotope selective activation] aims to reduce costs

International Nuclear Information System (INIS)

Eerkens, J.W.

1989-01-01

Every year, more than $3 billion is spent on enriching uranium. CRISLA (Chemical Reaction by Isotope Selective Activation) uses a laser-catalyzed chemical reaction which, its proponents claim, could substantially reduce these costs. In CRISLA, an infrared CO laser illuminates the intracavity reaction cell (IC) at a frequency tuned to excite primarily UF 6 . When UF 6 and co-reactant RX are passed through the IC, the tuned laser photons preferentially enhance the reaction of UF 6 with RX ten-thousand-fold over the thermal reaction rate. Thus the laser serves as an activator and the chemical energy for separation is largely chemical. (author)

Enhancement Mechanisms of Low Energy Nuclear Reactions

OpenAIRE

Gareev, F. A.; Zhidkova, I. E.

2005-01-01

The review of possible stimulation mechanisms of LENR (low energy nuclear reaction) is represented. We have concluded that transmutation of nuclei at low energies and excess heat are possible in the framework of the modern physical theory - the universal resonance synchronization principle [1] and based on its different enhancement mechanisms of reaction rates are responsible for these processes [2]. The excitation and ionization of atoms may play role as a trigger for LENR. Superlow energy o...

Heavy ion reactions at low energies

International Nuclear Information System (INIS)

Nemes, M.C.

1985-01-01

Some general features of the heavy ion reactions at low energies are presented. Some kinds of processes are studied, such as: elastic scattering, peripherical reactions, deep inelastic collisions and fusion. Both, theoretical and experimental perspectives on this field are discussed. (L.C.) [pt

Calculation of reaction energies and adiabatic temperatures for waste tank reactions

International Nuclear Information System (INIS)

Burger, L.L.

1993-03-01

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

Universal dependence of hydrogen oxidation and evolution reaction activity of platinum-group metals on pH and hydrogen binding energy.

Science.gov (United States)

Zheng, Jie; Sheng, Wenchao; Zhuang, Zhongbin; Xu, Bingjun; Yan, Yushan

2016-03-01

Understanding how pH affects the activity of hydrogen oxidation reaction (HOR) and hydrogen evolution reaction (HER) is key to developing active, stable, and affordable HOR/HER catalysts for hydroxide exchange membrane fuel cells and electrolyzers. A common linear correlation between hydrogen binding energy (HBE) and pH is observed for four supported platinum-group metal catalysts (Pt/C, Ir/C, Pd/C, and Rh/C) over a broad pH range (0 to 13), suggesting that the pH dependence of HBE is metal-independent. A universal correlation between exchange current density and HBE is also observed on the four metals, indicating that they may share the same elementary steps and rate-determining steps and that the HBE is the dominant descriptor for HOR/HER activities. The onset potential of CO stripping on the four metals decreases with pH, indicating a stronger OH adsorption, which provides evidence against the promoting effect of adsorbed OH on HOR/HER.

Dynamics of anion-molecule reactions at low energy

International Nuclear Information System (INIS)

Mikosch, J.

2007-11-01

Anion-molecule reactions must find their way through deeply bound entrance and exit channel complexes separated by a central barrier. This results in low reaction rates and rich dynamics since direct pathways compete with the formation of transient intermediates. In this thesis we examine the probability of proton transfer to a small anion and transient lifetimes of a thermoneutral bimolecular nucleophilic substitution (S N 2) reaction at well defined variable temperature down to 8 Kelvin in a multipole trap. The observed strong inverse temperature dependence is attributed to the deficit of available quantum states in the entrance channel at decreasing temperature. Furthermore we investigate scattering dynamics of S N 2 reactions at defined relative energy between 0.4 and 10 eV by crossed beam slice imaging. A weakly exothermic reaction with high central barrier proceeds via an indirect, complex-mediated mechanism at low relative energies featuring high internal product excitation in excellent quantitative agreement with a statistical model. In contrast, direct backward scattering prevails for higher energies with product velocities close to the kinematical cutoff. For a strongly exothermic reaction, competing S N 2-, dihalide- and proton transfer-channels are explored which proceed by complex mediation for low energy and various rebound-, grazing- and collision induced bond rupture-mechanisms at higher energy. From our data and a collaboration with theory we identify a new indirect roundabout S N 2 mechanism involving CH 3 -rotation. (orig.)

Dynamics of anion-molecule reactions at low energy

Energy Technology Data Exchange (ETDEWEB)

Mikosch, J.

2007-11-15

Anion-molecule reactions must find their way through deeply bound entrance and exit channel complexes separated by a central barrier. This results in low reaction rates and rich dynamics since direct pathways compete with the formation of transient intermediates. In this thesis we examine the probability of proton transfer to a small anion and transient lifetimes of a thermoneutral bimolecular nucleophilic substitution (S{sub N}2) reaction at well defined variable temperature down to 8 Kelvin in a multipole trap. The observed strong inverse temperature dependence is attributed to the deficit of available quantum states in the entrance channel at decreasing temperature. Furthermore we investigate scattering dynamics of S{sub N}2 reactions at defined relative energy between 0.4 and 10 eV by crossed beam slice imaging. A weakly exothermic reaction with high central barrier proceeds via an indirect, complex-mediated mechanism at low relative energies featuring high internal product excitation in excellent quantitative agreement with a statistical model. In contrast, direct backward scattering prevails for higher energies with product velocities close to the kinematical cutoff. For a strongly exothermic reaction, competing S{sub N}2-, dihalide- and proton transfer-channels are explored which proceed by complex mediation for low energy and various rebound-, grazing- and collision induced bond rupture-mechanisms at higher energy. From our data and a collaboration with theory we identify a new indirect roundabout S{sub N}2 mechanism involving CH{sub 3}-rotation. (orig.)

Catalytic activity of catalysts for steam reforming reaction. Contract research

Energy Technology Data Exchange (ETDEWEB)

Ohashi, Hirofumi; Inagaki, Yoshiyuki [Japan Atomic Energy Research Inst., Oarai, Ibaraki (Japan). Oarai Research Establishment

2003-05-01

Japan Atomic Energy Research Institute has been developing a hydrogen production system by means of steam reforming of methane (chemical reation: CH{sub 4} + H{sub 2}O = CO + 3H{sub 2}) coupling with High Temperature Engineering Test Reactor (HTTR) to demonstrate effectiveness of high-temperature nuclear heat utilization. Prior to construction of HTTR hydrogen production system, a mock-up test facility with a full-scale reaction tube was constructed to investigate transient behavior of the hydrogen production system an establish system controllability. In order to predict transient behavior and hydrogen productivity of the hydrogen production system, it is important to estimate the reaction characteristics under the same temperature and pressure conditions as those of HTTR hydrogen production system. For the purpose of investigate an apparent activation energy of catalysts, catalytic activity test using small apparatus was carried out under the condition of methane flow rate from 1.18 x 10{sup -3} to 3.19 x 10{sup -3} mol/s, temperature from 500 to 900degC, pressure from 1.1 to 4.1MPa, and mol ratio of steam to methane from 2.5 to 3.5. It was confirmed that apparent activation energies of two kinds of Ni catalysts which are to be used in the mock-up test were 51.7 and 57.4kJ/mol, respectively, and reaction rate constants were propositional to the value from P{sup -0.15} to P{sup -0.33}. (author)

A new type of power energy for accelerating chemical reactions: the nature of a microwave-driving force for accelerating chemical reactions.

Science.gov (United States)

Zhou, Jicheng; Xu, Wentao; You, Zhimin; Wang, Zhe; Luo, Yushang; Gao, Lingfei; Yin, Cheng; Peng, Renjie; Lan, Lixin

2016-04-27

The use of microwave (MW) irradiation to increase the rate of chemical reactions has attracted much attention recently in nearly all fields of chemistry due to substantial enhancements in reaction rates. However, the intrinsic nature of the effects of MW irradiation on chemical reactions remains unclear. Herein, the highly effective conversion of NO and decomposition of H2S via MW catalysis were investigated. The temperature was decreased by several hundred degrees centigrade. Moreover, the apparent activation energy (Ea') decreased substantially under MW irradiation. Importantly, for the first time, a model of the interactions between microwave electromagnetic waves and molecules is proposed to elucidate the intrinsic reason for the reduction in the Ea' under MW irradiation, and a formula for the quantitative estimation of the decrease in the Ea' was determined. MW irradiation energy was partially transformed to reduce the Ea', and MW irradiation is a new type of power energy for speeding up chemical reactions. The effect of MW irradiation on chemical reactions was determined. Our findings challenge both the classical view of MW irradiation as only a heating method and the controversial MW non-thermal effect and open a promising avenue for the development of novel MW catalytic reaction technology.

New aspects of high energy heavy-ion transfer reactions

International Nuclear Information System (INIS)

Scott, D.K.

1975-03-01

New aspects of heavy ion reactions at incident energies in the region of 10 MeV/nucleon are discussed with an emphasis on the peripheral nature of the collisions, which leads to simplicities in the differential cross sections. The distortion of the peripheral distribution through the interference of direct and multistep processes is used to illustrate aspects of high energy reactions unique to heavy ions. The simplicities of the distributions for reactions on lighter nuclei are exploited to give new information about nuclear structure from direct and compound reactions at high energy. (16 figures, 32 references) (U.S.)

Nuclear reactions induced by high-energy alpha particles

Science.gov (United States)

Shen, B. S. P.

1974-01-01

Experimental and theoretical studies of nuclear reactions induced by high energy protons and heavier ions are included. Fundamental data needed in the shielding, dosimetry, and radiobiology of high energy particles produced by accelerators were generated, along with data on cosmic ray interaction with matter. The mechanism of high energy nucleon-nucleus reactions is also examined, especially for light target nuclei of mass number comparable to that of biological tissue.

Consistent post-reaction vibrational energy redistribution in DSMC simulations using TCE model

Science.gov (United States)

Borges Sebastião, Israel; Alexeenko, Alina

2016-10-01

The direct simulation Monte Carlo (DSMC) method has been widely applied to study shockwaves, hypersonic reentry flows, and other nonequilibrium flow phenomena. Although there is currently active research on high-fidelity models based on ab initio data, the total collision energy (TCE) and Larsen-Borgnakke (LB) models remain the most often used chemistry and relaxation models in DSMC simulations, respectively. The conventional implementation of the discrete LB model, however, may not satisfy detailed balance when recombination and exchange reactions play an important role in the flow energy balance. This issue can become even more critical in reacting mixtures involving polyatomic molecules, such as in combustion. In this work, this important shortcoming is addressed and an empirical approach to consistently specify the post-reaction vibrational states close to thermochemical equilibrium conditions is proposed within the TCE framework. Following Bird's quantum-kinetic (QK) methodology for populating post-reaction states, the new TCE-based approach involves two main steps. The state-specific TCE reaction probabilities for a forward reaction are first pre-computed from equilibrium 0-D simulations. These probabilities are then employed to populate the post-reaction vibrational states of the corresponding reverse reaction. The new approach is illustrated by application to exchange and recombination reactions relevant to H2-O2 combustion processes.

Heavy ion reactions at high energies

International Nuclear Information System (INIS)

Jakobsson, Bo.

1977-01-01

A review on heavy ion experiments at energies >0.1GeV/nucleon is presented. Reaction cross-sections, isotope production cross-sections and pion production in nucleus-nucleus collisions are discussed. Some recent models for heavy ion reactions like the abrasion-ablation model, the fireball model and the different shock-wave models are also presented

Precompound decay models for medium energy nuclear reactions

International Nuclear Information System (INIS)

Blann, M.

1989-11-01

The formulations used for precompound decay models are presented and explained in terms of the physics of the intranuclear cascade model. Several features of spectra of medium energy (10--1000 MeV) reactions are summarized. Results of precompound plus evaporation calculations from the code ALICE are compared with a wide body of proton, alpha, and heavy ion induced reaction data to illustrate both the power and deficiencies of predicting yield of these reactions in the medium energy regime. 23 refs., 13 figs

Decay to Equilibrium for Energy-Reaction-Diffusion Systems

KAUST Repository

Haskovec, Jan

2018-02-06

We derive thermodynamically consistent models of reaction-diffusion equations coupled to a heat equation. While the total energy is conserved, the total entropy serves as a driving functional such that the full coupled system is a gradient flow. The novelty of the approach is the Onsager structure, which is the dual form of a gradient system, and the formulation in terms of the densities and the internal energy. In these variables it is possible to assume that the entropy density is strictly concave such that there is a unique maximizer (thermodynamical equilibrium) given linear constraints on the total energy and suitable density constraints. We consider two particular systems of this type, namely, a diffusion-reaction bipolar energy transport system, and a drift-diffusion-reaction energy transport system with confining potential. We prove corresponding entropy-entropy production inequalities with explicitly calculable constants and establish the convergence to thermodynamical equilibrium, first in entropy and later in L norm using Cziszár–Kullback–Pinsker type inequalities.

Decay to Equilibrium for Energy-Reaction-Diffusion Systems

KAUST Repository

Haskovec, Jan; Hittmeir, Sabine; Markowich, Peter A.; Mielke, Alexander

2018-01-01

We derive thermodynamically consistent models of reaction-diffusion equations coupled to a heat equation. While the total energy is conserved, the total entropy serves as a driving functional such that the full coupled system is a gradient flow. The novelty of the approach is the Onsager structure, which is the dual form of a gradient system, and the formulation in terms of the densities and the internal energy. In these variables it is possible to assume that the entropy density is strictly concave such that there is a unique maximizer (thermodynamical equilibrium) given linear constraints on the total energy and suitable density constraints. We consider two particular systems of this type, namely, a diffusion-reaction bipolar energy transport system, and a drift-diffusion-reaction energy transport system with confining potential. We prove corresponding entropy-entropy production inequalities with explicitly calculable constants and establish the convergence to thermodynamical equilibrium, first in entropy and later in L norm using Cziszár–Kullback–Pinsker type inequalities.

Enhanced emission of high-energy photons perpendicular to the reaction plane in α+Th reactions

International Nuclear Information System (INIS)

Tegner, P.; Marianski, B.; Morsch, H.P.; Rogge, M.; Bargholtz, C.; Decowski, P.; Zemlo, L.

1991-01-01

High-energy photon and neutron emission has been measured in coincidence with fission fragments in α+ 232 Th reactions at 170 MeV. From measurements parallel and perpendicular to the fission plane, anisotropies relative to the reaction plane were determined. The in-plane/out-of-plane intensity ratio is 0.72(7) for photons with energies above 20 MeV and 11(3) for neutrons at 35 MeV. The result for high-energy photons can be explained by nucleon-nucleon bremsstrahlung if the initial flow of nucleons has a correlation to the reaction plane similar to the one observed for fast neutrons

Multi-step direct reactions at low energies

International Nuclear Information System (INIS)

Marcinkowski, A.; Marianski, B.

2001-01-01

Full text: The theory of the multistep direct (MSD) reactions of Feshbach, Kerman and Koonin has for quite some time become a subject of controversy due to the bi orthogonal distorted waves involved in the transition amplitudes describing the MSD cross sections. The bi orthogonal wave functions result in non-normal DWBA matrix elements, that can be expressed in terms of normal DWBA matrix elements multiplied by the inverse elastic scattering S-matrix. It has been argued that the enhancing inverse S-factors are washed out by averaging over energy in the continuum. As a result normal DWBA matrix elements are commonly used in practical calculations. Almost all analyses of inelastic scattering and charge-exchange reactions using the DWBA matrix elements have concluded that nucleon emission at low energies can be described as one-step reaction mainly. On the other hand, it has been shown that the limits imposed by the energy weighted sum rules (EWSR's) on transition of given angular momentum transfer lead to a significant reduction of the one step cross section that can be compensated by the enhanced MSD cross sections obtained with the use of the non-normal DWBA matrix elements. Very recently the MSD theory of FKK was modified to include collective excitations and the non-normal DWBA matrix elements and the prescription for calculations of the cross sections for the MSD reactions was given. In the present paper we present the results of the modified theory used for describing the 93 Nb (n,xn) 93 Nb reaction at incident energy of 20 MeV and the 65 Cu (p,xn) 65 Zn reaction at 27 MeV. The results show enhanced contributions from two-, three- and four step reactions. We investigate the importance of the multi-phonon, multi particle hole and the mixed particle hole-phonon excitations in neutron scattering to the continuum. We also show the importance of the different sequences of collisions of the leading continuum nucleon that contribute to the MSD (p,n) reaction. When all

The energy spectrum of neutrons from 7Li(d,n)8Be reaction at deuteron energy 2.9 MeV

Science.gov (United States)

Mitrofanov, Konstantin V.; Piksaikin, Vladimir M.; Zolotarev, Konstantin I.; Egorov, Andrey S.; Gremyachkin, Dmitrii E.

2017-09-01

The neutron beams generated at the electrostatic accelerators using nuclear reactions T(p,n)3He, D(d,n)3He, 7Li(p,n)7Be, T(d,n)4He, 7Li(d,n)8Be, 9Be(d,n)10B are widely used in neutron physics and in many practical applications. Among these reactions the least studied reactions are 7Li(d,n)8Be and 9Be(d,n)10B. The present work is devoted to the measurement of the neutron spectrum from 7Li(d,n)8Be reaction at 0∘ angle to the deuteron beam axis on the electrostatic accelerator Tandetron (JSC "SSC RF - IPPE") using activation method and a stilbene crystal scintillation detector. The first time ever 7Li(d,n)8Be reaction was measured by activation method. The target was a thick lithium layer on metallic backing. The energy of the incident deuteron was 2.9 MeV. As activation detectors a wide range of nuclear reactions were used: 27Al(n,p)27Mg, 27Al(n,α)24Na, 113In(n,n')113mIn, 115In(n,n')115mIn, 115In(n,γ)116mIn, 58Ni(n,p)58mCo, 58Ni(n,2n)57Ni, 197Au(n,γ)198Au, 197Au(n,2n)196Au, 59Co(n,p)59Fe, 59Co(n,2n)58m+gCo, 59Co (n,g)60Co. Measurement of the induced gamma-activity was carried out using HPGe detector Canberra GX5019 [1]. The up-to-date evaluations of the cross sections for these reactions were used in processing of the data. The program STAYSL was used to unfold the energy spectra. The neutron spectra obtained by activation detectors is consistent with the corresponding data measured by a stilbene crystal scintillation detector within their uncertainties.

The energy spectrum of neutrons from 7Li(d,n8Be reaction at deuteron energy 2.9 MeV

Directory of Open Access Journals (Sweden)

Mitrofanov Konstantin V.

2017-01-01

Full Text Available The neutron beams generated at the electrostatic accelerators using nuclear reactions T(p,n3He, D(d,n3He, 7Li(p,n7Be, T(d,n4He, 7Li(d,n8Be, 9Be(d,n10B are widely used in neutron physics and in many practical applications. Among these reactions the least studied reactions are 7Li(d,n8Be and 9Be(d,n10B. The present work is devoted to the measurement of the neutron spectrum from 7Li(d,n8Be reaction at 0∘ angle to the deuteron beam axis on the electrostatic accelerator Tandetron (JSC “SSC RF – IPPE” using activation method and a stilbene crystal scintillation detector. The first time ever 7Li(d,n8Be reaction was measured by activation method. The target was a thick lithium layer on metallic backing. The energy of the incident deuteron was 2.9 MeV. As activation detectors a wide range of nuclear reactions were used: 27Al(n,p27Mg, 27Al(n,α24Na, 113In(n,n'113mIn, 115In(n,n'115mIn, 115In(n,γ116mIn, 58Ni(n,p58mCo, 58Ni(n,2n57Ni, 197Au(n,γ198Au, 197Au(n,2n196Au, 59Co(n,p59Fe, 59Co(n,2n58m+gCo, 59Co (n,g60Co. Measurement of the induced gamma-activity was carried out using HPGe detector Canberra GX5019 [1]. The up-to-date evaluations of the cross sections for these reactions were used in processing of the data. The program STAYSL was used to unfold the energy spectra. The neutron spectra obtained by activation detectors is consistent with the corresponding data measured by a stilbene crystal scintillation detector within their uncertainties.

Free Energy Contribution Analysis Using Response Kernel Approximation: Insights into the Acylation Reaction of a Beta-Lactamase.

Science.gov (United States)

Asada, Toshio; Ando, Kanta; Bandyopadhyay, Pradipta; Koseki, Shiro

2016-09-08

A widely applicable free energy contribution analysis (FECA) method based on the quantum mechanical/molecular mechanical (QM/MM) approximation using response kernel approaches has been proposed to investigate the influences of environmental residues and/or atoms in the QM region on the free energy profile. This method can evaluate atomic contributions to the free energy along the reaction path including polarization effects on the QM region within a dramatically reduced computational time. The rate-limiting step in the deactivation of the β-lactam antibiotic cefalotin (CLS) by β-lactamase was studied using this method. The experimentally observed activation barrier was successfully reproduced by free energy perturbation calculations along the optimized reaction path that involved activation by the carboxylate moiety in CLS. It was found that the free energy profile in the QM region was slightly higher than the isolated energy and that two residues, Lys67 and Lys315, as well as water molecules deeply influenced the QM atoms associated with the bond alternation reaction in the acyl-enzyme intermediate. These facts suggested that the surrounding residues are favorable for the reactant complex and prevent the intermediate from being too stabilized to proceed to the following deacylation reaction. We have demonstrated that the free energy contribution analysis should be a useful method to investigate enzyme catalysis and to facilitate intelligent molecular design.

Energy and Molecules from Photochemical/Photocatalytic Reactions. An Overview

Directory of Open Access Journals (Sweden)

Davide Ravelli

2015-01-01

Full Text Available Photocatalytic reactions have been defined as those processes that require both a (not consumed catalyst and light. A previous definition was whether such reactions brought a system towards or away from the (thermal equilibrium. This consideration brings in the question whether a part of the photon energy is incorporated into the photochemical reaction products. Data are provided for representative organic reactions involving or not molecular catalysts and show that energy storage occurs only when a heavily strained structure is generated, and in that case only a minor part of photon energy is actually stored (ΔG up to 25 kcal·mol−1. The green role of photochemistry/photocatalysis is rather that of forming highly reactive intermediates under mild conditions.

Reaction mechanism in high energy heavy-ion collisions

International Nuclear Information System (INIS)

Tanihata, Isao.

1982-04-01

The reaction mechanism in high energy heavy-ion collision is discussed. The discussion is mainly based on the experimental data. Empirical equations have been given for the total cross-sections of nucleus-nucleus reactions and the reaction cross-sections. These cross-sections are well described by the geometrical size of the colliding nuclei. The cross-sections are also understood by microscopic calculation. The charged particle multiplicity gives additional information about the geometrical aspect of heavy ion collision. The data suggested that the total energy, independent of projectile size, is most important for determining the multiplicity. The inclusive proton spectrum in a heavy ion collision showed two distinct regions. The one is the fragment region, and the other the participant region. The spectral shapes of inclusive pion spectra are reasonably well explained by the Coulomb interaction of pions with nuclear fragments. The high energy heavy ion reaction occurs in the overlap region of the projectile and target. This has been tested by measuring the number of participants for various reactions. The space and the time structure of the collision are also discussed in this paper as well as the dynamical aspects of the collision. (Kato, T.)

Energy and Rate Determinations to Activate the C-C σ-BOND of Acetone by Gaseous NI^+

Science.gov (United States)

Castleberry, Vanessa A.; Dee, S. Jason; Villarroel, Otsmar J.; Laboren, Ivanna E.; Frey, Sarah E.; Bellert, Darrin J.

2009-06-01

A unique application of a custom fabricated photodissociation spectrometer permits the determination of thermodynamic properties (activation energies), reaction rates, and mechanistic details of bare metal cation mediated C-C σ-bond activation in the gas phase. Specifically, the products and rates resulting from the unimolecular decomposition of the Ni^+Acetone (Ni^+Ac) adduct are monitored after absorption of a known amount of energy. The three dissociative products which are observed in high yield are Ni^+, Ni^+CO, and CH3CO^+. The latter two fragment ions result from the activation of a C-C σ-bond. It was found that minimally 14 000 cm^{-1} of energy must be deposited into the adduct ion to induce C-C bond breakage. Preliminary results for the Ni^+ activation of the C-C σ-bond of acetone indicate that there are (at least) two low energy reaction coordinates leading to C-C bond breakage. The lower energy pathway emerges from the doublet ground state with an upper limit to the activation energy of 14 000 cm^{-1} and reaction rate ≈0.14 molecules/μs. The higher energy path is assumed to be along the quartet reaction coordinate with a minimum activation energy of 18 800 cm^{-1} (relative to the ground state) and a slightly slower reaction rate.

Optimal Electrical Energy Slewing for Reaction Wheel Spacecraft

Science.gov (United States)

Marsh, Harleigh Christian

The results contained in this dissertation contribute to a deeper level of understanding to the energy required to slew a spacecraft using reaction wheels. This work addresses the fundamental manner in which spacecrafts are slewed (eigenaxis maneuvering), and demonstrates that this conventional maneuver can be dramatically improved upon in regards to reduction of energy, dissipative losses, as well as peak power. Energy is a fundamental resource that effects every asset, system, and subsystem upon a spacecraft, from the attitude control system which orients the spacecraft, to the communication subsystem to link with ground stations, to the payloads which collect scientific data. For a reaction wheel spacecraft, the attitude control system is a particularly heavy load on the power and energy resources on a spacecraft. The central focus of this dissertation is reducing the burden which the attitude control system places upon the spacecraft in regards to electrical energy, which is shown in this dissertation to be a challenging problem to computationally solve and analyze. Reducing power and energy demands can have a multitude of benefits, spanning from the initial design phase, to in-flight operations, to potentially extending the mission life of the spacecraft. This goal is approached from a practical standpoint apropos to an industry-flight setting. Metrics to measure electrical energy and power are developed which are in-line with the cost associated to operating reaction wheel based attitude control systems. These metrics are incorporated into multiple families of practical high-dimensional constrained nonlinear optimal control problems to reduce the electrical energy, as well as the instantaneous power burdens imposed by the attitude control system upon the spacecraft. Minimizing electrical energy is shown to be a problem in L1 optimal control which is nonsmooth in regards to state variables as well as the control. To overcome the challenge of nonsmoothness, a

High energy photons production in nuclear reactions

International Nuclear Information System (INIS)

Nifenecker, H.; Pinston, J.A.

1990-01-01

Hard photon production, in nucleus-nucleus collisions, were studied at beam energies between 10 and 125 MeV. The main characteristics of the photon emission are deduced. They suggest that the neutron-proton collisions in the early stage of the reaction are the main source of high energy gamma-rays. An overview of the theoretical approaches is given and compared with experimental results. Theoretical attempts to include the contribution of charged pion exchange currents to photon production, in calculations of proton-nucleus-gamma and nucleus-nucleus-gamma reactions, showed suitable fitting with experimental data

Activation cross sections of deuteron induced reactions on niobium in the 30–50 MeV energy range

International Nuclear Information System (INIS)

Ditrói, F.; Tárkányi, F.; Takács, S.; Hermanne, A.; Ignatyuk, A.V.

2016-01-01

Highlights: • Deuteron induced nuclear reactions on natural niobium up to 50 MeV. • Stacked foil irradiation technique. • Comparison of results with the ALICE-D, EMPIRE-D and TENDL-2015 calculations. • Application of radioisotopes in medicine and industry. - Abstract: Activation cross-sections of deuterons induced reactions on Nb targets were determined with the aim of different applications and comparison with theoretical models. We present the experimental excitation functions of "9"3Nb(d,x)"9"3"m","9"0Mo, "9"2"m","9"1"m","9"0Nb, "8"9","8"8Zr and "8"8","8"7"m","8"7"gY in the energy range of 30–50 MeV. The results were compared with earlier measurements and with the cross-sections calculated by means of the theoretical model codes ALICE-D, EMPIRE-D and TALYS (on-line TENDL-2014 and TENDL-2015 libraries). Possible applications of the radioisotopes are discussed in detail.

Caging in high energy reactions

International Nuclear Information System (INIS)

Ache, H.J.

1977-01-01

The concept of caging high energy reactions is considered. It is noted that there is no easy and unambiguous way, short of a complete and very tedious product and mechanistic analysis, which is feasible only for very few systems, to determine the contribution made by caging. It is emphasized that some products resulting from the hot reaction with a certain substrate may be formed via caging while others are not. In research on the mechanism of caging the results of Roots work on the reactions of hot 18 F with the CF 3 CH 3 system seem to provide evidence for caging, with 18 F being the caged moiety, thus proceeding via a radical--radical recombination mechanism. Their work with H 2 S additive also seems to indicate that scavenging via hydrogen abstraction from H 2 S to form does not interfere with the radical--radical recombination consistent with Bunkers molecular approach to explain the cage effects. In other research a series of observations resulting from stereochemical and combined stereochemical density variation techniques seem to favor a caged-complex. It is clear that a more conclusive answer can only be reached by more systematic studies, utilizing the whole range of nuclear reactions such as (n,2n), (n,γ) and E.C. processes in mechanistically well defined systems to elucidate the effect of variations in the recoil energies, by carrying out studies in different solvents or host substances to assess the effect of the physical parameters, such as molecule size and intermolecular interactions on the escape probability or caging efficiencies

Photonuclear reactions at intermediate energy

International Nuclear Information System (INIS)

Koch, J.H.

1982-01-01

The dominant feature of photonuclear reactions at intermediate energies is the excitation of the δ resonance and one can therefore use such reactions to study the dynamics of δ propagation in a nucleus. Following an introductory section the author comments on photoabsorption on a single nucleon in Section II. A review of the δ-n Greens function and of the photonuclear amplitude is given in Section III. Results for photoabsorption on 4 He are shown in Section IV and compared with the data. Coherent π 0 photoproduction is discussed in Section V and calculations for 12 C are compared to recent measurements. (Auth.)

Self-activated, self-limiting reactions on Si surfaces

DEFF Research Database (Denmark)

Morgen, Per; Hvam, Jeanette; Bahari, Ali

The direct thermally activated reactions of oxygen and ammonia with Si surfaces in furnaces have been used for a very long time in the semiconductor industry for the growth of thick oxides and nitride layers respectively. The oxidation mechanism was described in the Deal-Grove model as a diffusion...... mechanism for the direct growth of ultrathin films (0-3 nm) of oxides and nitrides under ultrahigh vacuum conditions. Neutral oxygen and a microwave excited nitrogen plasma interact directly with Si surfaces kept at different temperatures during the reaction. The gas pressures are around 10-6 Torr...... energy of an oxide system, which happened for an ordered structure, at a thickness of 0.7-0.8 nm. Thus this thin oxide structure has definite crystalline features. We have closely monitored the reaction kinetics with normal x-ray induced photoelectron spectroscopies, and also the structure, composition...

Energy gains from lattice-enabled nuclear reactions

International Nuclear Information System (INIS)

Nagel, David J.

2015-01-01

The energy gain of a system is defined as the ratio of its output energy divided by the energy provided to operate the system. Most familiar systems have energy gains less than one due to various inefficiencies. By contrast, lattice-enabled nuclear reactions (LENR) offer high energy gains. Theoretical values in excess of 1000 are possible. Energy gains over 100 have already been reported. But, they have not yet been sustained for commercially significant durations. This article summarizes the current status of LENR energy gains. (author)

Applications of the photo-nuclear reaction data for activation analysis

International Nuclear Information System (INIS)

Odsuren, M.; Khuukhenkhuu, G.; Turbold, A.; Davaa, S.; Baatarkhuu, D.

2015-01-01

In the relative method of activation analysis by continuum wide spectrum gamma-rays the same isotope is usually used for standard reference element and sample material in connection with different dependence of the reaction cross sections on the irradiation beam energy. But, in practice suitable isotopes for reference element are not always available. So, in this paper, we suggest a new method for photo-activation analysis in which is used the correction factor. This factor takes into account the difference in the photo-nuclear reaction cross section dependence on the gamma-ray energy for standard reference isotope and sample elements. The correction factor is determined by three methods of experimental, theoretical and TALYS evaluation. Pure metal foils of Au, Cu and Mo were irradiated by bremsstrahlung gamma-rays on the electron cyclic accelerator Microtron MT-22 at the Nuclear Research Center, National University of Mongolia. Gamma spectra of the activated metal foils were measured by HP-Ge detector to obtain element contents in the samples. It was shown that experimental results with correction factors are satisfactorily in agreement with real values of the element contents in the samples

Generalization of the Activated Complex Theory of Reaction Rates. II. Classical Mechanical Treatment

Science.gov (United States)

Marcus, R. A.

1964-01-01

In its usual classical form activated complex theory assumes a particular expression for the kinetic energy of the reacting system -- one associated with a rectilinear motion along the reaction coordinate. The derivation of the rate expression given in the present paper is based on the general kinetic energy expression.

Reaction kinetics, reaction products and compressive strength of ternary activators activated slag designed by Taguchi method

NARCIS (Netherlands)

Yuan, B.; Yu, Q.L.; Brouwers, H.J.H.

2015-01-01

This study investigates the reaction kinetics, the reaction products and the compressive strength of slag activated by ternary activators, namely waterglass, sodium hydroxide and sodium carbonate. Nine mixtures are designed by the Taguchi method considering the factors of sodium carbonate content

Rate Constants and Activation Energies for Gas-Phase Reactions of Three Cyclic Volatile Methyl Siloxanes with the Hydroxyl Radical.

Science.gov (United States)

Safron, Andreas; Strandell, Michael; Kierkegaard, Amelie; Macleod, Matthew

2015-07-01

Reaction with hydroxyl radicals (OH) is the major pathway for removal of cyclic volatile methyl siloxanes (cVMS) from air. We present new measurements of second-order rate constants for reactions of the cVMS octamethylcyclotetrasiloxane (D 4 ), decamethylcyclopentasiloxane (D 5 ), and dodecamethylcyclohexasiloxane (D 6 ) with OH determined at temperatures between 313 and 353 K. Our measurements were made using the method of relative rates with cyclohexane as a reference substance and were conducted in a 140-mL gas-phase reaction chamber with online mass spectrometry analysis. When extrapolated to 298 K, our measured reaction rate constants of D 4 and D 5 with the OH radical are 1.9 × 10 -12 (95% confidence interval (CI): (1.7-2.2) × 10 -12 ) and 2.6 × 10 -12 (CI: (2.3-2.9) × 10 -12 ) cm 3 molecule -1 s -1 , respectively, which are 1.9× and 1.7× faster than previous measurements. Our measured rate constant for D 6 is 2.8 × 10 -12 (CI: (2.5-3.2) × 10 -12 ) cm 3 molecule -1 s -1 and to our knowledge there are no comparable laboratory measurements in the literature. Reaction rates for D 5 were 33% higher than for D 4 (CI: 30-37%), whereas the rates for D 6 were only 8% higher than for D 5 (CI: 5-10%). The activation energies of the reactions of D 4 , D 5 , and D 6 with OH were not statistically different and had a value of 4300 ± 2800 J/mol.

High energy halogen atom reactions activated by nuclear transformations

International Nuclear Information System (INIS)

Rack, E.P.

1990-05-01

This program, which has been supported for twenty-four years by the Us Atomic Energy Commission and its successor agencies, has produced significant advances in the understanding of the mechanisms of chemical activation by nuclear processes; the stereochemistry of radioactivity for solution of specific problems. This program was contributed to the training of approximately seventy scientists at various levels. This final report includes a review of the areas of research and chronological tabulation of the publications

Experimental studies on excitation functions of the proton-induced activation reactions on silver

International Nuclear Information System (INIS)

Uddin, M.S.; Hagiwara, M.; Baba, M.; Tarkanyi, F.; Ditroi, F.

2005-01-01

Excitation functions were measured for the production of 106m,105 Ag, 103,101,100 Pd, 105,102,101m,100,99 Rh and 97 Ru via proton-induced activation reactions on natural silver using a stacked foil technique in the energy range 11-80 MeV. The residual activity measurements were carried out nondestructively by the high-resolution HPGe γ-ray spectroscopy. Thick target integral yields were deduced using the measured cross-sections from the respective threshold energies of the investigated reactions up to 80 MeV. The present work gives new results for the investigated radionuclides. The data in MENDL-2P deduced with the theoretical model code ALICE-IPPE are consistent in shape with the measured values, but show disagreement in magnitude

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)

Verification of dosimetry cross sections above 10 MeV based on measurement of activation reaction rates in fission neutron field

International Nuclear Information System (INIS)

Odano, Naoteru; Miura, Toshimasa; Yamaji, Akio.

1996-01-01

To validate the dosimetry cross sections in fast neutron energy range, activation reaction rates were measured for 5 types of dosimetry cross sections which have sensitivity in the energy rage above 10 MeV utilizing JRR-4 reactor of JAERI. The measured reaction rates were compared with the calculations reaction rates by a continuous energy monte carlo code MVP. The calculated reaction rates were based on two dosimetry files, JENDL Dosimetry File and IRDF-90.2. (author)

Activation energies for iodine-exchange systems containing organic iodine compounds

Energy Technology Data Exchange (ETDEWEB)

Ikeda, N. (Takyo Univ. of Education (Japan). Faculty of Science) Takahashi, Yasuko

1976-01-01

In studies on the nonequilibrium isotopic exchange method for determining iodine in organic iodine compounds, activation energies have been measured to find systems having appropriate rate of exchange reactions. Activation energies are discussed by considering the effect of the structure of organic iodine compounds, the concentrations of reactants and solvent, etc. In homogeneous systems, activation energy is found to become larger in the order of CH/sub 3/Iactivation energy is less in 100% acetone than in 90% acetone solution. In heterogeneous systems, e.g. org. I(aq.)--I/sub 2/(CCL/sub 4/ or C/sub 2/H/sub 4/Cl/sub 2/), activation energy increases in the order of 3,5-diiodotyrosine<3-iodotyrosine<5-iodouracil. The catalytic effect of I/sub 2/ is large, and the iodine ratio between I/sub 2/ and organic iodine is a predominant factor in determining the rate of the exchange reaction.

Halogen atom reactions activated by nuclear transformations. Progress report, February 15, 1975--February 14, 1976

International Nuclear Information System (INIS)

Rack, E.P.

1976-02-01

High energy reactions of halogen atoms or ions, activated by nuclear transformations, are being studied in gaseous, high pressure, and condensed phase saturated and unsaturated hydrocarbons, halomethanes, and other organic systems. Experimental and theoretical data are presented in the following areas: systematics of iodine hot atom reactions in halomethanes, reactions and systematics of iodine reactions with pentene and butene isomers, radiative neutron capture activated reactions of iodine with acetylene, gas to liquid to solid transition in hot atom chemistry, kinetic theory applications of hot atom reactions and the mathematical development of caging reactions, solvent dependence of the stereochemistry of the 38 Cl for Cl substitution following 37 Cl(n,γ) 38 Cl in liquid meso and dl-(CHFCl) 2 . A technique was also developed for the radioassay of Al in urine specimens

Rate Constants and Activation Energies for Gas‐Phase Reactions of Three Cyclic Volatile Methyl Siloxanes with the Hydroxyl Radical

Science.gov (United States)

Safron, Andreas; Strandell, Michael; Kierkegaard, Amelie

2015-01-01

ABSTRACT Reaction with hydroxyl radicals (OH) is the major pathway for removal of cyclic volatile methyl siloxanes (cVMS) from air. We present new measurements of second‐order rate constants for reactions of the cVMS octamethylcyclotetrasiloxane (D4), decamethylcyclopentasiloxane (D5), and dodecamethylcyclohexasiloxane (D6) with OH determined at temperatures between 313 and 353 K. Our measurements were made using the method of relative rates with cyclohexane as a reference substance and were conducted in a 140‐mL gas‐phase reaction chamber with online mass spectrometry analysis. When extrapolated to 298 K, our measured reaction rate constants of D4 and D5 with the OH radical are 1.9 × 10−12 (95% confidence interval (CI): (1.7–2.2) × 10−12) and 2.6 × 10−12 (CI: (2.3–2.9) × 10−12) cm3 molecule−1 s−1, respectively, which are 1.9× and 1.7× faster than previous measurements. Our measured rate constant for D6 is 2.8 × 10−12 (CI: (2.5–3.2) × 10−12) cm3 molecule−1 s−1 and to our knowledge there are no comparable laboratory measurements in the literature. Reaction rates for D5 were 33% higher than for D4 (CI: 30–37%), whereas the rates for D6 were only 8% higher than for D5 (CI: 5–10%). The activation energies of the reactions of D4, D5, and D6 with OH were not statistically different and had a value of 4300 ± 2800 J/mol. PMID:27708500

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 few aspects of intermediate energy heavy ion reactions

International Nuclear Information System (INIS)

Guet, C.

1982-10-01

Some aspects of reactions induced by intermediate energy heavy ions, with a special emphasis of 85 MeV/nucleon 12 C data, are discussed and compared to low energy and relativistic energy features. Transition from mean field to independant nucleon picture is advocated by an increase of nuclear transparency illuminated by reaction cross section estimations. Projectile-like fragment distributions, while demonstrating a typical high energy fragmentation behaviour, exhibit low energy regime distortions. Light fragments, associated to large parallel momentum transfer may result from total explosion. Proton emission is investigated and discussed in terms of opposite models such as thermal equilibrium and nucleon-nucleon scattering. First pion production data are well explained by single nucleon-nucleon inelastic scattering

Enhancing Activity for the Oxygen Evolution Reaction

DEFF Research Database (Denmark)

Frydendal, Rasmus; Busch, Michael; Halck, Niels Bendtsen

2014-01-01

Electrochemical production of hydrogen, facilitated in electrolyzers, holds great promise for energy storage and solar fuel production. A bottleneck in the process is the catalysis of the oxygen evolution reaction, involving the transfer of four electrons. The challenge is that the binding energies...... of all reaction intermediates cannot be optimized individually. However, experimental investigations have shown that drastic improvements can be realized for manganese and cobalt-based oxides if gold is added to the surface or used as substrate. We propose an explanation for these enhancements based...... that the oxygen evolution reaction overpotential decreases by 100–300 mV for manganese oxides and 100 mV for cobalt oxides....

Development of linear free energy relationships for aqueous phase radical-involved chemical reactions.

Science.gov (United States)

Minakata, Daisuke; Mezyk, Stephen P; Jones, Jace W; Daws, Brittany R; Crittenden, John C

2014-12-02

Aqueous phase advanced oxidation processes (AOPs) produce hydroxyl radicals (HO•) which can completely oxidize electron rich organic compounds. The proper design and operation of AOPs require that we predict the formation and fate of the byproducts and their associated toxicity. Accordingly, there is a need to develop a first-principles kinetic model that can predict the dominant reaction pathways that potentially produce toxic byproducts. We have published some of our efforts on predicting the elementary reaction pathways and the HO• rate constants. Here we develop linear free energy relationships (LFERs) that predict the rate constants for aqueous phase radical reactions. The LFERs relate experimentally obtained kinetic rate constants to quantum mechanically calculated aqueous phase free energies of activation. The LFERs have been applied to 101 reactions, including (1) HO• addition to 15 aromatic compounds; (2) addition of molecular oxygen to 65 carbon-centered aliphatic and cyclohexadienyl radicals; (3) disproportionation of 10 peroxyl radicals, and (4) unimolecular decay of nine peroxyl radicals. The LFERs correlations predict the rate constants within a factor of 2 from the experimental values for HO• reactions and molecular oxygen addition, and a factor of 5 for peroxyl radical reactions. The LFERs and the elementary reaction pathways will enable us to predict the formation and initial fate of the byproducts in AOPs. Furthermore, our methodology can be applied to other environmental processes in which aqueous phase radical-involved reactions occur.

Reaction path analysis of sodium-water reaction phenomena in support of chemical reaction model development

International Nuclear Information System (INIS)

Kikuchi, Shin; Ohshima, Hiroyuki; Hashimoto, Kenro

2011-01-01

Computational study of the sodium-water reaction at the gas (water) - liquid (sodium) interface has been carried out using ab initio (first-principle) method. A possible reaction channel has been identified for the stepwise OH bond dissociations of a single water molecule. The energetics including the binding energy of a water molecule to the sodium surface, the activation energies of the bond cleavages, and the reaction energies, have been evaluated, and the rate constants of the first and second OH bond-breakings have been compared. The results are used as the basis for constructing the chemical reaction model used in a multi-dimensional sodium-water reaction code, SERAPHIM, being developed by JAEA toward the safety assessment of the steam generator (SG) in a sodium-cooled fast reactor (SFR). (author)

The (γ, p) reaction in 30Si, 68Zn and 130Te at intermediate energies

International Nuclear Information System (INIS)

Bulow, B.; Johnsson, B.; Nilsson, M.

1977-01-01

The yields of (γ, p) reactions on 30 Si, 68 Zn and 130 Te have been measured as a function of the bremsstrahlung end-point energy, Esub(γ, max), in the energy range 75-800 MeV, using the activation method. Cross sections have been deduced and are compared to results obtained using a semiempirical model. (Auth.)

Direct Energy Supply to the Reaction Mixture during Microwave-Assisted Hydrothermal and Combustion Synthesis of Inorganic Materials

Directory of Open Access Journals (Sweden)

Roberto Rosa

2014-05-01

Full Text Available The use of microwaves to perform inorganic synthesis allows the direct transfer of electromagnetic energy inside the reaction mixture, independently of the temperature manifested therein. The conversion of microwave (MW radiation into heat is useful in overcoming the activation energy barriers associated with chemical transformations, but the use of microwaves can be further extended to higher temperatures, thus creating unusual high-energy environments. In devising synthetic methodologies to engineered nanomaterials, hydrothermal synthesis and solution combustion synthesis can be used as reference systems to illustrate effects related to microwave irradiation. In the first case, energy is transferred to the entire reaction volume, causing a homogeneous temperature rise within a closed vessel in a few minutes, hence assuring uniform crystal growth at the nanometer scale. In the second case, strong exothermic combustion syntheses can benefit from the application of microwaves to convey energy to the reaction not only during the ignition step, but also while it is occurring and even after its completion. In both approaches, however, the direct interaction of microwaves with the reaction mixture can lead to practically gradient-less heating profiles, on the basis of which the main observed characteristics and properties of the aforementioned reactions and products can be explained.

Nucleon charge-exchange reactions at intermediate energy

Energy Technology Data Exchange (ETDEWEB)

Alford, W.P. [Western Ontario Univ., London, ON (Canada). Dept. of Physics]|[TRIUMF, Vancouver, BC (Canada); Spicer, B.M. [Melbourne Univ., Parkville, VIC (Australia). School of Physics

1997-12-31

An historical review of the development of ideas pertaining to Gamow-Teller giant resonances is given, and a description of the emergence of techniques for the study of charge exchange reactions - particularly the technical advances which yielded the recent volume of new date. The present status of charge exchange reactions is reviewed and assessed. Evidence is presented from the {sup 14}C(p,n) reaction for the dominance of the spin-isospin component of the nucleon-nucleon interaction in intermediate energy reactions. In (p,n) reactions the Gamow-Teller giant resonance dominates the spectra, with higher multipoles contributing. By contrast, in (n,p) reactions in the heavier nuclei, the Gamow-Teller transitions are substantially Pauli-blocked and the spin dipole resonance dominates, with contributions from higher multipoles. Discussions of the multipole decomposition process, used to obtain from the data the contributions of the different multipoles, and the contributions of the multipoles, are given. 226 refs., 19 figs.

Nucleon charge-exchange reactions at intermediate energy

International Nuclear Information System (INIS)

Alford, W.P.; Spicer, B.M.

1997-01-01

An historical review of the development of ideas pertaining to Gamow-Teller giant resonances is given, and a description of the emergence of techniques for the study of charge exchange reactions - particularly the technical advances which yielded the recent volume of new date. The present status of charge exchange reactions is reviewed and assessed. Evidence is presented from the 14 C(p,n) reaction for the dominance of the spin-isospin component of the nucleon-nucleon interaction in intermediate energy reactions. In (p,n) reactions the Gamow-Teller giant resonance dominates the spectra, with higher multipoles contributing. By contrast, in (n,p) reactions in the heavier nuclei, the Gamow-Teller transitions are substantially Pauli-blocked and the spin dipole resonance dominates, with contributions from higher multipoles. Discussions of the multipole decomposition process, used to obtain from the data the contributions of the different multipoles, and the contributions of the multipoles, are given

Low Energy Nuclear Reactions?

CERN Multimedia

CERN. Geneva; Faccini, R.

2014-01-01

After an introduction to the controversial problem of Low Energy Nuclear Reactions (LENR) catalyzed by neutrons on metallic hydride surfaces we present the results of an experiment, made in collaboration with ENEA Labs in Frascati, to search neutrons from plasma discharges in electrolytic cells. The negative outcome of our experiment goes in the direction of ruling out those theoretical models expecting LENR to occur in condensed matter systems under specific conditions. Our criticism on the theoretical foundations of such models will also be presented.

Electronic dissipation processes during chemical reactions on surfaces

CERN Document Server

Stella, Kevin

2012-01-01

Hauptbeschreibung Every day in our life is larded with a huge number of chemical reactions on surfaces. Some reactions occur immediately, for others an activation energy has to be supplied. Thus it happens that though a reaction should thermodynamically run off, it is kinetically hindered. Meaning the partners react only to the thermodynamically more stable product state within a mentionable time if the activation energy of the reaction is supplied. With the help of catalysts the activation energy of a reaction can be lowered. Such catalytic processes on surfaces are widely used in industry. A

Study of energy deposition in heavy-ion reactions

International Nuclear Information System (INIS)

Mota, V. De La; Abgrall, P.; Sebille, F.; Haddad, F.

1993-01-01

An investigation of energy deposition mechanisms in heavy-ion reactions at intermediate energies is presented. Theoretical simulations are performed in the framework of the semi-classical Landau-Vlasov model. They emphasize the influence of the initial non-equilibrium conditions, and the connection with the incident energy is discussed. Characteristic times involved in the energy thermalization process and finite size effects are analyzed. (authors) 20 refs., 4 figs

Intermediate Energy Activation File (IEAF-99)

International Nuclear Information System (INIS)

Korovin, Yu.; Konobeev, A.; Pereslavtsev, P.; Stankovskij, A.; Fischer, U.; Moellendorff, U. von

1999-01-01

Nuclear data library IEAF-99, elaborated to study processes of interactions of intermediate energy neutrons with materials in accelerator driven systems, is described. The library is intended for activation and transmutation studies for materials irradiated by neutrons. IEAF-99 contains evaluated neutron induced reaction cross sections at the energies 0-150 MeV for 665 stable and unstable nuclei from C to Po. Approximately 50,000 excitation functions are included in the library. The IEAF-99 data are written in the ENDF-6 format combining MF = 3,6 MT = 5 data recording. (author)

Novel Role of Superfluidity in Low-Energy Nuclear Reactions.

Science.gov (United States)

Magierski, Piotr; Sekizawa, Kazuyuki; Wlazłowski, Gabriel

2017-07-28

We demonstrate, within symmetry unrestricted time-dependent density functional theory, the existence of new effects in low-energy nuclear reactions which originate from superfluidity. The dynamics of the pairing field induces solitonic excitations in the colliding nuclear systems, leading to qualitative changes in the reaction dynamics. The solitonic excitation prevents collective energy dissipation and effectively suppresses the fusion cross section. We demonstrate how the variations of the total kinetic energy of the fragments can be traced back to the energy stored in the superfluid junction of colliding nuclei. Both contact time and scattering angle in noncentral collisions are significantly affected. The modification of the fusion cross section and possibilities for its experimental detection are discussed.

Computing the Free Energy along a Reaction Coordinate Using Rigid Body Dynamics.

Science.gov (United States)

Tao, Peng; Sodt, Alexander J; Shao, Yihan; König, Gerhard; Brooks, Bernard R

2014-10-14

The calculations of potential of mean force along complex chemical reactions or rare events pathways are of great interest because of their importance for many areas in chemistry, molecular biology, and material science. The major difficulty for free energy calculations comes from the great computational cost for adequate sampling of the system in high-energy regions, especially close to the reaction transition state. Here, we present a method, called FEG-RBD, in which the free energy gradients were obtained from rigid body dynamics simulations. Then the free energy gradients were integrated along a reference reaction pathway to calculate free energy profiles. In a given system, the reaction coordinates defining a subset of atoms (e.g., a solute, or the quantum mechanics (QM) region of a quantum mechanics/molecular mechanics simulation) are selected to form a rigid body during the simulation. The first-order derivatives (gradients) of the free energy with respect to the reaction coordinates are obtained through the integration of constraint forces within the rigid body. Each structure along the reference reaction path is separately subjected to such a rigid body simulation. The individual free energy gradients are integrated along the reference pathway to obtain the free energy profile. Test cases provided demonstrate both the strengths and weaknesses of the FEG-RBD method. The most significant benefit of this method comes from the fast convergence rate of the free energy gradient using rigid-body constraints instead of restraints. A correction to the free energy due to approximate relaxation of the rigid-body constraint is estimated and discussed. A comparison with umbrella sampling using a simple test case revealed the improved sampling efficiency of FEG-RBD by a factor of 4 on average. The enhanced efficiency makes this method effective for calculating the free energy of complex chemical reactions when the reaction coordinate can be unambiguously defined by a

Breakup reactions at intermediate and high energy

International Nuclear Information System (INIS)

Shotter, A.C.; Bice, A.N.

1981-01-01

Having considered some general aspects of peripheral break-up reactions involving heavy ions for the incident energy range 10-2000 MeV/A, specific experiments carried out at Berkeley in 1980 in the energy range 10-20 MeV/A are discussed. These indicate that sequential break-up processes from non-sequential inelastic processes both play significant roles in the mechanism. (UK)

Emission of high-energy, light particles from intermediate-energy heavy-ion reactions

International Nuclear Information System (INIS)

Ball, J.B.; Auble, R.L.

1982-01-01

One of the early surprises in examining reaction products from heavy ion reactions at 10 MeV/nucleon and above was the large yield of light particles emitted and the high energies to which the spectra of these particles extended. The interpretation of the origin of the high energy light ions has evolved from a picture of projectile excitation and subsequent evaporation to one of pre-equilibrium (or nonequilibrium) emission. The time scale for particle emission has thus moved from one that occurs following the initial collision to one that occurs at the very early stages of the collision. Research at ORNL on this phenomenon is reviewed

Measurement of activation reaction rate distribution on a mercury target with a lead-reflector and light-water-moderator for high energy proton bombardment using AGS accelerator

International Nuclear Information System (INIS)

Kasugai, Yoshimi; Takada, Hiroshi; Meigo, Shin-ichiro

2001-02-01

Characteristic of spallation neutrons driven by GeV protons from a mercury target with a lead-reflector and light-water-moderator was studied experimentally using the Alternating Gradient Synchrotron (AGS) facility of Brookhaven National Laboratory in a framework of the ASTE (AGS Spallation Target Experiment) collaboration. Several reaction rates along with the mercury target were measured with the activation method at incident proton energies of 1.94, 12 and 24 GeV. Indium, niobium, aluminum, cobalt, nickel and bismuth were used as activation detectors to cover the threshold energy of between 0.33 and 40.9 MeV. This report summarizes the experimental procedure with all the measured data. (author)

Nucleon charge exchange reaction and antiproton elastic scattering at intermediate energies

International Nuclear Information System (INIS)

Kronenfeld, J.

1985-02-01

This work treats the medium energy nuclear (p,n) charge exchange reaction to analog states and the low energy elastic scattering of antiprotons and investigates the central aspects of a microscopic theory based on multiple-scattering series which are pertinent to these reactions. A two-step term of the Distorted Wave Impulse Approximation (DWIA) in treating the (p,n) reaction, was included. For the very absorptive p-bar interaction with nuclei we conjecture that a partial infinite summation, constituing a renormalization of the single scattering term of the optical potential series provides the dominant feature of this interaction. In this work the excitation of analog states is calculated and it was found that the (p,n) reaction is described fairly well by the DWIA. In the first part of the work the (p,n) reaction in the energy range 100-200 MeV was treated. The DWIA calculations were based on eikonalization. In the second part of the work the p-barA interaction with the selfconsistent scheme mentioned above, for scattering energies 30-120 MeV, was examined. (author)

Mixed quantum-classical studies of energy partitioning in unimolecular chemical reactions

Science.gov (United States)

Bladow, Landon Lowell

A mixed quantum-classical reaction path Hamiltonian method is utilized to study the dynamics of unimolecular reactions. The method treats motion along the reaction path classically and treats the transverse vibrations quantum mechanically. The theory leads to equations that predict the disposai of the exit-channel potential energy to product translation and vibration. In addition, vibrational state distributions are obtained for the product normal modes. Vibrational excitation results from the curvature of the minimum energy reaction path. The method is applied to six unimolecular reactions: HF elimination from fluoroethane, 1,1-difluoroethane, 1,1-difluoroethene, and trifluoromethane; and HCl elimination from chloroethane and acetyl chloride. The minimum energy paths were calculated at either the MP2 or B3LYP level of theory. In all cases, the majority of the vibrational excitation of the products occurs in the HX fragment. The results are compared to experimental data and other theoretical results, where available. The best agreement between the experimental and calculated HX vibrational distributions is found for the halogenated ethanes, and the experimental deduction that the majority of the HX vibrational excitation arises from the potential energy release is supported. It is believed that the excess energy provided in experiments contributes to the poorer agreement between experiment and theory observed for HF elimination from 1,1-difluoroethene and trifluoromethane. An attempt is described to incorporate a treatment of the excess energy into the present method. However, the sign of the curvature coupling elements is then found to affect the dynamics. Overall, the method appears to be an efficient dynamical tool for modeling the disposal of the exit-channel potential energy in unimolecular reactions.

Improved Reaction and Activation Energies of [4+2] Cycloadditions, [3+3] Sigmatropic Rearrangements and Electrocyclizations with the Spin-Component-Scaled MP2 Method

NARCIS (Netherlands)

Goumans, T.P.M.; Ehlers, A.W.; Lammertsma, K.; Wuerthwein, E.-U.; Grimme, S.

2004-01-01

A new quantum mechanical scheme to calculate electronic correlation energies, spin-component-scaled MP2, was tested as a tool to predict reaction energies and barriers in computational organic chemistry. Three common pericyclic reactions with known unsatisfactory MP2 descriptions were reinvestigated

32S-induced reactions at 10 MeV/u bombarding energy

International Nuclear Information System (INIS)

Betz, J.; Graef, H.; Novotny, R.; Pelte, D.; Winkler, U.

1983-01-01

The deep-inelastic processes of the reactions 32 S+ 28 Si, sup(nat)S, 40 Ca, 58 Ni, 74 Ge are studied at 10 MeV/u bombarding energy employing a kinematical coincidence spectrometer. From the measured energies, momenta, masses and atomic numbers of two heavy fragments the corresponding parameters for the unobserved reaction products and the reaction Q-values are deduced. It is found that the reactions generally show the pattern of a normal deep-inelastic process which is followed by the evaporation of several light particles. But with much less intensities other processes also seem to occur: three-fragment excit channels and incomplete energy damping which is correlated with the emission of a few light particles of high momenta. (orig.)

Resonant Electromagnetic Interaction in Low Energy Nuclear Reactions

Science.gov (United States)

Chubb, Scott

2008-03-01

Basic ideas about how resonant electromagnetic interaction (EMI) can take place in finite solids are reviewed. These ideas not only provide a basis for conventional, electron energy band theory (which explains charge and heat transport in solids), but they also explain how through finite size effects, it is possible to create many of the kinds of effects envisioned by Giuliano Preparata. The underlying formalism predicts that the orientation of the external fields in the SPAWAR protocolootnotetextKrivit, Steven B., New Energy Times, 2007, issue 21, item 10. http://newenergytimes.com/news/2007/NET21.htm^,ootnotetextSzpak, S.; Mosier-Boss, P.A.; Gordon, F.E. Further evidence of nuclear reactions in the Pd lattice: emission of charged particles. Naturwissenschaften 94,511(2007)..has direct bearing on the emission of high-energy particles. Resonant EMI also implies that nano-scale solids, of a particular size, provide an optimal environment for initiating Low Energy Nuclear Reactions (LENR) in the PdD system.

Improving the electrocatalytic performance of carbon nanotubes for VO"2"+/VO_2"+ redox reaction by KOH activation

International Nuclear Information System (INIS)

Dai, Lei; Jiang, Yingqiao; Meng, Wei; Zhou, Huizhu; Wang, Ling; He, Zhangxing

2017-01-01

Highlights: • KOH-activated carbon nanotubes (CNTs) was investigated as superior catalyst for VO"2"+/VO_2"+ redox reaction for vanadium redox flow battery (VRFB) for the first time. • KOH activation for CNTs can result in the chemical etching of surface and improved wettability, accelerating the mass transfer of vanadium ions. • KOH activation can introduce many oxygen-containing groups as active sites on the surface of CNTs. • KOH-activated CNTs as positive catalyst could increase the comprehensive energy storage performance of VRFB. - Abstract: In this paper, carbon nanotubes (CNTs) was activated by KOH treatment at high temperature and investigated as catalyst for VO"2"+/VO_2"+ redox reaction for vanadium redox flow battery (VRFB). X-ray photoelectron spectroscopy results suggest that the oxygen-containing groups can be introduced on CNTs by KOH activation. The mass transfer of vanadium ions can be accelerated by chemical etching by KOH activation and improved wettability due to the introduction of hydrophilic groups. The electrochemical properties of VO"2"+/VO_2"+ redox reaction can be enhanced by introduced oxygen-containing groups as active sites. The sample treated at 900 °C with KOH/CNTs mass ratio of 3:1 (CNTs-3) exhibits the highest electrocatalytic activity for VO"2"+/VO_2"+ redox reaction. The cell using CNTs-3 as positive catalyst demonstrates the smallest electrochemical polarization, the highest capacity and efficiency among the samples. Using KOH-activated CNTs-3 can increase the average energy efficiency of the cell by 4.4%. This work suggests that KOH-activated CNTs is a low-cost, efficient and promising catalyst for VO"2"+/VO_2"+ redox reaction for VRFB system.

Light energy conversion by photocatalytic reaction

Energy Technology Data Exchange (ETDEWEB)

Fujishima, Akira; Yamagata, Sadamu [Univ. of Tokyo (Japan)

1989-01-01

The photocatalytic reaction, to be made to a suspended semiconductor powder system, was explained in summary. By using semiconductor as an electrode for the electrolyzation, etc. and projecting light on it to generate photoelectromotive force, a photocell can be composed. eg., by composing titanium oxide electrode, n-type semiconductor and platinum electrode, and irradiating light on the former electrode to generate electric current, oxygen and hydrogen are produced from the titanium oxide electrode and platinum electrode, respectively, which means the possibility of obtainment of clean energy from water as raw material. Such a wet type photocell, easy to produce, is active also in research. With white titanium oxide powder being suspended in water solution, hydrogen is produced by projecting light into it. Such a semiconductor is called photocatalyst, in which the research has been widely developed, mainly by taking notice of the hydrogen production on reduction side, since 1972. The photocatalysis using colloid and, differently, that doing heteropolyacid are also taken notice of. 24 refs., 6 figs.

Activation cross section and isomeric cross section ratios for the (n ,2 n ) reaction on 153Eu

Science.gov (United States)

Luo, Junhua; Jiang, Li; Li, Suyuan

2017-10-01

The 153Eu(n ,2 n ) m1,m2,g152Eu cross section was measured by means of the activation technique at three neutron energies in the range 13-15 MeV. The quasimonoenergetic neutron beam was formed via the 3H(d ,n ) 4He reaction, in the Pd-300 Neutron Generator at the Chinese Academy of Engineering Physics (CAEP). The activities induced in the reaction products were measured using high-resolution γ-ray spectroscopy. The cross section of the population of the second high-spin (8-) isomeric state was measured along with the reaction cross section populating both the ground (3-) and the first isomeric state (0-). Cross sections were also evaluated theoretically using the numerical code TALYS-1.8, with different level density options at neutron energies varying from the reaction threshold to 20 MeV. Results are discussed and compared with the corresponding literature.

Recent research on nuclear reaction using high-energy proton and neutron

Energy Technology Data Exchange (ETDEWEB)

Shibata, Tokushi [Tokyo Univ., Tanashi (Japan). Inst. for Nuclear Study

1997-11-01

The presently available high-energy neutron beam facilities are introduced. Then some interesting research on nuclear reaction using high-energy protons are reported such as the intermediate mass fragments emission and neutron spectrum measurements on various targets. As the important research using high-energy neutron, the (p,n) reactions on Mn, Fe, and Ni, the elastic scattering of neutrons, and the shielding experiments are discussed. (author)

Bibliographic survey of medium energy inclusive reaction data

International Nuclear Information System (INIS)

Arthur, E.D.; Madland, D.G.; McClellan, D.M.

1986-04-01

A bibliographic survey of inclusive reaction data (experimental and theoretical) for several projectile types having energies between 50 and 1000 MeV has been completed. Approximately one thousand references selected from this survey describe the current state of knowledge for particle-induced inclusive reaction data. The search covered data for the following projectiles: p, d, t, 3 He, 4 He, and lithium ions

A thermal extrapolation method for the effective temperatures and internal energies of activated ions

Science.gov (United States)

Meot-Ner (Mautner), Michael; Somogyi, Árpád

2007-11-01

The internal energies of dissociating ions, activated chemically or collisionally, can be estimated using the kinetics of thermal dissociation. The thermal Arrhenius parameters can be combined with the observed dissociation rate of the activated ions using kdiss = Athermalexp(-Ea,thermal/RTeff). This Arrhenius-type relation yields the effective temperature, Teff, at which the ions would dissociate thermally at the same rate, or yield the same product distributions, as the activated ions. In turn, Teff is used to calculate the internal energy of the ions and the energy deposited by the activation process. The method yields an energy deposition efficiency of 10% for a chemical ionization proton transfer reaction and 8-26% for the surface collisions of various peptide ions. Internal energies of ions activated by chemical ionization or by gas phase collisions, and of ions produced by desorption methods such as fast atom bombardment, can be also evaluated. Thermal extrapolation is especially useful for ion-molecule reaction products and for biological ions, where other methods to evaluate internal energies are laborious or unavailable.

(p,n) reaction at intermediate energy

International Nuclear Information System (INIS)

Goodman, C.D.

1979-01-01

The use of the (p,n) reaction in exploring effective interactions is reviewed. Some recent data on self-conjugate nuclei taken at the Indiana University Cyclotron Facility (IUCF) are presented, and the differences between low- and high-energy data are emphasized. Experimental problems and techniques used are briefly described. It is concluded that forward-angle (p,n) spectra at energies greater than 100 MeV are dominated by Gamow-Teller (GT) transitions, while Fermi transitions (IAS transitions) dominate near 45 MeV. Prominent GT transitions are expected from a pion-exchange interaction, and it is expected that OPEP is the dominant component of the interaction in the energy range of 100 to 200 MeV. 27 figures, 2 tables

Two-particle one-hole multiple-scattering contribution to 17O energies using an energy-dependent reaction matrix

International Nuclear Information System (INIS)

Bando, H.; Krenciglowa, E.M.

1976-01-01

The role of 2p1h correlations in 17 O is studied within a multiple-scattering formalism. An accurate, energy-dependent reaction matrix with orthogonalized plane-wave intermediate states is used to assess the relative importance of particle-particle and particle-hole correlations in the 17 O energies. The effect of energy dependence of the reaction matrix is closely examined. (Auth.)

Overview of Light Hydrogen-Based Low Energy Nuclear Reactions

Science.gov (United States)

Miley, George H.; Shrestha, Prajakti J.

This paper reviews light water and hydrogen-based low-energy nuclear reactions (LENRs) including the different methodologies used to study these reactions and the results obtained. Reports of excess heat production, transmutation reactions, and nuclear radiation emission are cited. An aim of this review is to present a summary of the present status of light water LENR research and provide some insight into where this research is heading.

The nuclear structure and low-energy reactions (NSLER) collaboration

International Nuclear Information System (INIS)

Dean, D J

2006-01-01

The long-term vision of the Nuclear Structure and Low-Energy Reactions (NSLER) collaboration is to arrive at a comprehensive and unified description of nuclei and their reactions that is grounded in the interactions between the constituent nucleons. For this purpose, we will develop a universal energy density functional for nuclei and replace current phenomenological models of nuclear structure and reactions with a well-founded microscopic theory that will deliver maximum predictive power with minimal uncertainties that are well quantified. Nuclear structure and reactions play an essential role in the science to be investigated at rare isotope facilities, and in nuclear physics applications to the Science-Based Stockpile Stewardship Program, next-generation reactors, and threat reduction. We anticipate an expansion of the computational techniques and methods we currently employ, and developments of new treatments, to take advantage of petascale architectures and demonstrate the capability of the leadership class machines to deliver new science heretofore impossible

Neutron-proton bremsstrahlung from intermediate energy heavy-ion reactions as a probe of the nuclear symmetry energy?

International Nuclear Information System (INIS)

Yong, G.-C.; Li Baoan; Chen Liewen

2008-01-01

Hard photons from neutron-proton bremsstrahlung in intermediate energy heavy-ion reactions are examined as a potential probe of the nuclear symmetry energy within a transport model. Effects of the symmetry energy on the yields and spectra of hard photons are found to be generally smaller than those due to the currently existing uncertainties of both the in-medium nucleon-nucleon cross sections and the photon production probability in the elementary process pn→pnγ. Very interestingly, nevertheless, the ratio of hard photon spectra R 1/2 (γ) from two reactions using isotopes of the same element is not only approximately independent of these uncertainties but also quite sensitive to the symmetry energy. For the head-on reactions of 132 Sn + 124 Sn and 112 Sn + 112 Sn at E beam /A=50 MeV, for example, the R 1/2 (γ) displays a rise up to 15% when the symmetry energy is reduced by about 20% at ρ=1.3ρ 0 which is the maximum density reached in these reactions

New Insight into the Hydrogen Evolution Reaction under Buffered Near-Neutral pH Conditions: Enthalpy and Entropy of Activation

KAUST Repository

Shinagawa, Tatsuya

2016-10-06

Electrochemical conversion of thermodynamically stable chemicals of water and carbon dioxide is regarded as a core technology for achieving sustainability in our society. In both cases, the electrochemical hydrogen evolution reaction (HER) is a key reaction, particularly at near-neutral pH. This study addresses the kinetic aspects of the HER in buffered near-neutral pH conditions using a variety of electrode materials (W, Ni, Pt, Au, and Cu) over a wide temperature range (299–346 K). When the overall performance was summarized with respect to the binding energy of the reaction intermediate species, a classic volcano-shaped relationship was obtained. Interestingly, the temperature sensitivity analysis disclosed that smaller activation energies did not always lead to higher performance in 1.5 mol L–1 K-phosphate solution (pH 5.8). Detailed analysis of the temperature- and potential-dependent parameters revealed that smaller activation energies coincided with smaller values of the pre-exponential factor in the Arrhenius’ equation (associated with the entropy of activation). Due to the trade-off relationship of enthalpy–entropy compensation in the current system, the conventional approach of mixing elements of lower and higher binding energies to the intermediate species failed: even though Ni–Cu showed lower apparent activation energy, its activity toward the HER was between that of Ni and Cu due to the lowered entropy of activation. This study demonstrates the unrevealed fundamental aspects of the HER in buffered near-neutral condition, which contributes to the rational development of efficient energy and material conversion systems.

Computed Potential Energy Surfaces and Minimum Energy Pathway 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 observables 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 with the Dunning correlation consistent basis sets to obtain accurate energetics, gives useful results for a number of chemically important systems. Applications to complex reactions leading to NO and soot formation in hydrocarbon combustion are discussed.

Drift-tube studies of ion-molecule reactions at low collision energies

International Nuclear Information System (INIS)

Chatterjee, B.K.

1988-01-01

This thesis presents experimental studies of ion-molecule reactions at low collision energies using two drift tube mass spectrometer apparatus. The reactions studied are (i) proton transfer from HeH + to ArH + , (ii) charge and ion transfer reactions of O 2 2+ with NO, CO 2 , Ne and O 2 + ( 4 π u ) with CO 2 , (iii) oxidation reactions of Zr + and ZrO + with NO, CO 2 and O 2 , (iv) vibrational quenching reactions of H 3 + with He, (v) termolecular clustering reactions of H 2 CN + and H 2 CN + (HCN) (with He as the third body), (vi) three body association reactions of H + and D + with He (with He as the third body) and (vii) termolecular association reaction of NO + with NO (with Ne as third body). All the reactions were studied at thermal energies (at room temperature), reactions of O 2 2+ with NO and CO 2 , Zr + with NO/CO 2 /O 2 were also studied at center-of-mass energies higher than thermal and the association reactions of H 2 CN + /H 2 CN + (HCN) with HCN and H + /D + with He were studied at low temperatures. In addition, the thesis presents model calculations for the sweep-out effect which is an instrumental effect. A super Langevin rate constant is introduced which is a higher-order correction to the Langevin model. A theoretical model for the three-body ion-atom association rate constant is presented in the appendix of the thesis

Nuclear phenomena in low-energy nuclear reaction research.

Science.gov (United States)

Krivit, Steven B

2013-09-01

This is a comment on Storms E (2010) Status of Cold Fusion, Naturwissenschaften 97:861-881. This comment provides the following remarks to other nuclear phenomena observed in low-energy nuclear reactions aside from helium-4 make significant contributions to the overall energy balance; and normal hydrogen, not just heavy hydrogen, produces excess heat.

Low energy ion-molecule reactions

International Nuclear Information System (INIS)

Farrar, J.M.

1986-01-01

The authors work during the past year has focused on several problems in the condensation reactions of C + and CH 3 + with small molecules, particularly hydrocarbons. Their emphasis has been on understanding the dynamics of collision complex formation and isomerization of transient intermediates along the reaction coordinate. In many ionic reactions, intermediates having non-classical valence structures may be nearly as stable as their classical analogs, in contrast with neutral systems where the non-classical structures are much less stable. The C + + NH 3 system shows this behavior, indicating that the non-classical HCNH 2 + structure formed by insertion of C + into the N-H bond serves as a precursor to the products. N-H bond cleavage in this intermediate to form HCNH + occurs over a large barrier and occurs more readily than the 1,2 hydrogen atom shift to form the classical H 2 C = NH + intermediate. Their experimental kinetic energy distribution for this channel is consistent with the presence of a large exit channel barrier. Their recently published work on C + + H 2 O also demonstrates this phenomenon. The CHOH + hydroxycarbene cation serves as the initial intermediate and isomerization to the classical H 2 CO + cation is competitive with O-H or C-H cleavage to yield the formyl, HCO + , or isoformyl, COH + , cations. They have also completed studies on the reactions of C + with O 2 , CH 3 OH, HCN, and the two-carbon containing hydrocarbons ethane, ethylene, and acetylene

Low energy nuclear reactions: 2007 update

International Nuclear Information System (INIS)

Krivit, S. B.

2007-01-01

Introduction: This paper presents an overview of the field of low energy nuclear reactions (LENR), a branch of condensed matter nuclear science. It explains some of the various terminologies that have been used to describe this field since it debuted as 'cold fusion' in 1989. The paper also reviews some of the most interesting news and developments regarding low energy nuclear reaction experiments and theory, and some of the sociological and political trends that have affected the field over the last 18 years. It concludes with a list of resources and information for scientists, journalists and decision makers. Understanding the Nature of the Reactions The worldwide LENR research effort includes 200 researchers in 13 nations. Over the last 18 years, 12 international conferences have been held, as well as 7 regional conferences in Italy, 14 in Russia and 7 in Japan. The significant questions that face this field of research are: a) Are LENRs a genuine nuclear reaction? b) If so, is there a release of excess energy? and c) Are transmutations possible? If the answers to these questions turn out to be positive, the next questions will be: d) Is the energy release cost-effective? and e) Are the transmutations useful? Despite the fact that repeatability and reproducibility are challenging, the required parameters for achieving the excess heat effect are well understood. First, a high atomic loading ratio of D into Pd is required. In most conditions, 0.90 is the minimum threshold required to produce an excess heat effect. Second, a high electrical current density in the cathode is needed, 250 mA/cm 2 under most conditions. The third requirement is for some kind of dynamic trigger to impose a deuterium flux in, on or around the cathode. The challenge that researchers face is how to achieve these conditions. Some of the Most Interesting Research Developments Work by Stanislaw Szpak, Pamela Boss and Frank Gordon at the U.S. Navy's SPAWAR Systems Center in San Diego has

Site Energies of Active and Inactive Pheophytins in the Reaction Center of Photosystem II from Chlamydomonas Reinhardtii

Energy Technology Data Exchange (ETDEWEB)

Acharya, K.; Neupane, B.; Zazubovich, V.; Sayre, R. T.; Picorel, R.; Seibert, M.; Jankowiak, R.

2012-03-29

It is widely accepted that the primary electron acceptor in various Photosystem II (PSII) reaction center (RC) preparations is pheophytin {alpha} (Pheo {alpha}) within the D1 protein (Pheo{sub D1}), while Pheo{sub D2} (within the D2 protein) is photochemically inactive. The Pheo site energies, however, have remained elusive, due to inherent spectral congestion. While most researchers over the past two decades placed the Q{sub y}-states of Pheo{sub D1} and Pheo{sub D2} bands near 678-684 and 668-672 nm, respectively, recent modeling [Raszewski et al. Biophys. J. 2005, 88, 986-998; Cox et al. J. Phys. Chem. B 2009, 113, 12364-12374] of the electronic structure of the PSII RC reversed the assignment of the active and inactive Pheos, suggesting that the mean site energy of Pheo{sub D1} is near 672 nm, whereas Pheo{sub D2} ({approx}677.5 nm) and Chl{sub D1} ({approx}680 nm) have the lowest energies (i.e., the Pheo{sub D2}-dominated exciton is the lowest excited state). In contrast, chemical pigment exchange experiments on isolated RCs suggested that both pheophytins have their Q{sub y} absorption maxima at 676-680 nm [Germano et al. Biochemistry 2001, 40, 11472-11482; Germano et al. Biophys. J. 2004, 86, 1664-1672]. To provide more insight into the site energies of both Pheo{sub D1} and Pheo{sub D2} (including the corresponding Q{sub x} transitions, which are often claimed to be degenerate at 543 nm) and to attest that the above two assignments are most likely incorrect, we studied a large number of isolated RC preparations from spinach and wild-type Chlamydomonas reinhardtii (at different levels of intactness) as well as the Chlamydomonas reinhardtii mutant (D2-L209H), in which the active branch Pheo{sub D1} is genetically replaced with chlorophyll {alpha} (Chl {alpha}). We show that the Q{sub x}-/Q{sub y}-region site energies of Pheo{sub D1} and Pheo{sub D2} are {approx}545/680 nm and {approx}541.5/670 nm, respectively, in good agreement with our previous assignment

Activated by Combined Magnrtic Field Gravitropic Reaction Reply on Nanodose of Biologicaly Active Compounds

Science.gov (United States)

Sheykina, Nadezhda; Bogatina, Nina

The new science direction nanotechnologies initiated a big jump in the pharmacology and medicine. This leads to the big development of homeopathy. The most interest appeared while investigating of the reaction of biological object on the nano dose of iologically substances. The changing of concentration (in nmol/l) of biologically active material is also possible during weak energy action. For instance, weak combined magnetic field may change a little the concentration of ions that are oriented parallel to the external magnetic field and, by the analogy with said above, lead to the similar effects. Simple estimations give the value for the threshold to the magnetic field by two orders smaller than the geomagnetic field. By this investigation we wanted to understand whether the analogy in the action of nano dose of biologically active substances and weak combined magnetic field presents and whether the action of one of these factors may be replaced by other one. The effect of one of biologically active substances NPA (Naphtyl-Phtalame Acid) solution with the concentration 0.01 mol/l on the gravitropic reaction of cress roots was investigated. It was shown that its effect was the inhibition of cress roots gravitropic reaction. The same inhibition was achieved by the combined magnetic field action on the cress roots, germinated in water. The alternative component of the combined magnetic field coincided formally with the cyclotron frequency of NPA ions. So the analogy in the action of nano dose of biologically active substances and weak combined magnetic field was shown. The combined magnetic field using allows to decrease sufficiently the dose of biologically active substances. This fact can be of great importance in pharmacy and medicine.

Total cross-sections for reactions of high energy particles (including elastic, topological, inclusive and exclusive reactions). Subvol. b

International Nuclear Information System (INIS)

Schopper, H.; Moorhead, W.G.; Morrison, D.R.O.

1988-01-01

The aim of this report is to present a compilation of cross-sections (i.e. reaction rates) of elementary particles at high energy. The data are presented in the form of tables, plots and some fits, which should be easy for the reader to use and may enable him to estimate cross-sections for presently unmeasured energies. We have analyzed all the data published in the major Journals and Reviews for momenta of the incoming particles larger than ≅ 50 MeV/c, since the early days of elementary particle physics and, for each reaction, we have selected the best cross-section data available. We have restricted our attention to integrated cross-sections, such as total cross-sections, exclusive and inclusive cross-sections etc., at various incident beam energies. We have disregarded data affected by geometrical and/or kinematical cuts which would make them not directly comparable to other data at different energies. Also, in the case of exclusive reactions, we have left out data where not all of the particles in the final state were unambiguously identified. This work contains reactions induced by neutrinos, gammas, charged pions, kaons, nucleons, antinucleons and hyperons. (orig./HSI)

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.

New Insight into the Hydrogen Evolution Reaction under Buffered Near-Neutral pH Conditions: Enthalpy and Entropy of Activation

KAUST Repository

Shinagawa, Tatsuya; Takanabe, Kazuhiro

2016-01-01

performance was summarized with respect to the binding energy of the reaction intermediate species, a classic volcano-shaped relationship was obtained. Interestingly, the temperature sensitivity analysis disclosed that smaller activation energies did

Low-Energy Nuclear Reactions of Protons in Host Metals at Picometre Distance

International Nuclear Information System (INIS)

Heinrich Hora; George H. Miley; Jak C. Kelly

2000-01-01

A review is given for the explanation of the measurements of Miley (et al.) of a fully reproducible generation of nuclei of the whole periodic table by protons in host metals during a several-weeks reaction. Similar low-energy nuclear reactions (LENR) were observed by other groups. The fact that the heavy nuclides are not due to pollution can be seen from the fact that such very rare elements as thulium and terbium were detected by unique K-shell X-ray spectra. The nuclear reaction energy goes into the heavy nuclei as measured from much bigger traces in CR39 than from alphas. The fact that any reaction of the protons results in stable daughter nuclei is confirmed by the fact that the highest energy gain is resulting with stable reaction products. This has been explained in Ref. 2, and the energy gain for the heavy element generation by a compound reaction was discussed. The explanation is based on the model of the authors from 1989 to assume free motion of the protons contrary to localized crystalline states. A relation of the reaction time U on distance d of the reacting nuclei by a power law with an exponent 34.8 was derived. Based on few reproducible D-D reactions, a reaction time near the range of megaseconds and a reaction distance of nanometers was concluded. A splendid confirmation of the picometre-megasecond reactions was achieved by Li (et al.) from his direct quantum mechanical calculations of the hot fusion D-T reactions based on a one-step selective resonance tunneling model. Li (et al.) were able for the first time to derive the cross sections of the hot fusion. Li's application to picometre distance showed megasecond reaction times with no neutron or gamma emission. Because of the imaginary part in the Schroedinger potential, the problem of the level width is reduced by damping

Surface-Activated Coupling Reactions Confined on a Surface.

Science.gov (United States)

Dong, Lei; Liu, Pei Nian; Lin, Nian

2015-10-20

Chemical reactions may take place in a pure phase of gas or liquid or at the interface of two phases (gas-solid or liquid-solid). Recently, the emerging field of "surface-confined coupling reactions" has attracted intensive attention. In this process, reactants, intermediates, and products of a coupling reaction are adsorbed on a solid-vacuum or a solid-liquid interface. The solid surface restricts all reaction steps on the interface, in other words, the reaction takes place within a lower-dimensional, for example, two-dimensional, space. Surface atoms that are fixed in the surface and adatoms that move on the surface often activate the surface-confined coupling reactions. The synergy of surface morphology and activity allow some reactions that are inefficient or prohibited in the gas or liquid phase to proceed efficiently when the reactions are confined on a surface. Over the past decade, dozens of well-known "textbook" coupling reactions have been shown to proceed as surface-confined coupling reactions. In most cases, the surface-confined coupling reactions were discovered by trial and error, and the reaction pathways are largely unknown. It is thus highly desirable to unravel the mechanisms, mechanisms of surface activation in particular, of the surface-confined coupling reactions. Because the reactions take place on surfaces, advanced surface science techniques can be applied to study the surface-confined coupling reactions. Among them, scanning tunneling microscopy (STM) and X-ray photoelectron spectroscopy (XPS) are the two most extensively used experimental tools. The former resolves submolecular structures of individual reactants, intermediates, and products in real space, while the latter monitors the chemical states during the reactions in real time. Combination of the two methods provides unprecedented spatial and temporal information on the reaction pathways. The experimental findings are complemented by theoretical modeling. In particular, density

Reversible aqueous zinc/manganese oxide energy storage from conversion reactions

Energy Technology Data Exchange (ETDEWEB)

Pan, Huilin; Shao, Yuyan; Yan, Pengfei; Cheng, Yingwen; Han, Kee Sung; Nie, Zimin; Wang, Chongmin; Yang, Jihui; Li, Xiaolin; Bhattacharya, Priyanka; Mueller, Karl T.; Liu, Jun

2016-04-18

Rechargeable aqueous batteries are attracting growing interest for energy storage due to their low cost and high safety. Fundamental understanding of highly reversible aqueous reactions is critical for building high-performance batteries. Herein, we studied the reversibility of Zn/MnO2 battery chemistry in mild aqueous MnSO4 electrolytes. α-MnO2 nanofibers were used as a high performance cathode. Our study provides good evidence for a conversion reaction mechanism through reversible formation of short nanorods and nanoparticle aggregates. This reversible conversion reaction provides an operating voltage of 1.44 V, high capacity of 285 mAh g-1, excellent rate and capacity retention of 92% after 5000 cycles. Zn metal anode also shows high reversibility in the mild aqueous MnSO4 electrolytes. The highly reversible and stable chemistries in aqueous Zn/MnO2 batteries open new opportunity for energy storage technologies with potentially high energy density, high safety, and low cost.

Activation cross section and isomeric cross-section ratio for the (n,2n) reaction on {sup 132,134}Ba

Energy Technology Data Exchange (ETDEWEB)

Luo, Junhua [Hexi Univ., Zhangye (China). School of Physics and Electromechanical Engineering; Hexi Univ., Zhangye (China). Inst. of New Energy; Wu, Chunlei; Jiang, Li [Chinese Academy of Engineering Physics, Mianyang (China). Inst. of Nuclear Physics and Chemistry; Li, Suyuan [Hexi Univ., Zhangye (China). Inst. of New Energy

2017-07-01

Cross sections of the {sup 132}Ba(n,2n){sup 131m,g}Ba and {sup 134}Ba(n,2n){sup 133m,g}Ba reactions and their isomeric cross section ratios σ{sub m}/σ{sub g} have been measured by means of the activation technique at three neutron energies in the range 13-15 MeV. BaCO{sub 3} samples and Nb monitor foils were activated together to determine the reaction cross section and the incident neutron flux. The quasimonoenergetic neutrons beam were produced via the {sup 3}H(d,n){sup 4}He reaction at the Pd-300 Neutron Generator of the Chinese Academy of Engineering Physics (CAEP). The activities induced in the reaction products were measured using high-resolution γ ray spectroscopy. The pure cross section of the ground-state was derived from the absolute cross section of the metastable state and the residual nuclear decay analysis. Cross sections were also evaluated theoretically using the numerical nuclear model code, TALYS-1.8 with different level density options at neutron energies varying from the reaction threshold to 20 MeV. Results are discussed and compared with the corresponding literature.

Nanoscopic analysis using Maruhn-Greiner theory by energy based variables in lattice for low energy nuclear reactions (LENRs)

International Nuclear Information System (INIS)

Cho, Hyo Sung; WooTae Ho

2016-01-01

Maruhn-Greiner theory is investigated for the low energy nuclear reactions (LENRs) in the aspect of the energy productions. Conventional nuclear reactions could give the hints in another kind of the nuclear theoretical utilizations. The results of simulations show the ranges of the configurations for H-ion to Pd with 10; 000 ions as 10 and 180 keV. The most probable ranges are 30 and 600 nanometers respectively. In the simulation result of broad energy regions, the cutoff energy, 350 keV , is very significant in analyzing the LENR, because the range usually depends on the entering particle, target particle, and energy of the entering particle. Therefore, the 350 keV shows there is priority for hydrogen interaction from the energy. In the analysis, the water (H_2O) has the better possibility in LENR after the 350 keV . Following the simulation for searching LENRs, the possible conditions that include the energy based variables of atomic ranges, Debye length, and reaction time has been investigated for the designed energy productions

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.

S-factor for radiative capture reactions for light nuclei at astrophysical energies

Science.gov (United States)

Ghasemi, Reza; Sadeghi, Hossein

2018-06-01

The astrophysical S-factors of thermonuclear reactions, including radiative capture reactions and their analysis in the frame of different theoretical models, are the main source of nuclear processes. We have done research on the radiative capture reactions importance in the framework of a potential model. Investigation of the reactions in the astrophysical energies is of great interest in the aspect of astrophysics and nuclear physics for developing correct models of burning and evolution of stars. The experimental measurements are very difficult and impossible because of these reactions occurrence at low-energies. In this paper we do a calculation on radiative capture astrophysical S-factors for nuclei in the mass region A theoretical methods.

Macroscopic/microscopic simulation of nuclear reactions at intermediate energies

International Nuclear Information System (INIS)

Lacroix, D.; Van Lauwe, A.; Durand, D.

2003-01-01

An event generator, HIPSE (Heavy-Ion Phase-Space Exploration), dedicated to the description of nuclear collisions in the intermediate energy range is presented. The model simulates events for reactions close to the fusion barrier (5-10 MeV/A) up to higher energy (100 MeV/A) and it gives access to the phase-space explored during the collision. The development of HIPSE has been largely influenced by experimental observations. We have separated the reaction into 4 steps: contact, fragment formation, chemical freeze-out, and in-flight deexcitation. HIPSE will be useful for a study of various mechanisms such as neck fragmentation or multi-fragmentation

Characterization of low energy radioactive beams using direct reactions

DEFF Research Database (Denmark)

Johansen, J.G.; Fraser, M.A.; Bildstein, V.

2013-01-01

We demonstrate a new technique to determine the beam structure of low energy radioactive beams using coincidence events from a direct reaction. The technique will be described and tested using Geant4 simulations. We use the technique to determine for the first time the width, divergence and energy...

Energy-differential cross section measurement for the 51V(n,α)48Sc reaction

International Nuclear Information System (INIS)

Kanno, I.; Meadows, J.W.; Smith, D.L.

1984-07-01

The activation method was used to measure cross sections for the 51 V(n,α) 48 Sc reaction in the threshold region, from 5.515 MeV up to 9.567 MeV. Twenty approximately-monoenergetic cross section values were obtained in this experiment. These data points span the energy region at roughly equal intervals. The experimental resolutions were in the range 0.153 to 0.233 MeV (FWHM). The present differential data cover approx. 50% of the total integral response of this reaction for the standard 235 U thermal-neutron-induced-fission neutron spectrum, and approx. 44% of the corresponding response for the standard 252 Cf spontaneous-fission neutron spectrum. Over the range 7.6 to 9.5 MeV the present experimental cross sections are noticeably larger (e.g., by approx. 50% at approx. 8.6 MeV) than the corresponding values from the ENDF/B-V evaluation. From approx. 6.7 to 7.5 MeV, the present values are somewhat below those of ENDF/B-V. At still lower energies the agreement is reasonably good considering the uncertainties introduced by energy scale definition very near the effective threshold where the cross section varies rapidly with neutron energy. Calculated integral cross sections based in part on the present work agree reasonably well within errors with reported integral results, provided that the reported data are renormalized to conform with recently-accepted values for appropriate standard reactions. 70 references

Low-energy nuclear reactions with double-solenoid- based ...

Indian Academy of Sciences (India)

solenoids to produce low-energy radioactive nuclear beams. In these systems the ... For many years, the disadvantage in these investigations ... fusion or breakup reaction, preferred with large forward-peaked cross-sections. To transfer the ...

Free energy for protonation reaction in lithium-ion battery cathode materials

International Nuclear Information System (INIS)

Benedek, R.; Thackeray, M. M.; van de Walle, A.

2008-01-01

Calculations are performed of free energies for proton-for-lithium-ion exchange reactions in lithium-ion battery cathode materials. First-principles calculations are employed for the solid phases and tabulated ionization potential and hydration energy data for aqueous ions. Layered structures, spinel LiMn 2 O 4 , and olivine LiFePO 4 are considered. Protonation is most favorable energetically in layered systems, such as Li 2 MnO 3 and LiCoO 2 . Less favorable are ion-exchange in spinel LiMn 2 O 4 and LiV 3 O 8 . Unfavorable is the substitution of protons for Li in olivine LiFePO 4 , because of the large distortion of the Fe and P coordination polyhedra. The reaction free energy scales roughly linearly with the volume change in the reaction

Energy Sharing and Energy Feedback: Affective and Behavioral Reactions to Communal Energy Displays

Energy Technology Data Exchange (ETDEWEB)

Leygue, Caroline, E-mail: caroline.leygue@nottingham.ac.uk [Horizon Digital Economy Research, University of Nottingham, Nottingham (United Kingdom); Ferguson, Eamonn [School of Psychology, University of Nottingham, Nottingham (United Kingdom); Skatova, Anya [Horizon Digital Economy Research, University of Nottingham, Nottingham (United Kingdom); Spence, Alexa [Horizon Digital Economy Research, University of Nottingham, Nottingham (United Kingdom); School of Psychology, University of Nottingham, Nottingham (United Kingdom)

2014-07-25

Smart meters and energy displays are being rolled out in many countries to help individuals monitor and reduce their energy usage. However, to date, there is little in depth understanding of how they may change behavior. While there is currently a great deal of technical research into developing smart metering, little research has been conducted on how this affects the energy user. This research addresses this gap and explores the user perspective of energy displays when energy is considered as a shared resource. We report an online experiment conducted across the UK examining affective and behavioral responses to energy sharing situations incorporating different types of energy displays. Reactions differed depending on the type of display. In a situation where one person used more than their fair share of energy, displays showing the average amount of usage in the house were associated with feelings of guilt and fear and a decrease in intention to use energy. Displays that identified the person who overused the resource were associated with anger, and direct sanction intentions on those who were overusing energy. Findings are discussed in terms of the smart meter rollout and the potential utility of detailed energy monitoring technologies for behavior change.

Energy sharing and energy feedback: Affective and behavioral reactions to communal energy displays.

Directory of Open Access Journals (Sweden)

Caroline eLeygue

2014-07-01

Full Text Available Smart meters and energy displays are being rolled out in many countries to help individuals monitor and reduce their energy usage. However, to date there is little in depth understanding of how they may change behavior. While there is currently a great deal of technical research into developing smart metering, little research has been conducted on how this affects the energy user. This research addresses this gap and explores the user perspective of energy displays when energy is considered as a shared resource. We report an online experiment conducted across the UK examining affective and behavioral responses to energy sharing situations incorporating different types of energy displays. Reactions differed depending on the type of display. In a situation where one person used more than their fair share of energy, displays showing the average amount of usage in the house were associated with feelings of guilt and fear and a decrease in intention to use energy. Displays that identified the person who overused the resource were associated with anger, and direct sanction intentions on those who were overusing energy. Findings are discussed in terms of the smart meter rollout and the potential utility of detailed energy monitoring technologies for behavior change.

Energy Sharing and Energy Feedback: Affective and Behavioral Reactions to Communal Energy Displays

International Nuclear Information System (INIS)

Leygue, Caroline; Ferguson, Eamonn; Skatova, Anya; Spence, Alexa

2014-01-01

Smart meters and energy displays are being rolled out in many countries to help individuals monitor and reduce their energy usage. However, to date, there is little in depth understanding of how they may change behavior. While there is currently a great deal of technical research into developing smart metering, little research has been conducted on how this affects the energy user. This research addresses this gap and explores the user perspective of energy displays when energy is considered as a shared resource. We report an online experiment conducted across the UK examining affective and behavioral responses to energy sharing situations incorporating different types of energy displays. Reactions differed depending on the type of display. In a situation where one person used more than their fair share of energy, displays showing the average amount of usage in the house were associated with feelings of guilt and fear and a decrease in intention to use energy. Displays that identified the person who overused the resource were associated with anger, and direct sanction intentions on those who were overusing energy. Findings are discussed in terms of the smart meter rollout and the potential utility of detailed energy monitoring technologies for behavior change.

Kinetics of transuranium element oxidation-reduction reactions in solution

International Nuclear Information System (INIS)

Gourisse, D.

1966-09-01

A review of the kinetics of U, Np, Pu, Am oxidation-reduction reactions is proposed. The relations between the different activation thermodynamic functions (compensatory effect, formal entropy of the activated complex, magnitude of reactions velocities) are considered. The effects of acidity, ionic strength deuterium and mixed solvents polarity on reactions rates are described. The effect of different anions on reactions rates are explained by variations of the reaction standard free energy and variations of the activation free energy (coulombic interactions) resulting from the complexation of dissolved species by these anions. (author) [fr

Size-selective electrocatalytic activity of (Pt)n/MoS2for oxygen reduction reaction

DEFF Research Database (Denmark)

Bothra, Pallavi; Pandey, Mohnish; Pati, Swapan K.

2016-01-01

In the present work, we have investigated the electrocatalytic activity of the oxygen reduction reaction (ORR), O2 + 4H+ + 4e− → 2H2O, for (Pt)n clusters (n = 1, 2, 3, 5, 7, 10 and 12) adsorbed on semiconducting (2H) and metallic (1T) MoS2 monolayers using first principles density functional theory....... We have considered four elementary reactions involved in ORR within a unified electrochemical thermodynamic framework and the corresponding Gibbs adsorption free energies of the key intermediates (*OOH, *O, *OH) associated with each step have been calculated. The results indicate that the reduction...... of adsorbed hydroxyl (*OH) to water (*OH + H+ + e− → H2O) is the bottleneck step in the ORR process. The adsorption free energy of *OH (ΔG*OH) is found to be the thermodynamic descriptor for the present systems. Eventually, the ORR activity has been described as a function of ΔG*OH and a volcano plot...

Overview of light water/hydrogen-based low energy nuclear reactions

International Nuclear Information System (INIS)

Miley, George H.; Shrestha, Prajakti J.

2006-01-01

This paper reviews light water and hydrogen-based low-energy nuclear reactions (LENRs) including the different methodologies used to study these reactions and the results obtained. Reports of excess heat production, transmutation reactions, and nuclear radiation emission are cited. An aim of this review is to present a summary of the present status of light water LENR research and provide some insight into where this research is heading. (author)

Activation cross-section measurements of some proton induced reactions on Ni, Co and Mo for proton activation analysis (PAA) purposes

International Nuclear Information System (INIS)

Alharbi, A.A.; Alzahrani, J.; Azzam, A.; Nuclear Research Center, Cairo

2011-01-01

The experimental proton induced reaction cross sections on some elements of the Havar alloy were measured using the activation method and the well established stacked-foil technique combined with high resolution gamma-ray spectroscopy. They included the reactions nat Ni(p,x) 57 Ni, nat Co(p,x) 58(m+g) Co and nat Mo(p,x) 94g,95g,96(m+g) Tc, the aim being to obtain reliable data in the proton energy range up to 26 MeV for some important reactions to be used in the proton activation analysis of steel or other alloys. Irradiations were performed using the CS-30 Cyclotron at KFSH and RC, Riyadh, Saudi Arabia. The activity measurements were carried out in PNU laboratories, Riyadh, Saudi Arabia. The experimental excitation functions for the investigated reactions were constructed and compared with the performed computed theoretical nuclear model calculations using two different codes: ALICE-IPPE and TALYS. A comparison between our measured cross-section values and the available published data is also presented, with a view to checking the consistency of the reported experimental work from various laboratories.

Study of reactions induced by the halo nucleus 11Li with the active target MAYA

International Nuclear Information System (INIS)

Roger, Th.

2009-09-01

Active targets are perfect tools for the study of nuclear reactions induced by very low intensity radioactive ion beams. They also enable the simultaneous study of direct and compound nuclear reactions. The active target MAYA, built at GANIL, has been used to study the reactions induced by a 4.3*A MeV 11 Li beam at the ISAC2 accelerator TRIUMF (Canada). The angular distributions for the elastic scattering and the one and two neutron transfer reaction have been reconstructed. The elastic scattering angular distribution indicates a strong enhancement of the flux absorption with respect to the neighbouring nuclei. From a coupled channel analysis of the two neutron transfer reaction for different three body models, the information on the structure of the halo of the Borromean nucleus 11 Li have been extracted. Meanwhile, the energy dependence of the elastic scattering reaction has been studied, using the active target MAYA as a thick target. The resulting spectrum shows a resonance around 3 MeV centre of mass. This resonance could be an isobaric analog state of 12 Li, observed in 12 Be. R matrix calculations have been performed in order to extract the parameters (spin and parity) of this state. (author)

Calculation of neutron monitor reaction cross sections of {sup 90}Zr in energy region up to 100 MeV

Energy Technology Data Exchange (ETDEWEB)

Qingbiao, Shen; Baosheng, Yu; Dunjiu, Cai [Chinese Nuclear Data Center, Beijing, BJ (China)

1996-06-01

Many nuclear data for n + {sup 90}Zr reaction were calculated by using optical model evaporation model and exciton model. The program SPEC, including the first to the sixth particle emission processes, was used in our calculations. The calculated results show that the activation products {sup 89,88}Zr and {sup 88,87}Y are important neutron monitor reaction products for n + {sup 90}Zr reaction in energy range up to 100 MeV. (4 figs.).

NMTC/JAM, Simulates High Energy Nuclear Reactions and Nuclear-Meson Transport Processes

International Nuclear Information System (INIS)

Furihata, Shiori

2002-01-01

1 - Description of program or function: NMTC/JAM is an upgraded version of the code system NMTC/JAERI97. NMTC/JAERI97 simulates high energy nuclear reactions and nucleon-meson transport processes. It implements an intra-nuclear cascade model taking account of the in-medium nuclear effects and the pre-equilibrium calculation model based on the exciton one. For treating the nucleon transport process, the nucleon-nucleus cross sections are revised to those derived by the systematics of Pearlstein. Moreover, the level density parameter derived by Ignatyuk is included as a new option for particle evaporation calculation. A geometry package based on the Combinatorial Geometry with multi-array system and the importance sampling technique is implemented in the code. Tally function is also employed for obtaining such physical quantities as neutron energy spectra, heat deposition and nuclide yield without editing a history file. The code can simulate both the primary spallation reaction and the secondary particle transport in the intermediate energy region from 20 MeV to 3.5 GeV by the use of the Monte Carlo technique. The code has been employed in combination with the neutron-photon transport codes available to the energy region below 20 MeV for neutronics calculation of accelerator-based subcritical reactors, analyses of thick target spallation experimented and so on. 2 - Methods: High energy nuclear reactions induced by incident high energy protons, neutrons and pions are simulated with the Monte Carlo Method by the intra-nuclear nucleon-nucleon reaction probabilities based on an intra-nuclear nucleon cascade model followed by the particle evaporation including high energy fission process. Jet-Aa Microscopic transport model (JAM) is employed to simulate high energy nuclear reactions in the energy range of GeV. All reaction channels are taken into account in the JAM calculation. An intra-nuclear cascade model (ISOBAR code) taking account of the in-medium nuclear effects

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

Science.gov (United States)

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

2012-03-09

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

Role of compound nuclei in intermediate-energy heavy-ion reactions

International Nuclear Information System (INIS)

Moretto, L.G.; Wozniak, G.J.

1988-05-01

Hot compound nuclei are frequently produced in intermediate-energy reactions through a variety of processes. Their decay is shown to be an important and at times dominant source of complex fragments, high energy-gamma rays, and even pions

Extension of the energy range of experimental activation cross-sections data of deuteron induced nuclear reactions on indium up to 50MeV.

Science.gov (United States)

Tárkányi, F; Ditrói, F; Takács, S; Hermanne, A; Ignatyuk, A V

2015-11-01

The energy range of our earlier measured activation cross-sections data of longer-lived products of deuteron induced nuclear reactions on indium were extended from 40MeV up to 50MeV. The traditional stacked foil irradiation technique and non-destructive gamma spectrometry were used. No experimental data were found in literature for this higher energy range. Experimental cross-sections for the formation of the radionuclides (113,110)Sn, (116m,115m,114m,113m,111,110g,109)In and (115)Cd are reported in the 37-50MeV energy range, for production of (110)Sn and (110g,109)In these are the first measurements ever. The experimental data were compared with the results of cross section calculations of the ALICE and EMPIRE nuclear model codes and of the TALYS 1.6 nuclear model code as listed in the on-line library TENDL-2014. Copyright © 2015 Elsevier Ltd. All rights reserved.

Studying astrophysical reactions with low-energy RI beams at CRIB

Directory of Open Access Journals (Sweden)

Yamaguchi H.

2016-01-01

Full Text Available Studies on nuclear astrophysics, nuclear structure, and other interests have been performed using the radioactive-isotope (RI beams at the low-energy RI beam separator CRIB, operated by Center for Nuclear Study (CNS, the University of Tokyo. A typical measurement performed at CRIB is the elastic resonant scattering with the inverse kinematics. One recent experiment was on the α resonant scattering with 7Li and 7Be beams. This study is related to the astrophysical 7Li/7Be(α,γ reactions, important at hot p-p chain and νp-process in supernovae. There have also been measurements based on other experimental methods. The first THM measurement using an RI beam has been performed at CRIB, to study the 18F(p, α15O reaction at astrophysical energies via the three body reaction 2H(18F, α15On. The 18F(p, α 15O reaction rate is crucial to understand the 511-keV γ-ray production in nova explosion phenomena, and we successfully evaluated the reaction cross section at novae temperature and below experimentally for the first time.

Vibrational-state-selected ion--molecule reaction cross sections at thermal energies

NARCIS (Netherlands)

Pijkeren, D. van; Boltjes, E.; Eck, J. van; Niehaus, A.

1984-01-01

A method designed to measure relative ion—molecule reaction rates at thermal collision energies for selected reactant ion vibrational states is described. Relative reaction rates are determined for the three endothermic reactions: H2+ (υ)(He,H)HeH+, H2+ (υ)(Ne,H)NeH+, D2+(υ)(Ne, D)NeD+, and for the

Nuclear reactions video (knowledge base on low energy nuclear physics)

International Nuclear Information System (INIS)

Zagrebaev, V.; Kozhin, A.

1999-01-01

The NRV (nuclear reactions video) is an open and permanently extended global system of management and graphical representation of nuclear data and video-graphic computer simulation of low energy nuclear dynamics. It consists of a complete and renewed nuclear database and well known theoretical models of low energy nuclear reactions altogether forming the 'low energy nuclear knowledge base'. The NRV solves two main problems: 1) fast and visualized obtaining and processing experimental data on nuclear structure and nuclear reactions; 2) possibility for any inexperienced user to analyze experimental data within reliable commonly used models of nuclear dynamics. The system is based on the realization of the following principal things: the net and code compatibility with the main existing nuclear databases; maximal simplicity in handling: extended menu, friendly graphical interface, hypertext description of the models, and so on; maximal visualization of input data, dynamics of studied processes and final results by means of real three-dimensional images, plots, tables and formulas and a three-dimensional animation. All the codes are composed as the real Windows applications and work under Windows 95/NT

ACT-XN: Revised version of an activation calculation code for fusion reactor analysis. Supplement of the function for the sequential reaction activation by charged particles

International Nuclear Information System (INIS)

Yamauchi, Michinori; Sato, Satoshi; Nishitani, Takeo; Konno, Chikara; Hori, Jun-ichi; Kawasaki, Hiromitsu

2007-09-01

The ACT-XN is a revised version of the ACT4 code, which was developed in the Japan Atomic Energy Research Institute (JAERI) to calculate the transmutation, induced activity, decay heat, delayed gamma-ray source etc. for fusion devices. The ACT4 code cannot deal with the sequential reactions of charged particles generated by primary neutron reactions. In the design of present experimental reactors, the activation due to sequential reactions may not be of great concern as it is usually buried under the activity by primary neutron reactions. However, low activation material is one of the important factors for constructing high power fusion reactors in future, and unexpected activation may be produced through sequential reactions. Therefore, in the present work, the ACT4 code was newly supplemented with the calculation functions for the sequential reactions and renamed the ACT-XN. The ACT-XN code is equipped with functions to calculate effective cross sections for sequential reactions and input them in transmutation matrix. The FISPACT data were adopted for (x,n) reaction cross sections, charged particles emission spectra and stopping powers. The nuclear reaction chain data library were revised to cope with the (x,n) reactions. The charged particles are specified as p, d, t, 3 He(h) and α. The code was applied to the analysis of FNS experiment for LiF and Demo-reactor design with FLiBe, and confirmed that it reproduce the experimental values within 15-30% discrepancies. In addition, a notice was presented that the dose rate due to sequential reaction cannot always be neglected after a certain period cooling for some of the low activation material. (author)

An ab initio potential energy surface for the reaction N+ + H2→ NH+ + H

International Nuclear Information System (INIS)

Gittins, M.A.; Hirst, D.M.

1975-01-01

Preliminary results of ab initio unrestricted Hartree-Fock calculations for the potential energy surface for the reaction N + + H 2 →NH + + H are reported. For the collinear approach of N + to H 2 , the 3 Σ - surface has no activation barrier and has a shallow well (ca.1eV). For perpendicular approach (Csub(2V)symmetry) the 3 B 2 states is of high energy, the 3 A 2 state has a shallow well but as the bond angle increases the 3 B 1 states decreases in energy to become the state of lowest energy. Neither the collinear nor the perpendicular approaches give adiabatic pathways to the deep potential well of 3 B 1 (HNH) + . (auth.)

Prediction of Tetraoxygen Reaction Mechanism with Sulfur Atom on the Singlet Potential Energy Surface

Directory of Open Access Journals (Sweden)

Ashraf Khademzadeh

2014-01-01

Full Text Available The mechanism of S+O4 (D2h reaction has been investigated at the B3LYP/6-311+G(3df and CCSD levels on the singlet potential energy surface. One stable complex has been found for the S+O4 (D2h reaction, IN1, on the singlet potential energy surface. For the title reaction, we obtained four kinds of products at the B3LYP level, which have enough thermodynamic stability. The results reveal that the product P3 is spontaneous and exothermic with −188.042 and −179.147 kcal/mol in Gibbs free energy and enthalpy of reaction, respectively. Because P1 adduct is produced after passing two low energy level transition states, kinetically, it is the most favorable adduct in the 1S+1O4 (D2h atmospheric reactions.

Fragment mass distribution of proton-induced spallation reaction with intermediate energy

International Nuclear Information System (INIS)

Fan Sheng; Ye Yanlin; Xu Chuncheng; Chen Tao; Sobolevsky, N.M.

2000-01-01

The test of part benchmark of SHIELD code is finished. The fragment cross section and mass distribution and excitation function of the residual nuclei from proton-induced spallation reaction on thin Pb target with intermediate energy have been calculated by SHIELD code. And the results are in good agreement with measured data. The fragment mass distribution of the residual nuclei from proton-induced spallation reaction on thick Pb target with incident energy 1.6 GeV have been simulated

Sequential charged-particle and neutron activation of Flibe in the HYLIFE-II inertial fusion energy power plant design

International Nuclear Information System (INIS)

Latkowski, J.F.; Tobin, M.T.; Vujic, J.L.; Sanz, J.

1996-01-01

Most radionuclide generation/depletion codes consider only neutron reactions and assume that charged particles, which may be generated in these reactions, deposit their energy locally without undergoing further nuclear interactions. Neglect of sequential charged-particle (x,n) reactions can lead to large underestimation in the inventories of radionuclides. PCROSS code was adopted for use with the ACAB activation code to enable calculation of the effects of (x,n) reactions upon radionuclide inventories and inventory-related indices. Activation calculations were made for Flibe (2LiF + BeF 2 ) coolant in the HYLIFE-II inertial fusion energy (IFE) power plant design. For pure Flibe coolant, it was found that (x,n) reactions dominate the residual contact dose rate at times of interest for maintenance and decommissioning. For impure Flibe, however, radionuclides produced directly in neutron reaction dominate the contact dose rate and (x,n) reactions do not make a significant contribution. Results demonstrate potential importance of (x,n) reactions and that the relative importance of (x,n) reactions varies strongly with the composition of the material considered. Future activation calculations should consider (x,n) reactions until a method for pre-determining their importance is established

Process and device for energy production from thermonuclear fusion reactions

International Nuclear Information System (INIS)

Bussard, R.W.; Coppi, Bruno.

1977-01-01

An energy generating system is described using a fusion reaction. It includes several contrivances for confining a plasma in an area, a protective device around a significant part of each of these confinement contrivances, an appliance for introducing a fusion reaction fuel in each of the confinements so that the plasma may be formed. Each confinement can be separated from the protective device so that it may be replaced by another. The system is connected to the confinements, to the protective devices or to both. It enables the thermal energy to be extracted and transformed into another form, electric, mechanical or both [fr

Isovector couplings for nucleon charge-exchange reactions at intermediate energies

International Nuclear Information System (INIS)

Love, W.G.; Nakayama, K.; Franey, M.A.

1987-01-01

The isovector parts of the effective nucleon-nucleon interaction are studied by examination of the reaction /sup 14/C(p,n) at intermediate energies near zero momentum transfer with use of recently developed G-matrix and free--t-matrix interactions. The spin-independent coupling (V/sub tau/) exhibits a strong energy and density dependence which, in the case of the G matrix based on the Bonn potential, significantly improves the agreement between calculated values of chemical bondV/sub σ//sub tau//V/sub tau/chemical bond 2 at q = 0 and those recently extracted from the reaction /sup 14/C

Kinetics of transuranium element oxidation-reduction reactions in solution; Cinetique des reactions d'oxydo-reduction des elements transuraniens en solution

Energy Technology Data Exchange (ETDEWEB)

Gourisse, D [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

1966-09-01

A review of the kinetics of U, Np, Pu, Am oxidation-reduction reactions is proposed. The relations between the different activation thermodynamic functions (compensatory effect, formal entropy of the activated complex, magnitude of reactions velocities) are considered. The effects of acidity, ionic strength deuterium and mixed solvents polarity on reactions rates are described. The effect of different anions on reactions rates are explained by variations of the reaction standard free energy and variations of the activation free energy (coulombic interactions) resulting from the complexation of dissolved species by these anions. (author) [French] Une revue systematique de la cinetique des reactions d'oxydo-reduction des elements U, Np, Pu, Am, en solution perchlorique est proposee. Des considerations relatives aux grandeurs thermodynamiques d'activation associees aux actes elementaires (effet de compensation, entropie standard des complexes actives, rapidite des reactions) sont developpees. L'influence de l'acidite, de la force ionique, de l'eau lourde et de la polarite des solvants mixtes sur la vitesse des reactions est decrite. Enfin l'influence des differents anions sur la vitesse des reactions est expliquee par les variations de l'enthalpie libre standard de la reaction et de l'enthalpie libre d'activation (travail des forces electrostatiques) resultant de la complexation des especes dissoutes dans la solution. (auteur)

(γ,2n) reactions in complexe nuclei at intermediate energies

International Nuclear Information System (INIS)

Pinheiro Filho, J. de D.

1976-01-01

The Monte Carlo Method has been used in the intranuclear cascade model for the calculation of the cross sections of the (γ,2n) reactions in complex nuclei 9 Be, 12 C, 16 O, 59 Co, 103 Rh, 127 I, 197 Au and 209 Bi at intermediate energies (200MeV-1000MeV). The initial photon-interaction via the photomesonic and quasi-deuteron mechanisms have been taken into account. The nuclear model used was a degenerate Fermi gas of nucleons, and the Pauli exclusion principle was considered in all secondary interactions. To improve accuracy in the results of the calculations, 30000 cascades have been followed for each target nucleus at a given incident photon energy. The probabilities of the various (γ,2n) reactions, as well as the correspondent cross section obtained, are summarized in tables and graphs. New data on the cross sections of the 59 Co (γ,2n) and 209 Bi (γ,2n) reactions at photon energies between 300 MeV and 1000MeV are also reported. These measurements were obtained with the Bremsstrahlung beams of the Frascati 1 GeV Electron Synchrotron. A comparison between all existing data in the literature on the (γ,2n) reaction cross sections and the estimates by the Monte Carlo Method, is presented. (Author) [pt

dd →3 Hen Reaction at Intermediate Energies

International Nuclear Information System (INIS)

Ladygina, N. B.

2012-01-01

The dd → 3 Hen reaction is considered at the energies between 200 and 520 MeV. The Alt-Grassberger-Sandhas equations are iterated up to the lowest order terms over the nucleon-nucleon t-matrix. The parameterized 3He wave function including five components is used. The angular dependence of the differential cross section and energy dependence of tensor analyzing power T 20 at the zero scattering angle are presented in comparison with the experimental data. (author)

High-energy nuclear reaction mechanisms - fission, fragmentation and spallation

International Nuclear Information System (INIS)

Kaufman, S.B.

1987-01-01

Measurements of the correlations in kinetic energy, mass, charge, and angle of coincident fragments formed in high-energy nuclear reactions have helped to characterize the processes of fission, fragmentation and spallation. For example, fission or fission-like two-body breakup mechanisms result in a strong angular correlation between two heavy fragments; in addition, the momentum transfer in the reaction can be deduced from the correlation. Another example is the multiplicity of light charged particles associated with a given heavy fragment, which is a measure of the violence of the collision, thus distinguishing between central and peripheral collisions. A summary of what has been learned about these processes from such studies will be given, along with some suggestions for further experiments

Low Energy Electrons as Probing Tool for Astrochemical Reaction Mechanisms

Science.gov (United States)

Hendrik Bredehöft, Jan; Swiderek, Petra; Hamann, Thorben

hitting anything solid, they will create secondary electrons. These electrons are in fact the energy source needed to run interstellar chemistry. Slow electrons can in principle trigger three different primary processes in a molecule. The first is ionisation by electron impact (EI), which is used to create ions in mass spectrometry. In this process an electron hits a molecule M and knocks an outer shell electron to create a cation. This occurs whenever the electron energy is above the ionisation threshold of the target molecule. Another possibility is the attachment of a slow electron to a molecule to create an anion. This can occur at sharply defined resonance energies specific to the molecule M. A third possibility is to excite the molecule M to a neutral state M∗ .[9] M + e- -> M+ + 2 e- (Electron impact ionisation) M + e- -> M- (Electron attachment) M + e- -> M∗ + e- (Neutral excitation) The created states M+ , M- and M∗ are usually not stable states so they very often dissociate into ions and radicals, which can then further react with neighbouring molecules to form new chemical species. In these chemical reactions some products can be formed even at very low temperatures that would otherwise require a lot of thermal energy and/or special catalysts. The formation of ethylamine from ethylene and ammonia by hydroamination is one such example. The reaction is characterized by a high activation barrier caused by the electronic repulsion between the electron density rich C=C double bound and the lone pair electrons of ammo-nia. The reaction also has a highly negative entropy, so it becomes less favourable at higher temperatures, ruling out heat as a means to facilitate the reaction. In classical chemistry this problem is overcome by the use of catalysts. Unfortunately there still is no general catalyst for this kind of reaction. Recently it was shown that the reaction can efficiently be induced by low energy electron radiation.[10] One of the reaction partners is

Communication: State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal.

Science.gov (United States)

Zhao, Bin; Sun, Zhigang; Guo, Hua

2015-06-28

Quantum state-to-state dynamics of a prototypical four-atom reaction, namely, Cl + H2O → HCl + OH, is investigated for the first time in full dimensionality using a transition-state wave packet method. The state-to-state reactivity and its dependence on the reactant internal excitations are analyzed and found to share many similarities both energetically and dynamically with the H + H2O → H2 + OH reaction. The strong enhancement of reactivity by the H2O stretching vibrational excitations in both reactions is attributed to the favorable energy flow into the reaction coordinate near the transition state. On the other hand, the insensitivity of the product state distributions with regard to reactant internal excitation stems apparently from the transition-state control of product energy disposal.

Communication: State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal

International Nuclear Information System (INIS)

Zhao, Bin; Guo, Hua; Sun, Zhigang

2015-01-01

Quantum state-to-state dynamics of a prototypical four-atom reaction, namely, Cl + H 2 O → HCl + OH, is investigated for the first time in full dimensionality using a transition-state wave packet method. The state-to-state reactivity and its dependence on the reactant internal excitations are analyzed and found to share many similarities both energetically and dynamically with the H + H 2 O → H 2 + OH reaction. The strong enhancement of reactivity by the H 2 O stretching vibrational excitations in both reactions is attributed to the favorable energy flow into the reaction coordinate near the transition state. On the other hand, the insensitivity of the product state distributions with regard to reactant internal excitation stems apparently from the transition-state control of product energy disposal

Intermediate and high energy nuclear reactions at the hadronic structural level

Energy Technology Data Exchange (ETDEWEB)

Slowinski, B [Institute of Physics, Warsaw, University of Technology, Poland, Institute of Atomic Energy, Swierk, (Poland)

1997-12-31

Form tens of MeV to several hundred of GeV is stretched out quite a large interval of energy when the interaction between hadrons (for instance, pion/nucleon-nucleus and nucleus-nucleus reactions) can be described by the considerably simplified way with still acceptable accuracy. This happens because in this energy region hadrons (i.e. pions, nucleons etc.) remain quasiparticles of nuclear matter mostly without revealing any internal structure, their de Broglie`s wavelength is much shorter as compared to the average intranuclear nucleon`s distance, and the energy transfers in the reaction are, on the average, significantly greater than the binding energy of nucleons inside nuclei. Consequently an approach to the analysis of these phenomena based on simple geometric and probabilistic considerations is justifiable, especially for many practical purposes, in particular, for shielding and dosimetric estimations, material behaviour prediction, as well as for the approximate evaluation of electronuclear breeding effects in different composites of target materials, for nuclear passivation problems and so on. In this work basic physical reasons of such a simplified picture of intermediate and high energy nuclear reactions are presented. The most usual phenomenological models of hadronic multiple emission/production and recent results of the cascade evaporation type models, are also discussed. 2 figs.

Cross section measurement and integral test for several activation reactions using T + d and thick-Li + d sources

International Nuclear Information System (INIS)

Dumais, J.R.; Tanaka, S.; Odano, N.; Iwasaki, S.; Sugiyama, K.

1988-01-01

Recent activities on the area of the cross section measurement for several activation reactions at Department of Nucl. Eng., Tohoku Univ. are described. The first subject is the cross section measurement for (n,2n) reaction on aluminum using the RTNS-II neutron source. Cross sections with rather small error band were obtained for the incident neutron energies from 14 to 14.7 MeV. The second one is the status of the program for the integral experiments on several reactions using the thick Li + d source at Tohoku Fast Neutron Lab. The experimental results showed the usefullness of the source as a tool for the cross section assessment. (author)

Improving the electrocatalytic performance of carbon nanotubes for VO{sup 2+}/VO{sub 2}{sup +} redox reaction by KOH activation

Energy Technology Data Exchange (ETDEWEB)

Dai, Lei; Jiang, Yingqiao; Meng, Wei; Zhou, Huizhu [School of Chemical Engineering, North China University of Science and Technology, Tangshan 063009 (China); Wang, Ling, E-mail: tswling@126.com [School of Chemical Engineering, North China University of Science and Technology, Tangshan 063009 (China); He, Zhangxing, E-mail: zxhe@ncst.edu.cn [School of Chemical Engineering, North China University of Science and Technology, Tangshan 063009 (China); State Key Laboratory Breeding Base of Nuclear Resources and Environment, East China Institute of Technology, Nanchang 330013 (China)

2017-04-15

Highlights: • KOH-activated carbon nanotubes (CNTs) was investigated as superior catalyst for VO{sup 2+}/VO{sub 2}{sup +} redox reaction for vanadium redox flow battery (VRFB) for the first time. • KOH activation for CNTs can result in the chemical etching of surface and improved wettability, accelerating the mass transfer of vanadium ions. • KOH activation can introduce many oxygen-containing groups as active sites on the surface of CNTs. • KOH-activated CNTs as positive catalyst could increase the comprehensive energy storage performance of VRFB. - Abstract: In this paper, carbon nanotubes (CNTs) was activated by KOH treatment at high temperature and investigated as catalyst for VO{sup 2+}/VO{sub 2}{sup +} redox reaction for vanadium redox flow battery (VRFB). X-ray photoelectron spectroscopy results suggest that the oxygen-containing groups can be introduced on CNTs by KOH activation. The mass transfer of vanadium ions can be accelerated by chemical etching by KOH activation and improved wettability due to the introduction of hydrophilic groups. The electrochemical properties of VO{sup 2+}/VO{sub 2}{sup +} redox reaction can be enhanced by introduced oxygen-containing groups as active sites. The sample treated at 900 °C with KOH/CNTs mass ratio of 3:1 (CNTs-3) exhibits the highest electrocatalytic activity for VO{sup 2+}/VO{sub 2}{sup +} redox reaction. The cell using CNTs-3 as positive catalyst demonstrates the smallest electrochemical polarization, the highest capacity and efficiency among the samples. Using KOH-activated CNTs-3 can increase the average energy efficiency of the cell by 4.4%. This work suggests that KOH-activated CNTs is a low-cost, efficient and promising catalyst for VO{sup 2+}/VO{sub 2}{sup +} redox reaction for VRFB system.

Effect of free-particle collisions in high energy proton and pion-induced nuclear reactions

International Nuclear Information System (INIS)

Jacob, N.P. Jr.

1975-07-01

The effect of free-particle collisions in simple ''knockout'' reactions of the form (a,aN) and in more complex nuclear reactions of the form (a,X) was investigated by using protons and pions. Cross sections for the 48 Ti(p,2p) 47 Sc and the 74 Ge(p,2p) 73 Ga reactions were measured from 0.3 to 4.6 GeV incident energy. The results indicate a rise in (p,2p) cross section for each reaction of about (25 +- 3) percent between the energies 0.3 and 1.0 GeV, and are correlated to a large increase in the total free-particle pp scattering cross sections over the same energy region. Results are compared to previous (p,2p) excitation functions in the GeV energy region and to (p,2p) cross section calculations based on a Monte Carlo intranuclear cascade-evaporation model. Cross section measurements for (π/sup +-/, πN) and other more complex pion-induced spallation reactions were measured for the light target nuclei 14 N, 16 O, and 19 F from 45 to 550 MeV incident pion energy. These measurements indicate a broad peak in the excitation functions for both (π,πN) and (π,X) reactions near 180 MeV incident energy. This corresponds to the large resonances observed in the free-particle π + p and π - p cross sections at the same energy. Striking differences in (π,πN) cross section magnitudes are observed among the light nuclei targets. The experimental cross section ratio sigma(π - ,π - n)/sigma(π + ,πN) at 180 MeV is 1.7 +- 0.2 for all three targets. The experimental results are compared to previous pion and analogous proton-induced reactions, to Monte Carlo intranuclear cascade-evaporation calculations, and to a semi-classical nucleon charge exchange model. (108 references) (auth)

Reaction rate of propene pyrolysis.

Science.gov (United States)

Han, Peipei; Su, Kehe; Liu, Yan; Wang, Yanli; Wang, Xin; Zeng, Qingfeng; Cheng, Laifei; Zhang, Litong

2011-10-01

The reaction rate of propene pyrolysis was investigated based on the elementary reactions proposed in Qu et al., J Comput Chem 2009, 31, 1421. The overall reaction rate was developed with the steady-state approximation and the rate constants of the elementary reactions were determined with the variational transition state theory. For the elementary reaction having transition state, the vibrational frequencies of the selected points along the minimum energy path were calculated with density functional theory at B3PW91/6-311G(d,p) level and the energies were improved with the accurate model chemistry method G3(MP2). For the elementary reaction without transition state, the frequencies were calculated with CASSCF/6-311G(d,p) and the energies were refined with the multireference configuration interaction method MRCISD/6-311G(d,p). The rate constants were evaluated within 200-2000 K and the fitted three-parameter expressions were obtained. The results are consistent with those in the literatures in most cases. For the overall rate, it was found that the logarithm of the rate and the reciprocal temperature have excellent linear relationship above 400 K, predicting that the rate follows a typical first-order law at high temperatures of 800-2000 K, which is also consistent with the experiments. The apparent activation energy in 800-2000 K is 317.3 kJ/mol from the potential energy surface of zero Kelvin. This value is comparable with the energy barriers, 365.4 and 403.7 kJ/mol, of the rate control steps. However, the apparent activation energy, 215.7 kJ/mol, developed with the Gibbs free energy surface at 1200 K is consistent with the most recent experimental result 201.9 ± 0.6 kJ/mol. Copyright © 2011 Wiley Periodicals, Inc.

Solid-state reactions to synthesize nanostructured lead selenide semiconductor powders by high-energy milling

Energy Technology Data Exchange (ETDEWEB)

Rojas-Chavez, H., E-mail: uu_gg_oo@yahoo.com.mx [Centro de Investigacion e Innovacion Tecnologica - IPN, Cerrada de CECATI s/n, Col. Santa Catarina, Del. Azcapotzalco (Mexico) and Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada - IPN, Legaria 694, Col. Irrigacion, Del. Miguel Hidalgo (Mexico); Reyes-Carmona, F. [Facultad de Quimica - UNAM, Circuito de la Investigacion Cientifica s/n, C.U. Del. Coyoacan (Mexico); Jaramillo-Vigueras, D. [Centro de Investigacion e Innovacion Tecnologica - IPN, Cerrada de CECATI s/n, Col. Santa Catarina, Del. Azcapotzalco (Mexico)

2011-10-15

Highlights: {yields} PbSe synthesized from PbO instead of Pb powder do not require an inert atmosphere. {yields} During high-energy milling oxygen has to be chemically reduced from the lead oxide. {yields} Solid-state and solid-gas chemical reactions promote both solid and gaseous products. -- Abstract: Both solid-solid and gas-solid reactions have been traced during high-energy milling of Se and PbO powders under vial (P, T) conditions in order to synthesize the PbSe phase. Chemical and thermodynamic arguments are postulated to discern the high-energy milling mechanism to transform PbO-Se micropowders onto PbSe-nanocrystals. A set of reactions were evaluated at around room temperature. Therefore an experimental campaign was designed to test the nature of reactions in the PbO-Se system during high-energy milling.

Solid-state reactions to synthesize nanostructured lead selenide semiconductor powders by high-energy milling

International Nuclear Information System (INIS)

Rojas-Chavez, H.; Reyes-Carmona, F.; Jaramillo-Vigueras, D.

2011-01-01

Highlights: → PbSe synthesized from PbO instead of Pb powder do not require an inert atmosphere. → During high-energy milling oxygen has to be chemically reduced from the lead oxide. → Solid-state and solid-gas chemical reactions promote both solid and gaseous products. -- Abstract: Both solid-solid and gas-solid reactions have been traced during high-energy milling of Se and PbO powders under vial (P, T) conditions in order to synthesize the PbSe phase. Chemical and thermodynamic arguments are postulated to discern the high-energy milling mechanism to transform PbO-Se micropowders onto PbSe-nanocrystals. A set of reactions were evaluated at around room temperature. Therefore an experimental campaign was designed to test the nature of reactions in the PbO-Se system during high-energy milling.

Science Activities in Energy: Electrical Energy.

Science.gov (United States)

Oak Ridge Associated Universities, TN.

Presented is a science activities in energy package which includes 16 activities relating to electrical energy. Activities are simple, concrete experiments for fourth, fifth and sixth grades which illustrate principles and problems relating to energy. Each activity is outlined in a single card which is introduced by a question. A teacher's…

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

Analysis of the proton-induced reactions at 150 MeV - 24 GeV by high energy nuclear reaction code JAM

International Nuclear Information System (INIS)

Niita, Koji; Nara, Yasushi; Takada, Hiroshi; Nakashima, Hiroshi; Chiba, Satoshi; Ikeda, Yujiro

1999-09-01

We are developing a nucleon-meson transport code NMTC/JAM, which is an upgraded version of NMTC/JAERI. NMTC/JAM implements the high energy nuclear reaction code JAM for the infra-nuclear cascade part. By using JAM, the upper limits of the incident energies in NMTC/JAERI, 3.5 GeV for nucleons and 2.5 GeV for mesons, are increased drastically up to several hundreds GeV. We have modified the original JAM code in order to estimate the residual nucleus and its excitation energy for nucleon or pion induced reactions by assuming a simple model for target nucleus. As a result, we have succeeded in lowering the applicable energies of JAM down to about 150 MeV. In this report, we describe the main components of JAM code, which should be implemented in NMTC/JAM, and compare the results calculated by JAM code with the experimental data and with those by LAHET2.7 code for proton induced reactions from 150 MeV to several 10 GeV. It has been found that the results of JAM can reproduce quite well the experimental double differential cross sections of neutrons and pions emitted from the proton induced reactions from 150 MeV to several 10 GeV. On the other hand, the results of LAHET2.7 show the strange behavior of the angular distribution of nucleons and pions from the reactions above 4 GeV. (author)

The (3He,t) and (d,2He)reactions at intermediate energies

International Nuclear Information System (INIS)

Brockstedt, A.

1987-09-01

The ( 3 He,t) reaction has been studied at 0.6-2.3 GeV at small scattering angles, 0-7 degrees, on various nuclei ( 12 C, 13 C, 26 Mg, 40 Ca, 48 Ca, 54 Fe, 90 Zr, 159 Tb, 208 Pb) including a proton target. The reaction is a single-step reaction and selects the spin-isospin channel. Angular distributions for low-lying states in 12 N are well described by DWIA calculations. From 13 C to 13 N transitions the ratio J στ /J τ , at momentum transfer, q, close to zero, is derived. The ratio remains roughly constant in the region 300 - 700 MeV/nucleon. The position of the quasi-free peak is shifted compared with free nucleon-nucleon scattering. The shift is towards higher excitation energies at q approx 1.4 fm -1 , and towards lower excitation energies at q approx 2.5 fm -1 . The p( 3 He,t)Δ ++ reaction is analysed as one-pion exchange and the ( 3 He,t) form factor is extracted. The shape and position of the Δ resonance seem to be independent of target mass for the targets studied. Compared with the p to Δ ++ transition the position is shifted towards lower excitation energy in nuclei. The (d,2p[ 1 S 0 ]) reaction, with the two protons in an 1 S 0 state labelled 2 He, is studied at 0.65 and 2.0 GeV at small angles, 0-4 degrees, on some of the targets used in the ( 3 He,t) experiment (p, 12 C, 40 Ca, 54 Fe). This reaction is also a one-step reaction that can be used for studies of spin-isospin excitations. Cross sections and tensor analysing powers are determined for the p(d, 2 He)n reaction. These results are compared with PWIA calculations. The Δ resonance in carbon is also here shifted down in excitation energy compared with the proton target. (author)

A new study of {sup 10}B(p,α){sup 7}Be reaction at low energies

Energy Technology Data Exchange (ETDEWEB)

Caciolli, A.; Depalo, R. [Universita di Padova, Dipartimento di Fisica e Astronomia, Padova (Italy); INFN, Sezione di Padova, Padova (Italy); Broggini, C.; Menegazzo, R. [INFN, Sezione di Padova, Padova (Italy); La Cognata, M.; Puglia, S.M.R.; Sergi, M.L. [Laboratori Nazionali del Sud, INFN, Catania (Italy); Lamia, L. [Universita degli Studi di Catania, Dipartimento di Fisica e Astronomia, Catania (Italy); Mou, L.; Rigato, V.; Rossi Alvarez, C. [Laboratori Nazionali di Legnaro, INFN, Legnaro (Italy); Romano, S.; Spitaleri, C. [Laboratori Nazionali del Sud, INFN, Catania (Italy); Universita degli Studi di Catania, Dipartimento di Fisica e Astronomia, Catania (Italy); Tumino, A. [Laboratori Nazionali del Sud, INFN, Catania (Italy); Universita degli Studi di Enna ' ' Kore' ' , Facolta di Ingegneria e Architettura, Enna (Italy)

2016-05-15

The {sup 10}B(p,α){sup 7}Be reaction is of great interest since it has many applications in different fields of research such as nuclear astrophysics, nuclear physics, and models of new reactors for clean energy generation. This reaction has been studied at the AN2000 accelerator of the INFN National Laboratories of Legnaro (LNL). The total cross section has been measured in a wide energy range (250-1182 keV) by using the activation method. The decays of the {sup 7}Be nuclei produced by the reaction were measured at the low counting facility of LNL by using two fully shielded high-purity germanium detectors. The present dataset shows a large discrepancy with respect to one of the previous data at the same energies and reduces the total uncertainty to the level of 6%. An R-matrix calculation has been performed on the present data using the parameters from previous Trojan Horse measurements for the 10 and 500 keV resonances. The present data do not lay on the R-matrix fit in one point suggesting the existence of a {sup 11}C level not observed yet. Further nuclear investigations are needed to confirm this hypothesis. (orig.)

Effects of reagent translational and vibrational energy on the dynamics of endothermic reactions

Energy Technology Data Exchange (ETDEWEB)

Krajnovich, D.; Zhang, Z.; Huisken, F.; Shen, Y.R.; Lee, Y.T.

1981-07-01

The endothermic reactions Br + CH/sub 3/I ..-->.. CH/sub 3/ + IBr (..delta..H/sub 0//sup 0/ = 13 kcal/mole) and Br + CF/sub 3/I ..-->.. CF/sub 3/ + IBr (..delta..H/sub 0//sup 0/ = 11 kcal/mole) have been studied by the crossed molecular beams method. Detailed center-of-mass contour maps of the IBr product flux as a function of recoil velocity and scattering angle are derived. For both systems it is found that the IBr product is sharply backward scattered with respect to the incident Br dirction, and that most of the available energy goes into product translation. Vibrational enhancement of the Br + CF/sub 3/I reaction was investigated by using the infrared multiphoton absorption process to prepare highly vibrationally excited CF/sub 3/I. At a collision energy of 31 kcal/mole (several times the barrier height), reagent vibrational energy appears to be less effective than an equivalent amount of (additional) translational energy in promoting reaction. More forward scattered IBr is produced in reactions of Br with vibrationally hot CF/sub 3/I.

Effects of reagent translational and vibrational energy on the dynamics of endothermic reactions

International Nuclear Information System (INIS)

Krajnovich, D.; Zhang, Z.; Huisken, F.; Shen, Y.R.; Lee, Y.T.

1981-07-01

The endothermic reactions Br + CH 3 I → CH 3 + IBr (ΔH 0 0 = 13 kcal/mole) and Br + CF 3 I → CF 3 + IBr (ΔH 0 0 = 11 kcal/mole) have been studied by the crossed molecular beams method. Detailed center-of-mass contour maps of the IBr product flux as a function of recoil velocity and scattering angle are derived. For both systems it is found that the IBr product is sharply backward scattered with respect to the incident Br dirction, and that most of the available energy goes into product translation. Vibrational enhancement of the Br + CF 3 I reaction was investigated by using the infrared multiphoton absorption process to prepare highly vibrationally excited CF 3 I. At a collision energy of 31 kcal/mole (several times the barrier height), reagent vibrational energy appears to be less effective than an equivalent amount of (additional) translational energy in promoting reaction. More forward scattered IBr is produced in reactions of Br with vibrationally hot CF 3 I

Cross-section studies of relativistic deuteron reactions obtained by activation method

CERN Document Server

Wagner, V; Svoboda, O; Vrzalová, J; Majerle, M; Krása, A; Chudoba, P; Honusek, M; Kugler, A; Adam, J; Baldin, A; Furman, W; Kadykov, M; Khushvaktov, J; Sol-nyskhin, A; Tsoupko-Sitnikov, V; Závorka, L; Tyutyunnikov, S; Vladimirova, N

2014-01-01

The cross-sections of relativistic deuteron reactions on natural copper were studied in detail by means of activation method. The copper foils were irradiated during experiments with the big Quinta uranium target at Joint Institute for Nuclear Research (JINR) in Dubna, Russia. The deuteron beams with energies ranging from 1 GeV up to 8 GeV were produced by JINR Nuclotron. Residual nuclides were identified by the gamma spectrometry. Lack of such experimental cross-section values prevents the usage of copper foils from beam integral monitoring.

Probing the nuclear symmetry energy at high densities with nuclear reactions

Science.gov (United States)

Leifels, Y.

2017-11-01

The nuclear equation of state is a topic of highest current interest in nuclear structure and reactions as well as in astrophysics. The symmetry energy is the part of the equation of state which is connected to the asymmetry in the neutron/proton content. During recent years a multitude of experimental and theoretical efforts on different fields have been undertaken to constraint its density dependence at low densities but also above saturation density (ρ_0=0.16 fm ^{-3} . Conventionally the symmetry energy is described by its magnitude S_v and the slope parameter L , both at saturation density. Values of L = 44 -66MeV and S_v=31 -33MeV have been deduced in recent compilations of nuclear structure, heavy-ion reaction and astrophysics data. Apart from astrophysical data on mass and radii of neutron stars, heavy-ion reactions at incident energies of several 100MeV are the only means do access the high density behaviour of the symmetry energy. In particular, meson production and collective flows upto about 1 AGeV are predicted to be sensitive to the slope of the symmetry energy as a function of density. From the measurement of elliptic flow of neutrons with respect to charged particles at GSI, a more stringent constraint for the slope of the symmetry energy at supra-saturation densities has been deduced. Future options to reach even higher densities will be discussed.

Reaction mechanism and nuclear correlations study by low energy pion double charge exchange

International Nuclear Information System (INIS)

Weinfeld, Z.

1993-06-01

In pion double-charge-exchange (DCX) reactions, a positive (negative) pion is incident on a nucleus and a negative (positive) pion emerges. These reactions are of fundamental interest since the process must involve at least two nucleons in order to conserve charge. Although two nucleon processes are present in many reactions they are usually masked by the dominant single nucleon processes. DCX is unique in that respect since it is a two nucleon process in lowest order and thus may be sensitive to two-nucleon correlations. Measurements of low energy pion double-charge-exchange reactions to the double-isobaric-analog-state (DIAS) and ground-state (GS) of the residual nucleus provide new means for studying nucleon-nucleon correlations in nuclei. At low energies (T π 7/2 shell at energies ranging from 25 to 65 MeV. Cross sections were measured on 42,44,48 Ca, 46,50 Ti and 54 Fe. The calcium isotopes make a good set of nuclei on which to study the effects of correlations in DCX reactions

New Mechanism of Low Energy Nuclear Reactions Using Superlow

Science.gov (United States)

Gareev, F. A.; Zhidkova, I. E.

2006-03-01

We proposed a new mechanism of LENR (low energy nuclear reactions) cooperative processes in the whole system - nuclei+atoms+condensed matter can occur at smaller threshold than the corresponding ones assoiciated with free constituents. The cooperative processes can be induced and enhanced by (``superlow energy'') external fields. The excess heat is the emission of internal energy, and transmutations from LENR are the result of redistribution of the internal energy of the whole system. A review of possible stimulation mechanisms of LENR is presented. We have concluded that transmutation of nuclei at low energies and excess heat are possible in the framework of the known fundamental physical laws: The universal resonance synchronization principle, and based on it, different enhancement mechanisms of reaction rates are responsible for these processes. The excitation and ionization of atoms may play the role of a trigger for LENR. F.A. Gareev, I.E. Zhidkova, E-print arXiv Nucl-th/0511092 v1 30 Nov 2005. F.A. Gareev, In: FPB-98, Novosibirsk, June 1998, p.92; F.A.Gareev, G.F. Gareeva, in: Novosibirsk, July 2000, p.161. F.A. Gareev, I.E. Zhidkova and Yu.L. Ratis, Preprint JINR P4-2004-68, Dubna, 2004. F.A. Gareev, I.E. Zhidkova, E-print arXiv Nucl-th/0505021 9 May 2005.

Definition and determination of the triplet-triplet energy transfer reaction coordinate.

Science.gov (United States)

Zapata, Felipe; Marazzi, Marco; Castaño, Obis; Acuña, A Ulises; Frutos, Luis Manuel

2014-01-21

A definition of the triplet-triplet energy transfer reaction coordinate within the very weak electronic coupling limit is proposed, and a novel theoretical formalism is developed for its quantitative determination in terms of internal coordinates The present formalism permits (i) the separation of donor and acceptor contributions to the reaction coordinate, (ii) the identification of the intrinsic role of donor and acceptor in the triplet energy transfer process, and (iii) the quantification of the effect of every internal coordinate on the transfer process. This formalism is general and can be applied to classical as well as to nonvertical triplet energy transfer processes. The utility of the novel formalism is demonstrated here by its application to the paradigm of nonvertical triplet-triplet energy transfer involving cis-stilbene as acceptor molecule. In this way the effect of each internal molecular coordinate in promoting the transfer rate, from triplet donors in the low and high-energy limit, could be analyzed in detail.

Excitation functions of proton induced reactions on {sup nat}Fe in the energy region up to 45 MeV

Energy Technology Data Exchange (ETDEWEB)

Kim, Kwangsoo [Department of Physics, Kyungpook National University, Daegu 702-701 (Korea, Republic of); Khandaker, Mayeen Uddin [Department of Physics, Kyungpook National University, Daegu 702-701 (Korea, Republic of); Department of Physics, University of Malaya, 50603 Kuala Lumpur (Malaysia); Naik, Haladhara [Department of Physics, Kyungpook National University, Daegu 702-701 (Korea, Republic of); Radiochemistry Division, Bhabha Atomic Research Center, Trombay, Mumbai 400085 (India); Kim, Guinyun, E-mail: gnkim@knu.ac.kr [Department of Physics, Kyungpook National University, Daegu 702-701 (Korea, Republic of)

2014-03-01

The excitation functions of various reaction products such as {sup 55,56,57}Co, {sup 52}Fe, {sup 52,54}Mn, and {sup 51}Cr in the {sup nat}Fe(p, x) reactions were measured by the stacked-foil activation technique in the energy range between their respective reaction threshold and 45 MeV at the MC-50 cyclotron of the Korean Institute of Radiological and Medical Sciences, Korea. The present experimental data were compared with the existing literature data. It was found that excitation function of {sup 56,57}Co and {sup 51}Cr from the {sup nat}Fe(p, x) reaction are in agreement with the literature data. However, the cross-sections for {sup nat}Fe(p, x){sup 52}Fe reactions are lower and those for {sup nat}Fe(p, x){sup 52}Mn and {sup nat}Fe(p, x){sup 54}Mn reactions are higher than the literature data. The reaction cross-sections of the above mentioned reaction products were also compared with those from the TENDL-2012 library based on the TALYS-1.4 program as a function of proton energy, which was reproduced the trend of the excitation functions of the experimental {sup nat}Fe(p, x) reaction cross-section. The integral yields for thick target of the investigated radionuclides were calculated from the excitation function.

Outline of cold nuclear fusion reaction

International Nuclear Information System (INIS)

Tachikawa, Enzo

1991-01-01

In 2010, as the total supply capacity of primary energy, 666 million liter is anticipated under the measures of thorough energy conservation. The development of energy sources along the energy policy based on environment preservation, safety, the quantity of resources and economy is strongly demanded. The nuclear power generation utilizing nuclear fission has been successfully carried out. As the third means of energy production, the basic research and technical development have been actively advanced on the energy production utilizing nuclear fusion reaction. The main object of the nuclear fusion research being advanced now is D-D reaction and D-T reaction. In order to realize low temperature nuclear fusion reaction, muon nuclear fusion has been studied so far. The cold nuclear fusion reaction by the electrolysis of heavy water has been reported in 1989, and its outline is ixplained in this report. The trend of the research on cold nuclear fusion is described. But the possibility of cold nuclear fusion as an energy source is almost denied. (K.I.)

Effect of compound nuclear reaction mechanism in 12C(6Li,d) reaction at sub-Coulomb energy

Science.gov (United States)

Mondal, Ashok; Adhikari, S.; Basu, C.

2017-09-01

The angular distribution of the 12C(6Li,d) reaction populating the 6.92 and 7.12 MeV states of 16O at sub-Coulomb energy (Ecm=3 MeV) are analysed in the framework of the Distorted Wave Born Approximation (DWBA). Recent results on excitation function measurements and backward angle angular distributions derive ANC for both the states on the basis of an alpha transfer mechanism. In the present work, we show that considering both forward and backward angle data in the analysis, the 7.12 MeV state at sub-Coulomb energy is populated from Compound nuclear process rather than transfer process. The 6.92 MeV state is however produced from direct reaction mechanism.

Probing nuclei with high-energy hadronic reactions

International Nuclear Information System (INIS)

Moss, J.M.

1995-01-01

I review the subject of hadron-nucleus collisions at energies where peturbative theory is applicable. Reactions studied experimentally at the Fermilab Tevatron and CERN's Super Proton Synchrotron include the Drell-Yan Process, direct photon production, quarkonium production, and open charm production. I conclude with an observation about a new era of proton-nucleus and nucleus-nucleus experiments which will be carried out at the hadron colliders, RHIC and LHC

Collisions of polyatomic ions with surfaces: incident energy partitioning and chemical reactions

International Nuclear Information System (INIS)

Zabka, J.; Roithova, J.; Dolejsek, Z.; Herman, Z.

2002-01-01

Collision of polyatomic ions with surfaces were investigated in ion-surface scattering experiments to obtain more information on energy partitioning in ion-surface collision and on chemical reactions at surfaces. Mass spectra, translation energy and angular distributions of product ions were measured in dependence on the incident energy and the incident angle of polyatomic projectiles. From these data distributions of energy fractions resulting in internal excitation of the projectile, translation energy of the product ions, and energy absorbed by the surface were determined. The surface investigated were a standard stainless steel surface, covered by hydrocarbons, carbon surfaces at room and elevated temperatures, and several surfaces covered by a self-assembled monolayers (C 12 -hydrocarbon SAM, C 11 -perfluorohydrocarbon SAM, and C 11 hydrocarbon with terminal -COOH group SAM). The main processes observed at collision energies of 10 - 50 eV were: neutralization of the ions at surfaces, inelastic scattering and dissociations of the projectile ions, quasi elastic scattering of the projectile ions, and chemical reactions with the surface material (usually hydrogen-atom transfer reactions). The ion survival factor was estimated to be a few percent for even-electron ions (like protonated ethanol ion, C 2 H 5 O + , CD 5 + ) and about 10 - 10 2 times lower for radical ions (like ethanol and benzene molecular ions, CD 4 + ). In the polyatomic ion -surface energy transfer experiments, the ethanol molecular ion was used as a well-characterized projectile ion. The results with most of the surfaces studied showed in the collision energy range of 13 - 32 eV that most collisions were strongly inelastic with about 6 - 8 % of the incident projectile energy transformed into internal excitation of the projectile (independent of the incident angle) and led partially to its further dissociation in a unimolecular way after the interaction with the surface. The incident energy

Recoil properties of radionuclides formed in photospallation reactions on complex nuclei at intermediate energies

International Nuclear Information System (INIS)

Haba, Hiromitsu; Oura, Yasuji; Shibata, Seiichi; Furukawa, Michiaki; Fujiwara, Ichiro

2001-01-01

A short review is given on our studies of recoil properties of radionuclides formed in photospallation reactions induced by bremsstrahlung of end-point energies (E 0 ) from 600 to 1100 MeV, in which the thick-target thick-catcher method was employed. The measurements have been successful on 14, 24, 26, 31, 21 and 20 nuclides from nat V, nat Cu, 93 Nb, nat Ag, nat Ta, and 197 Au, respectively. Reflecting the resonance character in a photonuclear reaction, the mean ranges FW and BW in the forward and backward directions, respectively, are E 0 -independent at the studied energies and classified into two groups accounting for the (γ, xn) (x ≥ 1) and (γ, xnyp) (x, y ≥ 1) processes. The forward-to-backward ratios (F/B) are independent of the mass difference (ΔA) between a product (A p ) and a target (A t ) and also of A t . The kinematic properties of the product nuclei were analyzed by the two-step vector velocity model. The forward velocity ν after the first step of photon-reaction is quite different from that of proton-reaction at proton energies of E p ≤ 3 GeV, though the difference disappears at higher energies. On the other hand, the mean kinetic energy T of the residual nucleus in the second step is almost equal to that of proton-reaction irrespective of E p . A comparison with T values calculated by the PICA (Photon-Induced Intranuclear Cascade Analysis) code at E 0 =400 MeV was also performed. It was found that although the code well reproduces the experimental results of nat V and nat Cu, the same calculation for heavier targets gives T values lower than the experimental results, indicating some nuclear-structure effect, such as a medium effect notably at A t ≥ 100. An average kinetic energy carried off by the emitted particles ε s =T/(ΔA/A t ) of both photon- and proton-reactions seem to increase with an increase of A t up to around A t =100, and become almost constant at larger A t , implying some change in the nuclear structure effect in this

Kinetics of transuranium element oxidation-reduction reactions in solution; Cinetique des reactions d'oxydo-reduction des elements transuraniens en solution

Energy Technology Data Exchange (ETDEWEB)

Gourisse, D. [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

1966-09-01

A review of the kinetics of U, Np, Pu, Am oxidation-reduction reactions is proposed. The relations between the different activation thermodynamic functions (compensatory effect, formal entropy of the activated complex, magnitude of reactions velocities) are considered. The effects of acidity, ionic strength deuterium and mixed solvents polarity on reactions rates are described. The effect of different anions on reactions rates are explained by variations of the reaction standard free energy and variations of the activation free energy (coulombic interactions) resulting from the complexation of dissolved species by these anions. (author) [French] Une revue systematique de la cinetique des reactions d'oxydo-reduction des elements U, Np, Pu, Am, en solution perchlorique est proposee. Des considerations relatives aux grandeurs thermodynamiques d'activation associees aux actes elementaires (effet de compensation, entropie standard des complexes actives, rapidite des reactions) sont developpees. L'influence de l'acidite, de la force ionique, de l'eau lourde et de la polarite des solvants mixtes sur la vitesse des reactions est decrite. Enfin l'influence des differents anions sur la vitesse des reactions est expliquee par les variations de l'enthalpie libre standard de la reaction et de l'enthalpie libre d'activation (travail des forces electrostatiques) resultant de la complexation des especes dissoutes dans la solution. (auteur)

6,7Li + 28Si total reaction cross sections at near barrier energies

International Nuclear Information System (INIS)

Pakou, A.; Musumarra, A.; Pierroutsakou, D.; Alamanos, N.; Assimakopoulos, P.A.; Divis, N.; Doukelis, G.; Gillibert, A.; Harissopulos, S.; Kalyva, G.; Kokkoris, M.; Lagoyannis, A.; Mertzimekis, T.J.; Nicolis, N.G.; Papachristodoulou, C.; Perdikakis, G.; Roubos, D.; Rusek, K.; Spyrou, S.; Zarkadas, Ch.

2007-01-01

Total reaction cross section measurements for the 6,7 Li + 28 Si systems have been performed at near-barrier energies. The results indicate that, with respect to the potential anomaly at barrier, 6 Li and 7 Li on light targets exhibit similar energy dependence on the imaginary potential. Comparisons are made with 6,7 Li cross sections on light and heavy targets, extracted via previous elastic scattering measurements and also with CDCC calculations. Energy dependent parametrisations are also obtained for total reaction cross sections of 6,7 Li on Si, as well as on any target, at near barrier energies

Reaction Mechanisms on Multiwell Potential Energy Surfaces in Combustion (and Atmospheric) Chemistry

International Nuclear Information System (INIS)

Osborn, David L.

2017-01-01

Chemical reactions occurring on a potential energy surface with multiple wells are ubiquitous in low temperature combustion and the oxidation of volatile organic compounds in earth’s atmosphere. The rich variety of structural isomerizations that compete with collisional stabilization make characterizing such complex-forming reactions challenging. This review describes recent experimental and theoretical advances that deliver increasingly complete views of their reaction mechanisms. New methods for creating reactive intermediates coupled with multiplexed measurements provide many experimental observables simultaneously. Automated methods to explore potential energy surfaces can uncover hidden reactive pathways, while master equation methods enable a holistic treatment of both sequential and well-skipping pathways. Our ability to probe and understand nonequilibrium effects and reaction sequences is increasing. These advances provide the fundamental science base for predictive models of combustion and the atmosphere that are crucial to address global challenges.

Reaction Mechanisms on Multiwell Potential Energy Surfaces in Combustion (and Atmospheric) Chemistry

Science.gov (United States)

Osborn, David L.

2017-05-01

Chemical reactions occurring on a potential energy surface with multiple wells are ubiquitous in low-temperature combustion and in the oxidation of volatile organic compounds in Earth's atmosphere. The rich variety of structural isomerizations that compete with collisional stabilization makes characterizing such complex-forming reactions challenging. This review describes recent experimental and theoretical advances that deliver increasingly complete views of their reaction mechanisms. New methods for creating reactive intermediates coupled with multiplexed measurements provide many experimental observables simultaneously. Automated methods to explore potential energy surfaces can uncover hidden reactive pathways, and master equation methods enable a holistic treatment of both sequential and well-skipping pathways. Our ability to probe and understand nonequilibrium effects and reaction sequences is increasing. These advances provide the fundamental science base for predictive models of combustion and the atmosphere that are crucial to address global challenges.

Mechanically activated SHS reaction in the Fe-Al system: in-situ time resolved diffraction using synchrotron radiation

International Nuclear Information System (INIS)

Gaffet, E.; Charlot, F.; Klein, D.; Bernard, F.; Niepce, J.C.

1998-01-01

The mechanical activation self propagating high temperature synthesis (M.A.S.H.S.) processing is a new way to produce nanocrystalline iron aluminide intermetallic compounds. This process is maily the combination of two steps; in the one hand, a mechanical activation where the Fe - Al powder mixture was milled during a short time at given energy and frequency of shocks and in the other hand, a self propagating high temperature synthesis (S.H.S.) reaction, for which the exothermicity of the Fe + Al reaction is used. This fast propagated MASHS reaction has been in-situ investigated using the time resolved X-ray diffraction (TRXRD) using a X-ray synchrotron beam and an infrared thermography camera, allowing the coupling of the materials structure and the temperature field. The effects of the initial mean compositions, of the milling conditions as well as of the compaction parameters on the MASHS reaction are reported. (orig.)

Effect of Heterogeneous Chemical Reactions on the Köhler Activation of Aqueous Organic Aerosols.

Science.gov (United States)

Djikaev, Yuri S; Ruckenstein, Eli

2018-05-03

We study some thermodynamic aspects of the activation of aqueous organic aerosols into cloud droplets considering the aerosols to consist of liquid solution of water and hydrophilic and hydrophobic organic compounds, taking into account the presence of reactive species in the air. The hydrophobic (surfactant) organic molecules on the surface of such an aerosol can be processed by chemical reactions with some atmospheric species; this affects the hygroscopicity of the aerosol and hence its ability to become a cloud droplet either via nucleation or via Köhler activation. The most probable pathway of such processing involves atmospheric hydroxyl radicals that abstract hydrogen atoms from hydrophobic organic molecules located on the aerosol surface (first step), the resulting radicals being quickly oxidized by ubiquitous atmospheric oxygen molecules to produce surface-bound peroxyl radicals (second step). These two reactions play a crucial role in the enhancement of the Köhler activation of the aerosol and its evolution into a cloud droplet. Taking them and a third reaction (next in the multistep chain of relevant heterogeneous reactions) into account, one can derive an explicit expression for the free energy of formation of a four-component aqueous droplet on a ternary aqueous organic aerosol as a function of four independent variables of state of a droplet. The results of numerical calculations suggest that the formation of cloud droplets on such (aqueous hydrophilic/hydrophobic organic) aerosols is most likely to occur as a Köhler activation-like process rather than via nucleation. The model allows one to determine the threshold parameters of the system necessary for the Köhler activation of such aerosols, which are predicted to be very sensitive to the equilibrium constant of the chain of three heterogeneous reactions involved in the chemical aging of aerosols.

Structuring Pd Nanoparticles on 2H-WS2 Nanosheets Induces Excellent Photocatalytic Activity for Cross-Coupling Reactions under Visible Light.

Science.gov (United States)

Raza, Faizan; Yim, DaBin; Park, Jung Hyun; Kim, Hye-In; Jeon, Su-Ji; Kim, Jong-Ho

2017-10-18

Effective photocatalysts and their surface engineering are essential for the efficient conversion of solar energy into chemical energy in photocatalyzed organic transformations. Herein, we report an effective approach for structuring Pd nanoparticles (NPs) on exfoliated 2H-WS 2 nanosheets (WS 2 /PdNPs), resulting in hybrids with extraordinary photocatalytic activity in Suzuki reactions under visible light. Pd NPs of different sizes and densities, which can modulate the photocatalytic activity of the as-prepared WS 2 /PdNPs, were effectively structured on the basal plane of 2H-WS 2 nanosheets via a sonic wave-assisted nucleation method without any reductants at room temperature. As the size of Pd NPs on WS 2 /PdNPs increased, their photocatalytic activity in Suzuki reactions at room temperature increased substantially. In addition, it was found that protic organic solvents play a crucial role in activating WS 2 /PdNPs catalysts in photocatalyzed Suzuki reactions, although these solvents are generally considered much less effective than polar aprotic ones in the conventional Suzuki reactions promoted by heterogeneous Pd catalysts. A mechanistic investigation suggested that photogenerated holes are transferred to protic organic solvents, whereas photogenerated electrons are transferred to Pd NPs. This transfer makes the Pd NPs electron-rich and accelerates the rate-determining step, i.e., the oxidative addition of aryl halides under visible light. WS 2 /PdNPs showed the highest turnover frequency (1244 h -1 ) for photocatalyzed Suzuki reactions among previously reported photocatalysts.

Alpha-particle energy spectra measured at forward angles in heavy-ion-induced reactions

International Nuclear Information System (INIS)

Borcea, C.; Cierlic, E.; Kalpakchieva, R.; Oganessian, Yu.Ts.; Penionzhkevich, Yu.E.

1980-01-01

Energy spectra have been measured for α-particles emitted in the bombardment of 159 Tb, 181 Ta, 197 Au, and 232 Th nuclei by 20 Ne, 22 Ne, and 40 Ar projectiles. The reaction products emitted in the angular range (0+-2)deg relative to the beam direction were analyzed using a magnetic spectrometer and detected by means of a semiconductor ΔE-E telescope. It was found that in all cases the experimentally measured maximum α-particle energy almost amounts to the maximum possible value calculated from the reaction energy balance for a two-body exit channel. A correlation was found between the measured absolute cross section in different target-projectile combinations and the α-particle binding energy in the target nuclei. On the basis of the obtained results a conclusion has been drawn that the α-particles are emitted in the early stage of the reaction

A Gibbs Energy Minimization Approach for Modeling of Chemical Reactions in a Basic Oxygen Furnace

Science.gov (United States)

Kruskopf, Ari; Visuri, Ville-Valtteri

2017-12-01

In modern steelmaking, the decarburization of hot metal is converted into steel primarily in converter processes, such as the basic oxygen furnace. The objective of this work was to develop a new mathematical model for top blown steel converter, which accounts for the complex reaction equilibria in the impact zone, also known as the hot spot, as well as the associated mass and heat transport. An in-house computer code of the model has been developed in Matlab. The main assumption of the model is that all reactions take place in a specified reaction zone. The mass transfer between the reaction volume, bulk slag, and metal determine the reaction rates for the species. The thermodynamic equilibrium is calculated using the partitioning of Gibbs energy (PGE) method. The activity model for the liquid metal is the unified interaction parameter model and for the liquid slag the modified quasichemical model (MQM). The MQM was validated by calculating iso-activity lines for the liquid slag components. The PGE method together with the MQM was validated by calculating liquidus lines for solid components. The results were compared with measurements from literature. The full chemical reaction model was validated by comparing the metal and slag compositions to measurements from industrial scale converter. The predictions were found to be in good agreement with the measured values. Furthermore, the accuracy of the model was found to compare favorably with the models proposed in the literature. The real-time capability of the proposed model was confirmed in test calculations.

Measurement method of activation cross-sections of reactions producing short-lived nuclei with 14 MeV neutrons

CERN Document Server

Kawade, K; Kasugai, Y; Shibata, M; Iida, T; Takahashi, A; Fukahori, T

2003-01-01

We describe a method for obtaining reliable activation cross-sections in the neutron energy range between 13.4 and 14.9 MeV for the reactions producing short-lived nuclei with half-lives between 0.5 and 30 min. We noted neutron irradiation fields and measured induced activities, including (1) the contribution of scattered low-energy neutrons, (2) the fluctuation of the neutron fluence rate during the irradiation, (3) the true coincidence sum effect, (4) the random coincidence sum effect, (5) the deviation in the measuring position due to finite sample thickness, (6) the self-absorption of the gamma-ray in the sample material and (7) the interference reactions producing the same radionuclides or the ones emitting the gamma-ray with the same energy of interest. The cross-sections can be obtained within a total error of 3.6%, when good counting statistics are achieved, including an error of 3.0% for the standard cross-section of sup 2 sup 7 Al (n, alpha) sup 2 sup 4 Na. We propose here simple methods for measuri...

Use of a GDMS for high-energy reaction data

International Nuclear Information System (INIS)

Moorhead, W.G.

1978-01-01

At CERN, data on high-energy reactions is being compiled using a Generalized Data Management System. The GDMS is a stand-alone system designed for administrative and engineering applications. The Data Base at present contains about 20,000 cross-section values, each linked to a description of the corresponding reaction, and the publication from which the value was derived. The immediate objective is to produce the widely circulated Compilation Reports, and the standard Report Generator of the GDMS is being used for this. Direct retrieval is also possible

"JCE" Classroom Activity #111: Redox Reactions in Three Representations

Science.gov (United States)

Nieves, Edgardo L. Ortiz; Barreto, Reizelie; Medina, Zuleika

2012-01-01

This activity introduces students to the concept of reduction-oxidation (redox) reactions. To help students obtain a thorough understanding of redox reactions, the concept is explored at three levels: macroscopic, submicroscopic, and symbolic. In this activity, students perform hands-on investigations of the three levels as they work at different…

Extension of activation cross section data of deuteron induced nuclear reactions on rhodium up to 50 MeV

Energy Technology Data Exchange (ETDEWEB)

Hermanne, A. [Cyclotron Laboratory, Vrije Universiteit Brussel, Brussels (Belgium); Tárkányi, F.; Takács, S.; Ditrói, F. [Institute of Nuclear Research of the Hungarian Academy of Sciences, Debrecen (Hungary)

2015-11-01

In the frame of the systematical study of light ion induced nuclear reactions activation cross sections for deuteron induced reactions on monoisotopic {sup 103}Rh were extended to 50 MeV incident energy. Excitation functions were measured in the 49.8–36.6 MeV energy range for the {sup 103}Rh(d,xn){sup 100,101}Pd, {sup 103}Rh(d,pxn){sup 99m,99g,100,101m,101g,102m,102g}Rh and {sup 103}Rh(d,x){sup 97,103}Ru reactions by using the stacked foil irradiation technique and off-line high resolution γ-ray spectrometry. The experimental results are compared to our previous results and to the theoretical predictions in the TENDL-2014 library (TALYS 1.6 code).

Aligned carbon nanotube with electro-catalytic activity for oxygen reduction reaction

Science.gov (United States)

Liu, Di-Jia; Yang, Junbing; Wang, Xiaoping

2010-08-03

A catalyst for an electro-chemical oxygen reduction reaction (ORR) of a bundle of longitudinally aligned carbon nanotubes having a catalytically active transition metal incorporated longitudinally in said nanotubes. A method of making an electro-chemical catalyst for an oxygen reduction reaction (ORR) having a bundle of longitudinally aligned carbon nanotubes with a catalytically active transition metal incorporated throughout the nanotubes, where a substrate is in a first reaction zone, and a combination selected from one or more of a hydrocarbon and an organometallic compound containing an catalytically active transition metal and a nitrogen containing compound and an inert gas and a reducing gas is introduced into the first reaction zone which is maintained at a first reaction temperature for a time sufficient to vaporize material therein. The vaporized material is then introduced to a second reaction zone maintained at a second reaction temperature for a time sufficient to grow longitudinally aligned carbon nanotubes over the substrate with a catalytically active transition metal incorporated throughout the nanotubes.

Observation of the one- to six-neutron transfer reactions at sub-barrier energies

Energy Technology Data Exchange (ETDEWEB)

Jiang, C.L.; Rehm, K.E.; Gehring, J. [and others

1995-08-01

It was suggested many years ago that when two heavy nuclei are in contact during a grazing collision, the transfer of several correlated neutron-pairs could occur. Despite considerable experimental effort, however, so far only cross sections for up to four-neutron transfers have been uniquely identified. The main difficulties in the study of multi-neutron transfer reactions are the small cross sections encountered at incident energies close to the barrier, and various experimental uncertainties which can complicate the analysis of these reactions. We have for the first time found evidence for multi-neutron transfer reactions covering the full sequence from one- to six-neutron transfer reactions at sub-barrier energies in the system {sup 58}Ni + {sup 100}Mo.

Photon Energy Threshold in Direct Photocatalysis with Metal Nanoparticles: Key Evidence from the Action Spectrum of the Reaction.

Science.gov (United States)

Sarina, Sarina; Jaatinen, Esa; Xiao, Qi; Huang, Yi Ming; Christopher, Philip; Zhao, Jin Cai; Zhu, Huai Yong

2017-06-01

By investigating the action spectra (the relationship between the irradiation wavelength and apparent quantum efficiency of reactions under constant irradiance) of a number of reactions catalyzed by nanoparticles including plasmonic metals, nonplasmonic metals, and their alloys at near-ambient temperatures, we found that a photon energy threshold exists in each photocatalytic reaction; only photons with sufficient energy (e.g., higher than the energy level of the lowest unoccupied molecular orbitals) can initiate the reactions. This energy alignment (and the photon energy threshold) is determined by various factors, including the wavelength and intensity of irradiation, molecule structure, reaction temperature, and so forth. Hence, distinct action spectra were observed in the same type of reaction catalyzed by the same catalyst due to a different substituent group, a slightly changed reaction temperature. These results indicate that photon-electron excitations, instead of the photothermal effect, play a dominant role in direct photocatalysis of metal nanoparticles for many reactions.

Measurements of activation reaction rates in transverse shielding concrete exposed to the secondary particle field produced by intermediate energy heavy ions on an iron target

International Nuclear Information System (INIS)

Ogawa, T.; Morev, M.N.; Iimoto, T.; Kosako, T.

2012-01-01

Reaction rate distributions were measured inside a 60-cm thick concrete pile placed at the lateral position of a thick (stopping length) iron target that was bombarded with heavy ions, 400 MeV/u C and 800 MeV/u Si. Foils of aluminum and gold, as well as gold, tungsten and manganese covered with cadmium were inserted at various locations in the concrete pile to serve as activation detectors. Features of reaction rate distribution, such as the shape of the reaction rate profile, contribution of the neutrons from intra-nuclear cascade and that from evaporation to the activation reactions are determined by the analysis of measured reaction rates. The measured reaction rates were compared with those calculated with radiation transport simulation codes, FLUKA and PHITS, to verify their capability to predict induced activity. The simulated reaction rates agree with the experimental results within a factor of three in general. However, systematic discrepancies between simulated reaction rates and measured reaction rates attributed to the neutron source terms are observed.

Structure, activity, and stability of platinum alloys as catalysts for the oxygen reduction reaction

DEFF Research Database (Denmark)

Vej-Hansen, Ulrik Grønbjerg

In this thesis I present our work on theoretical modelling of platinum alloys as catalysts for the Oxygen Reduction Reaction (ORR). The losses associated with the kinetics of the ORR is the main bottleneck in low-temperature fuel cells for transport applications, and more active catalysts...... are essential for wide-spread use of this technology. platinum alloys have shown great promise as more active catalysts, which are still stable under reaction conditions. We have investigated these systems on multiple scales, using either Density Functional Theory (DFT) or Effective Medium Theory (EMT......), depending on the length and time scales involved. Using DFT, we show how diffusion barriers in transition metal alloys in the L12 structure depend on the alloying energy, supporting the assumption that an intrinsically more stable alloy is also more stable towards diffusion-related degradation...

Fusion reaction using low energy neutron-excess nucleus beam

International Nuclear Information System (INIS)

Fukuda, Tomokazu

1994-01-01

The present state and the plan of the experiment of measuring the fusion reaction near barriers by using neutron-excess nucleus beam, which has been advanced at RIKEN are reported. One of the purposes of this experiment is the feasibility investigation of the fusion reaction by using neutron-excess nuclei, which is indispensable for synthesizing superheavy elements. It is intended to systematically explore some enhancing mechanism in the neutron-excess nuclei which are unfavorable in beam intensity. This research can become the good means to prove the dynamic behavior of the neutrons on the surfaces of nuclei in reaction. The fusion reaction of 27 Al + Au was measured by using the stable nucleus beam of 27 Al, and the results are shown. In order to know the low energy fusion reaction of 11 Li and 11 Be which are typical halo nuclei, the identification by characteristic α ray of composite nuclei is carried out in 7,9,11 Li + 209 Bi and 9,10,11 Be + 208 Pb. A new detector having high performance, New MUSIC, is being developed. As the experiment by using this detector, the efficient measurement of the fusion reaction by using heavy neutron-excess nuclei up to Ni is considered. An example of 8 Li + α → 11 B + n reaction for celestial body physics is mentioned. (K.I.)

High-energy γ rays resulting from low-energy nuclear reactions in light nuclei

Science.gov (United States)

Rose, Paul B.; Erickson, Anna S.

2018-06-01

Products resulting from 3.02 MeV deuterons incident on a natural boron target have been investigated by way of γ -ray spectroscopy and activation analysis. This study uses observed γ rays and cascades to deduce the populated states from the reaction products. Die-away measurements are included to investigate the built-up activation from the target and compared with tabulated half-lives to further understand the plethora of reactions taking place. Many of the observed γ rays, such as 15.1 MeV, result from the formation of excited states of 12C, while others are secondary and tertiary processes from α breakup resulting in 8Be.

Photonucleon reactions in 40Ca at intermediate energies

International Nuclear Information System (INIS)

Adler, J.-O.; Bulow, B.; Jonsson, G.G.; Lindgren, K.

1976-01-01

The yields of the reactions 40 Ca(γ,n) 39 Ca* and 40 Ca(γ,p) 39 K* to the first three excited states have been measured for bremsstrahlung with end-point energies in the region 100-750 MeV. The C 2 S values for the first excited state were deduced from the pion photoproduction contribution to the measured yields. (Auth.)

Application of a non-equilibrium reaction model for describing horizontal well performance in foamy oil

Energy Technology Data Exchange (ETDEWEB)

Luigi, A.; Saputelli, B.; Carlas, M.; Canache, P.; Lopez, E. [DPVS Exploracion y Produccion (Venezuela)

1998-12-31

This study was designed to determine the activation energy ranges and frequency factor ranges in chemical reactions in heavy oils of the Orinoco Belt in Venezuela, in order to account for the kinetics of physical changes that occur in the morphology of gas-oil dispersion. A non-equilibrium reaction model was used to model foamy oil behaviour observed at SDZ-182 horizontal well in the Zuata field. Results showed that activation energy for the first reaction ranged from 0 to 0.01 BTU/lb-mol and frequency factor from 0.001 to 1000 l/day. For the second reaction the activation energy was 50x10{sub 3} BTU/lb-mol and the frequency factor 2.75x10{sub 1}2 l/day. The second reaction was highly sensitive to the modifications in activation energy and frequency factor. However, both the activation energy and frequency factor were independent of variations for the first reaction. In the case of the activation energy, the results showed that the high sensitivity of this parameter reflected the impact that temperature has on the representation of foamy oil behaviour. 8 refs., 2 tabs., 6 figs.

A primer for electroweak induced low-energy nuclear reactions

Indian Academy of Sciences (India)

paper is devoted to delineating the unifying features and to an overall synthesis of .... reaction e− + p → n + νe for electrons and protons of very low kinetic energy ..... of Z protons and N = (A − Z) neutrons where A is the total number of nucleons.

Experimental Study of Photon Induced Reactions on 3He and 4He at Low Energies

International Nuclear Information System (INIS)

Tornow, W.

2011-01-01

Data are reported for the photodisintegration cross section of the reaction 3 He(γ, p) 2 H at ten energies between 7.0 and 16.0 MeV. Very preliminary data are presented for the reaction 4 He(γ, p) 3 H between 22.0 and 29.5 MeV in 0.5 MeV energy steps, and for the reaction 4 He(γ, n) 3 He at three energies around 28.0 MeV. High-pressure He/Xe gas scintillators served as target and detector. Our data are in better agreement with recent theoretical calculations than the majority of the existing data for all three reactions, but differ significantly from recent data taken with a mono-energetic photon beam and a time-projection chamber. (author)

Excitation Functions for Charged Particle Induced Reactions in Light Elements at Low Projectile Energies

Energy Technology Data Exchange (ETDEWEB)

Lorenzen, J; Brune, D

1973-07-01

The present chapter has been formulated with the aim of making it useful in various fields of nuclear applications with emphasis on charged particle activation analysis. Activation analysis of light elements using charged particles has proved to be an important tool in solving various problems in analytical chemistry, e g those associated with metal surfaces. Scientists desiring to evaluate the distribution of light elements in the surface of various matrices using charged particle reactions require accurate data on cross sections in the MeV-region. A knowledge of cross section data and yield-functions is of great interest in many applied fields involving work with charged particles, such as radiological protection and health physics, material research, semiconductor material investigations and corrosion chemistry. The authors therefore decided to collect a limited number of data which find use in these fields. Although the compilation is far from being complete, it is expected to be of assistance in devising measurements of charged particle reactions in Van de Graaff or other low energy accelerators

Excitation Functions for Charged Particle Induced Reactions in Light Elements at Low Projectile Energies

International Nuclear Information System (INIS)

Lorenzen, J.; Brune, D.

1973-01-01

The present chapter has been formulated with the aim of making it useful in various fields of nuclear applications with emphasis on charged particle activation analysis. Activation analysis of light elements using charged particles has proved to be an important tool in solving various problems in analytical chemistry, e g those associated with metal surfaces. Scientists desiring to evaluate the distribution of light elements in the surface of various matrices using charged particle reactions require accurate data on cross sections in the MeV-region. A knowledge of cross section data and yield-functions is of great interest in many applied fields involving work with charged particles, such as radiological protection and health physics, material research, semiconductor material investigations and corrosion chemistry. The authors therefore decided to collect a limited number of data which find use in these fields. Although the compilation is far from being complete, it is expected to be of assistance in devising measurements of charged particle reactions in Van de Graaff or other low energy accelerators

Chemical reaction due to stronger Ramachandran interaction

Indian Academy of Sciences (India)

The origin of a chemical reaction between two reactant atoms is associated with the activation energy, on the assumption that, high-energy collisions between these atoms, are the ones that overcome the activation energy. Here, we show that a stronger attractive van der Waals (vdW) and electron-ion Coulomb interactions ...

Central collisions in intermediate energy heavy-ion reactions

International Nuclear Information System (INIS)

Wong, C.Y.

1979-01-01

The critical collisions in intermediate energy heavy-ion reactions are examined from both a microscopic and macroscopic viewpoint. In the microscopic description the proper tool is the extended TDHF approximation involving both the mean field and the particle collisions. To understand the underlying physics, the effect of the mean field and the effect of particle collisions are studied separately. It is found that th sudden increase in the density of the overlapping region can cause the volcano effect, leading to the complete disintegration of one of the nuclei. The self-consistent mean field also gives rise to the bunching instability when the two Fermi spheres of the colliding nucleons separate. The collision between nucleons, on the other hand, leads to irreversible dissipation, thermalization, and the possibility of a hydrodynamical description of the dynamics. Next is studied the dynamics of central collisions using the hydrodynamical description for many combinations of targets and projectiles at different energies. The formation of shock waves, sidesplash, and the complete disintegration of the whole nucleus are examined. Nuclear viscosity is found to affect the angular distribution of the reaction products and also the maximum compression ratio achieved during the collision. 28 references

Emission of high-energy charged particles at 00 in Ne-induced reactions

International Nuclear Information System (INIS)

Borcea, C.; Gierlik, E.; Kalinin, A.M.; Kalpakchieva, R.; Oganessia, Yu.Ts.; Pawlat, T.; Penionzhkevich, Yu.E.; Ryakhlyuk, A.V.

1982-01-01

Inclusive energy spectra have been measured for light charged particles emitted in the bombardment of 232 Th, 181 Ta, sup(nat)Ti and 12 C targets by 22 Ne ions at 178 MeV and sup(nat)Ti target by 20 Ne ions at 196 MeV. The reaction products were analysed and detected by means of a ΔE-E telescope placed in the focal plane of a magnetic spectrometer located at an angle of 0 deg with respect to the beam direction. In all the reactions studied light charged particles with an energy close to the respective calculated kinematic limit for a two-body exit channel are produced with relatively great probability. The results obtained make it possible to draw some conclusions about the reaction mechanism involving the emission of light charged particles

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

Science.gov (United States)

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

2018-06-14

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

International codes and model intercomparison for intermediate energy activation yields

International Nuclear Information System (INIS)

Rolf, M.; Nagel, P.

1997-01-01

The motivation for this intercomparison came from data needs of accelerator-based waste transmutation, energy amplification and medical therapy. The aim of this exercise is to determine the degree of reliability of current nuclear reaction models and codes when calculating activation yields in the intermediate energy range up to 5000 MeV. Emphasis has been placed for a wide range of target elements ( O, Al, Fe, Co, Zr and Au). This work is mainly based on calculation of (P,xPyN) integral cross section for incident proton. A qualitative description of some of the nuclear models and code options employed is made. The systematics of graphical presentation of the results allows a quick quantitative measure of agreement or deviation. This code intercomparison highlights the fact that modeling calculations of energy activation yields may at best have uncertainties of a factor of two. The causes of such discrepancies are multi-factorial. Problems are encountered which are connected with the calculation of nuclear masses, binding energies, Q-values, shell effects, medium energy fission and Fermi break-up. (A.C.)

Contribution to the study of low-energy (d,p) reactions on light nuclei; Contribution a l'etude des reactions (d,p) a basse energie sur noyaux legers

Energy Technology Data Exchange (ETDEWEB)

Nguyen Van, S [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

1967-05-15

This work is carried out with a view to analysing low energy (d,p) reactions on light nuclei measured at Grenoble or Algiers and suggesting a direct mechanism. The distorted wave approximation has been applied; this requires the development of programmes for the IBM 7044 computer at the 'Institut des Mathematiques Appliquees' in Grenoble. The (d,p) reactions on {sup 14}N, {sup 9}Be, {sup 22}Ne and {sup 16}O are dealt with. A calculation of the interference of the direct interaction and of resonating effects has been applied to {sup 16}O. (author) [French] Ce travail a pour but d'analyser les reactions (d,p) a basse energie sur noyaux legers, mesurees a Grenoble ou a Alger et qui suggerent un mecanisme direct. L'approximation des ondes distordues a ete appliquee, necessitant la mise au point de programmes sur l'ordinateur IBM 7044 de l'Institut des Mathematiques Appliquees de Grenoble. Des reactions (d,p) sur {sup 14}N, {sup 9}Be, {sup 22}Ne et {sup 16}O sont traitees. Un calcul de l'interference de l'interaction directe et des effets resonnants a ete applique a {sup 16}O. (auteur)

The chemistry of the carbothermal synthesis of β-SiC : reaction mechanism, reaction rate and grain growth

NARCIS (Netherlands)

van Dijen, F.K.; Metselaar, R.

1991-01-01

Evidence is given that in the present case the reaction mechanism of ß-SiC formation from silica and carbon is a direct solid-state reaction in which silica migrates over the silicon carbide surface to the carbon. A high value (440 kJ/mol) of activation energy is obtained for this reaction. This

Activation barriers for series of exothermic homologous reactions. VI. Reactions of lanthanide and transition metal atoms.

Science.gov (United States)

Blue, Alan S.; Fontijn, Arthur

2001-09-01

Semiempirical configuration interaction (SECI) theory to predict activation barriers, E, as given by k(T)=ATn exp(-E(RT), has been applied to homologous series of lanthanide (LN) and transition metal (TM) atom oxidation reactions. This was achieved by considering as homologous series reactions of elements differing only by the number of electrons in one subshell. Comparison between SECI and experimental results leads to an average deviation for the LN+N2O reactions of 0.66 kJ mol-1, and up to 5.5 kJ mol-1 for other series. Thirty-one activation barriers are reported.

Energy Considerations for Plasma-Assisted N-Fixation Reactions

Directory of Open Access Journals (Sweden)

Aikaterini Anastasopoulou

2014-09-01

Full Text Available In a time of increasing concerns about the immense energy consumption and poor environmental performance of contemporary processes in the chemical industry, there is great need to develop novel sustainable technologies that enhance energy efficiency. There is abundant chemical literature on process innovations (laboratory-scale around the plasma reactor itself, which, naturally, is the essential part to be intensified to achieve a satisfactory process. In essence, a plasma process needs attention beyond reaction engineering towards the process integration side and also with strong electrical engineering focus. In this mini-review, we have detailed our future focus on the process and energy intensification of plasma-based N-fixation. Three focal points are mainly stressed throughout the review: (I the integration of renewable energy; (II the power supply system of plasma reactors and (III process design of industrial plasma-assisted nitrogen fixation. These different enabling strategies will be set in a holistic and synergetic picture so as to improve process performance.

Analysis for mass distribution of proton-induced reactions in intermediate energy range

CERN Document Server

Xiao Yu Heng

2002-01-01

The mass and charge distribution of residual products produced in the spallation reactions needs to be studied, because it can provide useful information for the disposal of nuclear waste and residual radioactivity generated by the spallation neutron target system. In present work, the Many State Dynamical Model (MSDM) is based on the Cascade-Exciton Model (CEM). The authors use it to investigate the mass distribution of Nb, Au and Pb proton-induced reactions in energy range from 100 MeV to 3 GeV. The agreement between the MSDM simulations and the measured data is good in this energy range, and deviations mainly show up in the mass range of 90 - 150 for the high energy proton incident upon Au and Pb

Experimental investigation of dd reaction in range of ultralow energies using Z-pinch

International Nuclear Information System (INIS)

Bystritskij, V.M.; Grebenyuk, V.M.; Parzhitskij, S.S.

1998-01-01

Results of the experiments to measure the dd reaction cross section in the range of deuteron collision energies from 0.1 keV to 1.5 keV using Z-pinch technique are presented. The experiment was performed at the Pulsed Ion Beam Accelerator of the High-Current Electronics Institute in Tomsk. The dd fusion neutrons were registered by scintillation detectors using time-of-flight method and BF 3 detectors of thermal neutrons. At 90% confidence level, the upper limits of the neutron producing dd reaction cross sections are obtained for average deuteron collision energies of 0.11, 0.34, 0.37 and 1.46 keV. The results demonstrate that high-intensity pulsed accelerators with a generator current of 2-3 MA allow the dd reaction cross sections to be measured in the range of deuteron collision energies from 0.8 keV to 3 keV

Fission in intermediate energy heavy ion reactions

International Nuclear Information System (INIS)

Wilhelmy, J.B.; Begemann-Blaich, M.; Blaich, T.; Boissevain, J.; Fowler, M.M.; Gavron, A.; Jacak, B.V.; Lysaght, P.S.; Britt, H.C.; Fields, D.J.; Hansen, L.F.; Lanier, R.G.; Massoletti, D.J.; Namboodiri, M.M.; Remington, B.A.; Sangster, T.C.; Struble, G.L.; Webb, M.L.; Chan, Y.D.; Dacai, A.; Harmon, A.; Leyba, J.; Pouliot, J.; Stokstad, R.G.; Hansen, O.; Levine, M.J.; Thorn, C.E.; Trautmann, W.; Dichter, B.; Kaufman, S.; Videbaek, F.; Fraenkel, Z.; Mamane, G.; Cebra, D.; Westfall, G.D.

1989-01-01

A systematic study of reaction mechanisms at intermediate energies (50-100 MeV/A) has been performed at the Lawrence Berkeley Laboratory's BeValac using medium weight projectiles on medium and heavy element targets. A gas and plastic phoswich detector system was employed which gave large geometric coverage and a wide dynamic response. The particles identified with the gas detectors could be characterized into three components - intermediate mass fragments (IMF), fission fragments (FF) and heavy residues (HR). Major observed features are: The reaction yields are similar in the 50 to 100 MeV/A range, central collisions have high multiplicty of IMF's with broad angular correlations consistent with a large participant region, effects of final state Coulomb interactions are observed and give information on the size and temporal behavior of the source, true fission yields are dependent on target fissility and correlated with relatively peripheral collisions. Analysis of fission and evaporation yields implies limiting conditions for which fission decay remains a viable deexcitation channel. (orig.)

Fission in intermediate energy heavy ion reactions

International Nuclear Information System (INIS)

Wilhelmy, J.B.; Begemann-Blaich, M.; Blaich, T.

1989-01-01

A systematic study of reaction mechanisms at intermediate energies (50--100 MeV/A) has been performed at the Lawrence Berkeley Laboratory's BeValac using medium weight projectiles on medium and heavy element targets. A gas and plastic phoswich detector system was employed which gave large geometric coverage and a wide dynamic response. The particles identified with the gas detectors could be characterized into three components - intermediate mass fragments (IMF), fission fragments (FF) and heavy residues (HR). Major observed features are: the reaction yields are similar in the 50 to 100 MeV/A range, central collisions have high multiplicity of IMF's with broad angular correlations consistent with a large participant region, effects of final state Coulomb interactions are observed and give information on the size and temporal behavior of the source, true fission yields are dependent on target fissility and correlated with relatively peripheral collisions. Analysis of fission and evaporation yields implies limiting conditions for which fission decay remains a viable deexcitation channel. 7 figs

Reactivity of Single-Walled Carbon Nanotubes in the Diels-Alder Cycloaddition Reaction: Distortion-Interaction Analysis along the Reaction Pathway.

Science.gov (United States)

Li, Yingzi; Osuna, Sílvia; Garcia-Borràs, Marc; Qi, Xiaotian; Liu, Song; Houk, Kendall N; Lan, Yu

2016-08-26

Diels-Alder cycloaddition is one of the most powerful tools for the functionalization of single-walled carbon nanotubes (SWCNTs). Density functional theory at the B3-LYP level of theory has been used to investigate the reactivity of different-diameter SWCNTs (4-9,5) in Diels-Alder reactions with 1,3-butadiene; the reactivity was found to decrease with increasing SWCNT diameter. Distortion/interaction analysis along the whole reaction pathway was found to be a better way to explore the reactivity of this type of reaction. The difference in interaction energy along the reaction pathway is larger than that of the corresponding distortion energy. However, the distortion energy plots for these reactions show the same trend. Therefore, the formation of the transition state can be determined from the interaction energy. A lower interaction energy leads to an earlier transition state, which indicates a lower activation energy. The computational results also indicate that the original distortion of the SWCNTs leads to an increase in the reactivity of the SWCNTs. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Convergence to Equilibrium in Energy-Reaction-Diffusion Systems Using Vector-Valued Functional Inequalities

Science.gov (United States)

Mielke, Alexander; Mittnenzweig, Markus

2018-04-01

We discuss how the recently developed energy dissipation methods for reaction diffusion systems can be generalized to the non-isothermal case. For this, we use concave entropies in terms of the densities of the species and the internal energy, where the importance is that the equilibrium densities may depend on the internal energy. Using the log-Sobolev estimate and variants for lower-order entropies as well as estimates for the entropy production of the nonlinear reactions, we give two methods to estimate the relative entropy by the total entropy production, namely a somewhat restrictive convexity method, which provides explicit decay rates, and a very general, but weaker compactness method.

Energy flow and particle spectra with respect to the reaction plane for Au+Au collisions at AGS energies

International Nuclear Information System (INIS)

Zhang Yingchao; Wessels, J.P.

1995-01-01

Transverse energy flow is studied by exploiting the near 4π calorimetric coverage of experiment E877. A Fourier decomposition of the azimuthal transverse energy distributions in different regions of pseudorapidity is performed as a function of the centrality in order to describe the event shape. The extracted coefficients are compared to model predictions. Using the E877 forward spectrometer, triple differential cross section for protons and π + are measured with respect to the reaction plane determined by calorimeters. The variation of slope parameters at different orientations to the reaction plane is obtained by fitting to thermal Boltzmann distributions. (orig.)

Measurement of activation reaction rate distributions in a lead assembly bombarded with 500-MeV protons

CERN Document Server

Takada, H; Sasa, T; Tsujimoto, K; Yasuda, H

2000-01-01

Reaction rate distributions of various activation detectors such as the /sup nat/Ni(n, x)/sup 58/Co, /sup 197/Au(n,2n)/sup 196/Au, and /sup 197/Au(n,4n)/sup 194/Au reactions were measured to study the production and the transport of spallation neutrons in a lead assembly bombarded with protons of 500 MeV. The measured data were analyzed with the nucleon-meson transport code NMTC/JAERI combined with the MCNP4A code using the nuclide production cross sections based on the JENDL Dosimetry File and those calculated with the ALICE-F code. It was found that the NMTC/JAERI-MCNP4A calculations agreed well with the experiments for the low-energy-threshold reaction of /sup nat/Ni(n, x)/sup 58/Co. With the increase of threshold energy, however, the calculation underestimated the experiments, especially above 20 MeV. The reason for the disagreement can be attributed to the underestimation of the neutron yield in the tens of mega-electron-volt regions by the NMTC/JAERI code. (32 refs).

A model for consecutive spallation and fragmentation reactions in inverse kinematics at relativistic energies

International Nuclear Information System (INIS)

Napolitani, P.; Tassan-Got, L.; Bernas, M.; Armbruster, P.

2003-04-01

Secondary reactions induced by relativistic beams in inverse kinematics in a thick target are relevant in several fields of experimental physics and technology, like secondary radioactive beams, production of exotic nuclei close to the proton drip line, and cross-section measurements for applications of spallation reactions for energy production and incineration of nuclear wastes. A general mathematical formulation is presented and successively applied as a tool to disentangle the primary reaction yields from the secondary production in the measurement of fission of a 238 U projectile impinging on a proton target at the energy of 1 A GeV. (orig.)

Excitation function of ''7''4Ge(n, α)''7''1''mZn reaction in the energy range 13.82-14.70 MeV

International Nuclear Information System (INIS)

Halim, M.A.; Hafiz, M.A.; Naher, K.; Miah, R.U.; Ullah, M.R.

2003-01-01

The excitation function of the reaction ''7''4Ge(n, α)''7''1''mZn is measured by activation technique using high resolution HPGe detector gamma ray spectroscopy. Monoenergetic neutrons are produced via D-T reaction at J-25 neutron generator facility of the Institute of Nuclear Science and Technology, AERE, Bangladesh. The neutron flux measurement was done at different energy position in the range 13.82-14.70 MeV using the monitor reaction ''2''7Al(n, α)''2''4Na. The measured cross section values along with the literature data are plotted as a function of neutron energy to get the excitation function of the reaction. A theoretical calculation is also performed to produce the excitation function of the investigated reaction using statistical code SINCROS-II. The measured data are to be found to be in good agreement with the literature data and the theoretical cross section values. (author)

The TDF System for Thermonuclear Plasma Reaction Rates, Mean Energies and Two-Body Final State Particle Spectra

International Nuclear Information System (INIS)

Warshaw, S I

2001-01-01

The rate of thermonuclear reactions in hot plasmas as a function of local plasma temperature determines the way in which thermonuclear ignition and burning proceeds in the plasma. The conventional model approach to calculating these rates is to assume that the reacting nuclei in the plasma are in Maxwellian equilibrium at some well-defined plasma temperature, over which the statistical average of the reaction rate quantity σv is calculated, where σ is the cross-section for the reaction to proceed at the relative velocity v between the reacting particles. This approach is well-understood and is the basis for much nuclear fusion and astrophysical nuclear reaction rate data. The Thermonuclear Data File (TDF) system developed at the Lawrence Livermore National Laboratory (Warshaw 1991), which is the topic of this report, contains data on the Maxwellian-averaged thermonuclear reaction rates for various light nuclear reactions and the correspondingly Maxwellian-averaged energy spectra of the particles in the final state of those reactions as well. This spectral information closely models the output particle and energy distributions in a burning plasma, and therefore leads to more accurate computational treatments of thermonuclear burn, output particle energy deposition and diagnostics, in various contexts. In this report we review and derive the theoretical basis for calculating Maxwellian-averaged thermonuclear reaction rates, mean particle energies, and output particle spectral energy distributions for these reactions in the TDF system. The treatment of the kinematics is non-relativistic. The current version of the TDF system provides exit particle energy spectrum distributions for two-body final state reactions only. In a future report we will discuss and describe how output particle energy spectra for three- and four-body final states can be developed for the TDF system. We also include in this report a description of the algorithmic implementation of the TDF

Carbonylation as a key reaction in anaerobic acetone activation by Desulfococcus biacutus.

Science.gov (United States)

Gutiérrez Acosta, Olga B; Hardt, Norman; Schink, Bernhard

2013-10-01

Acetone is activated by aerobic and nitrate-reducing bacteria via an ATP-dependent carboxylation reaction to form acetoacetate as the first reaction product. In the activation of acetone by sulfate-reducing bacteria, acetoacetate has not been found to be an intermediate. Here, we present evidence of a carbonylation reaction as the initial step in the activation of acetone by the strictly anaerobic sulfate reducer Desulfococcus biacutus. In cell suspension experiments, CO was found to be a far better cosubstrate for acetone activation than CO2. The hypothetical reaction product, acetoacetaldehyde, is extremely reactive and could not be identified as a free intermediate. However, acetoacetaldehyde dinitrophenylhydrazone was detected by mass spectrometry in cell extract experiments as a reaction product of acetone, CO, and dinitrophenylhydrazine. In a similar assay, 2-amino-4-methylpyrimidine was formed as the product of a reaction between acetoacetaldehyde and guanidine. The reaction depended on ATP as a cosubstrate. Moreover, the specific activity of aldehyde dehydrogenase (coenzyme A [CoA] acylating) tested with the putative physiological substrate was found to be 153 ± 36 mU mg(-1) protein, and its activity was specifically induced in extracts of acetone-grown cells. Moreover, acetoacetyl-CoA was detected (by mass spectrometry) after the carbonylation reaction as the subsequent intermediate after acetoacetaldehyde was formed. These results together provide evidence that acetoacetaldehyde is an intermediate in the activation of acetone by sulfate-reducing bacteria.

Science Activities in Energy: Wind Energy.

Science.gov (United States)

Oak Ridge Associated Universities, TN.

Included in this science activities energy package are 12 activities related to wind energy for elementary students. Each activity is outlined on a single card and is introduced by a question. Topics include: (1) At what time of day is there enough wind to make electricity where you live?; (2) Where is the windiest spot on your schoolground?; and…

Effect of projectile on incomplete fusion reactions at low energies

Directory of Open Access Journals (Sweden)

Sharma Vijay R.

2017-01-01

Full Text Available Present work deals with the experimental studies of incomplete fusion reaction dynamics at energies as low as ≈ 4 - 7 MeV/A. Excitation functions populated via complete fusion and/or incomplete fusion processes in 12C+175Lu, and 13C+169Tm systems have been measured within the framework of PACE4 code. Data of excitation function measurements on comparison with different projectile-target combinations suggest the existence of ICF even at slightly above barrier energies where complete fusion (CF is supposed to be the sole contributor, and further demonstrates strong projectile structure dependence of ICF. The incomplete fusion strength functions for 12C+175Lu, and 13C+169Tm systems are analyzed as a function of various physical parameters at a constant vrel ≈ 0.053c. It has been found that one neutron (1n excess projectile 13C (as compared to 12C results in less incomplete fusion contribution due to its relatively large negative α-Q-value, hence, α Q-value seems to be a reliable parameter to understand the ICF dynamics at low energies. In order to explore the reaction modes on the basis of their entry state spin population, the spin distribution of residues populated via CF and/or ICF in 16O+159Tb system has been done using particle-γ coincidence technique. CF-α and ICF-α channels have been identified from backward (B and forward (F α-gated γspectra, respectively. Reaction dependent decay patterns have been observed in different α emitting channels. The CF channels are found to be fed over a broad spin range, however, ICF-α channels was observed only for high-spin states. Further, the existence of incomplete fusion at low bombarding energies indicates the possibility to populate high spin states

Effect of projectile on incomplete fusion reactions at low energies

Science.gov (United States)

Sharma, Vijay R.; Shuaib, Mohd.; Yadav, Abhishek; Singh, Pushpendra P.; Sharma, Manoj K.; Kumar, R.; Singh, Devendra P.; Singh, B. P.; Muralithar, S.; Singh, R. P.; Bhowmik, R. K.; Prasad, R.

2017-11-01

Present work deals with the experimental studies of incomplete fusion reaction dynamics at energies as low as ≈ 4 - 7 MeV/A. Excitation functions populated via complete fusion and/or incomplete fusion processes in 12C+175Lu, and 13C+169Tm systems have been measured within the framework of PACE4 code. Data of excitation function measurements on comparison with different projectile-target combinations suggest the existence of ICF even at slightly above barrier energies where complete fusion (CF) is supposed to be the sole contributor, and further demonstrates strong projectile structure dependence of ICF. The incomplete fusion strength functions for 12C+175Lu, and 13C+169Tm systems are analyzed as a function of various physical parameters at a constant vrel ≈ 0.053c. It has been found that one neutron (1n) excess projectile 13C (as compared to 12C) results in less incomplete fusion contribution due to its relatively large negative α-Q-value, hence, α Q-value seems to be a reliable parameter to understand the ICF dynamics at low energies. In order to explore the reaction modes on the basis of their entry state spin population, the spin distribution of residues populated via CF and/or ICF in 16O+159Tb system has been done using particle-γ coincidence technique. CF-α and ICF-α channels have been identified from backward (B) and forward (F) α-gated γspectra, respectively. Reaction dependent decay patterns have been observed in different α emitting channels. The CF channels are found to be fed over a broad spin range, however, ICF-α channels was observed only for high-spin states. Further, the existence of incomplete fusion at low bombarding energies indicates the possibility to populate high spin states

The 3rd Nordic meeting on high energy reactions in nuclei

International Nuclear Information System (INIS)

Green, A.M.; Kullander, S.

Abstracts of the 31 lectures given at the meeting are presented. Major emphasis was placed on the nucleon-nucleon and nucleon-antinucleon interaction in bound and unbound systems. Four of the ten sessions were devoted to this subject. Two sessions contained lecture and seminars on 'Isobars in nuclei', two were devoted to hadron-nucleus reactions, one to high-energy heavy-ion reactions and one to new developments of experimental tools. This latter session had two talks, one about channeling with GeV particles and the other about the planned low-energy antiproton facility LEAR at CERN. Talks of more general character were 'The experimental programme at the CERN SC', 'Accelerator produced nuclear fuel' and 'The upsilons, a new family of quark-antiquark bound state'. (JIW)

Efficient Method for the Determination of the Activation Energy of the Iodide-Catalyzed Decomposition of Hydrogen Peroxide

Science.gov (United States)

Sweeney, William; Lee, James; Abid, Nauman; DeMeo, Stephen

2014-01-01

An experiment is described that determines the activation energy (E[subscript a]) of the iodide-catalyzed decomposition reaction of hydrogen peroxide in a much more efficient manner than previously reported in the literature. Hydrogen peroxide, spontaneously or with a catalyst, decomposes to oxygen and water. Because the decomposition reaction is…

Inclusive quasielastic neutrino reactions in 12C and 16O at intermediate energies

International Nuclear Information System (INIS)

Singh, S.K.; Oset, E.

1993-01-01

Inclusive quasielastic neutrino (antineutrino) reactions on 12 C and 16 O at intermediate energies (50< E<400 MeV) are studied to investigate the effects of the nuclear medium on the total cross section and the energy spectrum of the outgoing leptons. The calculations are done in the local density approximation and various nuclear effects like Pauli blocking, Fermi motion, and strong-interaction renormalizations due to the presence of nucleons are taken into account. The corrections due to Coulomb effects are included which have been hitherto neglected in inclusive reactions. The results presented here are applicable to the inclusive reactions with neutrino beams planned to look for neutrino oscillations in the Los Alamos experiments or the experiments with underground detectors looking for atmospheric or solar flare neutrinos

A Review of Study on Thermal Energy Transport System by Synthesis and Decomposition Reactions of Methanol

Science.gov (United States)

Liu, Qiusheng; Yabe, Akira; Kajiyama, Shiro; Fukuda, Katsuya

The study on thermal energy transport system by synthesis and decomposition reactions of methanol was reviewed. To promote energy conservation and global environment protection, a two-step liquid-phase methanol synthesis process, which starts with carbonylation of methanol to methyl formate, then followed by the hydrogenolysis of the formate, was studied to recover wasted or unused discharged heat from industrial sources for the thermal energy demands of residential and commercial areas by chemical reactions. The research and development of the system were focused on the following three points. (1) Development of low-temperature decomposition and synthetic catalysts, (2) Development of liquid phase reactor (heat exchanger accompanying chemical reaction), (3) Simulation of the energy transport efficiency of entire system which contains heat recovery and supply sections. As the result of the development of catalyst, promising catalysts which agree with the development purposes for the methyl formate decomposition reaction and the synthetic reaction are being developed though some studies remain for the methanol decomposition and synthetic reactions. In the fundamental development of liquid phase reactor, the solubilities of CO and H2 gases in methanol and methyl formate were measured by the method of total pressure decrease due to absorption under pressures up to 1500kPa and temperatures up to 140°C. The diffusivity of CO gas in methanol was determined by measuring the diameter and solution time of single CO bubbles in methanol. The chemical reaction rate of methanol synthesis by hydrogenolysis of methyl formate was measured using a plate-type of Raney copper catalyst in a reactor with rectangular channel and in an autoclave reactor. The reaction characteristics were investigated by carrying out the experiments at various temperatures, flow rates and at various catalyst development conditions. We focused on the effect of Raney copper catalyst thickness on the liquid

Intermediate- and high-energy reactions of uranium with neon and carbon

International Nuclear Information System (INIS)

McGaughey, P.L.

1982-11-01

Target fragment production from the interactions of 1.0, 3.0, 4.8, and 12 GeV 12 C and 5.0, 8.0, 20, and 42 GeV 20 Ne with uranium has been measured using off-line gamma-ray spectroscopic techniques. The experimental charge and mass yield distributions are generally consistent with the concepts of limiting fragmentation and factorization at energies of 3.0 GeV and above. The total projectile kinetic energy was found to be the relevant scaling parameter for the comparison of reactions induced by projectiles of different sizes. Light fragments with mass number less than 60 were found to violate limiting fragmentation, and had excitation functions that were strongly increasing with projectile energy until 8.0 to 12.0 GeV. With the 1.0 GeV 12 C beam the pattern of mass yields was quite different from that of all the other reactions, with the normal peak in the fission mass region (80 < A < 145), but with much lower yields below mass number 60 and between mass numbers 145 and 210, indicating that these fragments are formed primarily in very energetic reactions in which large excitation energies are transferred to and significant amounts of mass are removed from the target nucleus. Theoretical predictions of the intra-nuclear cascade, nuclear fireball, and nuclear firestreak models are compared with the experimental results. The intra-nuclear cascade and nuclear firestreak models are both able to predict the general shapes of the experimental distributions, with the exception of the yields for the lightest fragments

Reaction channels of 6,7Li+28Si at near-barrier energies

International Nuclear Information System (INIS)

Pakou, A; Rusek, K; Nicolis, N G; Alamanos, N; Doukelis, G; Gillibert, A; Kalyva, G; Kokkoris, M; Lagoyannis, A; Musumarra, A; Papachristodoulou, C; Perdikakis, G; Pierroutsakou, D; Pollacco, E C; Spyrou, A; Zarkadas, Ch

2005-01-01

The production of α-particles in the reactions 6,7 Li+ 28 Si was studied as a means to disentangle the various reaction channels at near-barrier energies. The competition between compound and direct reactions was determined by using the shape of angular distributions and statistical model calculations. DWBA calculations were also performed to probe the various direct channels. It was found that, approaching barrier, transfer channels are the most dominant for both reactions. For 7 Li+ 28 Si d-transfer is one of the contributing channels without excluding t-transfer, while for 6 Li+ 28 Si, n-transfer and p-transfer have substantial contribution but without excluding d-transfer

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.

Theoretical study on pp → pnπ+ reaction at medium energies

International Nuclear Information System (INIS)

Ouyang, Zhen; Xie, Jujun; Zou, Bingsong; Xu, Hushan

2009-01-01

The pp → pnπ + reaction is a channel with the largest total cross section for pp collision in COSY/CSR energy region. In this work, we investigate individual contributions from various N* and Δ* resonances with mass up to about 2 GeV for the pp → pnπ + reaction. We extend a resonance model, which can reproduce the observed total cross section quite well, to give theoretical predictions of various differential cross sections for the present reaction at T p = 2.88 GeV. It could serve as a reference for identifying new physics in the future experiments at HIRFL-CSR. (author)

Direct reactions induced by 16O on 208Pb at high incident energy

International Nuclear Information System (INIS)

Mermaz, M.C.

1978-01-01

Direct reactions induced by 16 O mainly on 208 Pb at 20 MeV/nucleon are reviewed. The quasi-elastic transfer reaction, such as one-proton and one-neutron transfer respectively leading to 209 Bi and 209 Pb single-particle-states, is first discussed, the fragmentation of 16 O projectile on heavy targets is then envisaged. The one-nucleon transfer can be described within the framework of one-step processes using the DWBA formalism to calculate the cross sections. At high incident energy (312.6 MeV), transfer reactions involving nucleons from the deeper 1p 3/2 orbit of 16 O are kinematically favoured and well observed. At 20 MeV/A and above, a large part of the reaction cross sections seems to be due to the fragmentation of the projectile; more especially, an abrasion-ablation model have to be used in order to explain the general trend of the data (energy spectra and angular distribution)

Extension of the energy range of the experimental activation cross-sections data of longer-lived products of proton induced nuclear reactions on dysprosium up to 65MeV.

Science.gov (United States)

Tárkányi, F; Ditrói, F; Takács, S; Hermanne, A; Ignatyuk, A V

2015-04-01

Activation cross-sections data of longer-lived products of proton induced nuclear reactions on dysprosium were extended up to 65MeV by using stacked foil irradiation and gamma spectrometry experimental methods. Experimental cross-sections data for the formation of the radionuclides (159)Dy, (157)Dy, (155)Dy, (161)Tb, (160)Tb, (156)Tb, (155)Tb, (154m2)Tb, (154m1)Tb, (154g)Tb, (153)Tb, (152)Tb and (151)Tb are reported in the 36-65MeV energy range, and compared with an old dataset from 1964. The experimental data were also compared with the results of cross section calculations of the ALICE and EMPIRE nuclear model codes and of the TALYS nuclear reaction model code as listed in the latest on-line libraries TENDL 2013. Copyright © 2015. Published by Elsevier Ltd.

Intramolecular energy transfer and mode-specific effects in unimolecular reactions of 1,2-difluoroethane

Science.gov (United States)

Raff, Lionel M.

1989-06-01

The unimolecular decomposition reactions of 1,2-difluoroethane upon mode-specific excitation to a total internal energy of 7.5 eV are investigated using classical trajectory methods and a previously formulated empirical potential-energy surface. The decomposition channels for 1,2-difluoroethane are, in order of importance, four-center HF elimination, C-C bond rupture, and hydrogen-atom dissociation. This order is found to be independent of the particular vibrational mode excited. Neither fluorine-atom nor F2 elimination reactions are ever observed even though these dissociation channels are energetically open. For four-center HF elimination, the average fraction of the total energy partitioned into internal HF motion varies between 0.115-0.181 depending upon the particular vibrational mode initially excited. The internal energy of the fluoroethylene product lies in the range 0.716-0.776. Comparison of the present results with those previously obtained for a random distribution of the initial 1,2-difluoroethane internal energy [J. Phys. Chem. 92, 5111 (1988)], shows that numerous mode-specific effects are present in these reactions in spite of the fact that intramolecular energy transfer rates for this system are 5.88-25.5 times faster than any of the unimolecular reaction rates. Mode-specific excitation always leads to a total decomposition rate significantly larger than that obtained for a random distribution of the internal energy. Excitation of different 1,2-difluoroethane vibrational modes is found to produce as much as a 51% change in the total decomposition rate. Mode-specific effects are also seen in the product energy partitioning. The rate coefficients for decomposition into the various channels are very sensitive to the particular mode excited. A comparison of the calculated mode-specific effects with the previously determined mode-to-mode energy transfer rate coefficients [J. Chem. Phys. 89, 5680 (1988)] shows that, to some extent, the presence of mode

Potential design modifications for the High Yield Lithium Injection Fusion Energy (HYLIFE) reaction chamber

International Nuclear Information System (INIS)

Pitts, J.H.; Hovingh, J.; Meier, W.R.; Monsler, M.J.; Powell, E.G.; Walker, P.E.

1979-01-01

Generation of electric power from inertial confinement fusion requires a reaction chamber. One promising type, the High Yield Lithium Injection Fusion Energy (HYLIFE) chamber, includes a falling array of liquid lithium jets. These jets act as: (1) a renewable first wall and blanket to shield metal components from x-ray and neutron exposure, (2) a tritium breeder to replace tritium burned during the fusion process, and (3) an absorber and transfer medium for fusion energy. Over 90% of the energy produced in the reaction chamber is absorbed in the lithium jet fall. Design aspects are included

Reactions with weakly bound nuclei at near barrier energies

International Nuclear Information System (INIS)

Nanal, Vandana

2014-01-01

In reactions with weakly bound nuclei, the effect of breakup on fusion process has attracted much attention in recent years. The experimental study shows that breakup channel leads to suppression of complete fusion at above barrier energies due to loss of flux. The fusion barrier distribution can provide a further insight into understanding the influence of coupling to the breakup channels. Similar information could be obtained from the elastic and quasielastic (QEL) scattering because of the conservation of the reaction flux (i.e. R+T= 1), where R is the reflection probability and T is the transmission probability. Thus, quasi-elastic scattering at backward angles is the counterpart of the fusion process and it is expected that the barrier distributions extracted from two processes, namely, QEL and fusion should be similar. While this is true for tightly bound reaction systems, in reactions involving weakly bound projectiles significant differences have been observed for QEL barrier distributions with and without inclusion of breakup processes. This talk will present the recent results for fusion and quasi-elastic scattering in "6","7Li + "1"9"7Au system. Developmental efforts towards a momentum achromatic separator, MARIE, to extract projectile-like secondary ion beams following the reactions of heavy-ion beams from superconducting LINAC booster at Mumbai will also be presented. (author)

Proton-proton reaction rates at extreme energies

International Nuclear Information System (INIS)

Nagano, Motohiko

1993-01-01

Results on proton-antiproton reaction rates (total cross-section) at collision energies of 1.8 TeV from experiments at Fermilab have suggested a lower rate of increase with energy compared to the extrapolation based on results previously obtained at CERN's proton-antiproton collider (CERN Courier, October 1991). Now an independent estimate of the values for the proton-proton total cross-section for collision energies from 5 to 30 TeV has been provided by the analysis of cosmic ray shower data collected over ten years at the Akeno Observatory operated by the Institute for Cosmic Ray Research of University of Tokyo. These results are based on the inelastic cross-section for collisions of cosmic ray protons with air nuclei at energies in the range10 16-18 eV. A new extensive air shower experiment was started at Akeno, 150 km west of Tokyo, in 1979 with a large array of detectors, both on the ground and under a 1-metre concrete absorber. This measured the total numbers of electrons and muons of energies above 1GeV for individual showers with much better accuracy than before. Data collection was almost continuous for ten years without any change in the triggering criteria for showers above10 16 eV. The mean free path for proton-air nuclei collisions has been determined from the zenith angle of the observed frequency of air showers which have the same effective path length for development in the atmosphere and the same primary energy

Photo-neutron reaction cross-section for 93Nb in the end-point bremsstrahlung energies of 12–16 and 45–70 MeV

International Nuclear Information System (INIS)

Naik, H.; Kim, G.N.; Schwengner, R.; Kim, K.; Zaman, M.; Tatari, M.; Sahid, M.; Yang, S.C.; John, R.; Massarczyk, R.; Junghans, A.; Shin, S.G.; Key, Y.; Wagner, A.; Lee, M.W.; Goswami, A.; Cho, M.-H.

2013-01-01

The photo-neutron cross-sections of 93 Nb at the end-point bremsstrahlung energies of 12, 14 and 16 MeV as well as 45, 50, 55, 60 and 70 MeV have been determined by the activation and the off-line γ-ray spectrometric techniques using the 20 MeV electron linac (ELBE) at Helmholtz-Zentrum Dresden-Rossendorf (HZDR), Dresden, Germany, and 100 MeV electron linac at Pohang Accelerator Laboratory (PAL), Pohang, Korea. The 93 Nb(γ, xn, x=1–4) reaction cross-sections as a function of photon energy were also calculated using computer code TALYS 1.4. The flux-weighted average values were obtained from the experimental and the theoretical (TALYS) values based on mono-energetic photons. The experimental values of present work are in good agreement with the flux-weighted theoretical values of TALYS 1.4 but are slightly higher than the flux-weighted experimental data of mono-energetic photons. It was also found that the theoretical and the experimental values of present work and literature data for the 93 Nb(γ, xn) reaction cross-sections increase from the threshold values to a certain energy, where other reaction channels opens. However, the increase of 93 Nb(γ, n) and 93 Nb(γ, 2n) reaction cross-sections are sharper compared to 93 Nb(γ, 3n) and 93 Nb(γ, 4n) reaction cross-sections. The sharp increase of 93 Nb(γ, n) and 93 Nb(γ, 2n) reaction cross-sections from the threshold value up to 17–22 MeV is due to the Giant Dipole Resonance (GDR) effect besides the role of excitation energy. After a certain values, the individual 93 Nb(γ, xn) reaction cross-sections decrease with increase of bremsstrahlung energy due to opening of other reaction channels

Uncovering Special Nuclear Materials by Low-energy Nuclear Reaction Imaging.

Science.gov (United States)

Rose, P B; Erickson, A S; Mayer, M; Nattress, J; Jovanovic, I

2016-04-18

Weapons-grade uranium and plutonium could be used as nuclear explosives with extreme destructive potential. The problem of their detection, especially in standard cargo containers during transit, has been described as "searching for a needle in a haystack" because of the inherently low rate of spontaneous emission of characteristic penetrating radiation and the ease of its shielding. Currently, the only practical approach for uncovering well-shielded special nuclear materials is by use of active interrogation using an external radiation source. However, the similarity of these materials to shielding and the required radiation doses that may exceed regulatory limits prevent this method from being widely used in practice. We introduce a low-dose active detection technique, referred to as low-energy nuclear reaction imaging, which exploits the physics of interactions of multi-MeV monoenergetic photons and neutrons to simultaneously measure the material's areal density and effective atomic number, while confirming the presence of fissionable materials by observing the beta-delayed neutron emission. For the first time, we demonstrate identification and imaging of uranium with this novel technique using a simple yet robust source, setting the stage for its wide adoption in security applications.

Morphological impact on the reaction kinetics of size-selected cobalt oxide nanoparticles

International Nuclear Information System (INIS)

Bartling, Stephan; Meiwes-Broer, Karl-Heinz; Barke, Ingo; Pohl, Marga-Martina

2015-01-01

Apart from large surface areas, low activation energies are essential for efficient reactions, particularly in heterogeneous catalysis. Here, we show that not only the size of nanoparticles but also their detailed morphology can crucially affect reaction kinetics, as demonstrated for mass-selected, soft-landed, and oxidized cobalt clusters in a 6 nm to 18 nm size range. The method of reflection high-energy electron diffraction is extended to the quantitative determination of particle activation energies which is applied for repeated oxidation and reduction cycles at the same particles. We find unexpectedly small activation barriers for the reduction reaction of the largest particles studied, despite generally increasing barriers for growing sizes. We attribute these observations to the interplay of reaction-specific material transport with a size-dependent inner particle morphology

Theoretical Study of Sodium-Water Surface Reaction Mechanism

Science.gov (United States)

Kikuchi, Shin; Kurihara, Akikazu; Ohshima, Hiroyuki; Hashimoto, Kenro

Computational study of the sodium-water reaction at the gas (water) - liquid (sodium) interface has been carried out using the ab initio (first-principle) method. A possible reaction channel has been identified for the stepwise OH bond dissociations of a single water molecule. The energetics including the binding energy of a water molecule on the sodium surface, the activation energies of the bond cleavages, and the reaction energies, have been evaluated, and the rate constants of the first and second OH bond-breakings have been compared. It was found that the estimated rate constant of the former was much larger than the latter. The results are the basis for constructing the chemical reaction model used in a multi-dimensional sodium-water reaction code, SERAPHIM, being developed by Japan Atomic Energy Agency (JAEA) toward the safety assessment of the steam generator (SG) in a sodium-cooled fast reactor (SFR).

Theoretical study of sodium-water surface reaction mechanism

International Nuclear Information System (INIS)

Kikuchi, Shin; Kurihara, Akikazu; Ohshima, Hiroyuki; Hashimoto, Kenro

2012-01-01

Computational study of the sodium-water reaction at the gas (water) - liquid (sodium) interface has been carried out using the ab initio (first-principle) method. A possible reaction channel has been identified for the stepwise OH bond dissociations of a single water molecule. The energetics including the binding energy of a water molecule on the sodium surface, the activation energies of the bond cleavages, and the reaction energies, have been evaluated, and the rate constants of the first and second OH bond-breakings have been compared. It was found that the estimated rate constant of the former was much larger than the latter. The results are the basis for constructing the chemical reaction model used in a multi-dimensional sodium-water reaction code, SERAPHIM, being developed by Japan Atomic Energy Agency (JAEA) toward the safety assessment of the steam generator (SG) in a sodium-cooled fast reactor (SFR). (author)

Non-Fermi Liquids as Highly Active Oxygen Evolution Reaction Catalysts.

Science.gov (United States)

Hirai, Shigeto; Yagi, Shunsuke; Chen, Wei-Tin; Chou, Fang-Cheng; Okazaki, Noriyasu; Ohno, Tomoya; Suzuki, Hisao; Matsuda, Takeshi

2017-10-01

The oxygen evolution reaction (OER) plays a key role in emerging energy conversion technologies such as rechargeable metal-air batteries, and direct solar water splitting. Herein, a remarkably low overpotential of ≈150 mV at 10 mA cm -2 disk in alkaline solutions using one of the non-Fermi liquids, Hg 2 Ru 2 O 7 , is reported. Hg 2 Ru 2 O 7 displays a rapid increase in current density and excellent durability as an OER catalyst. This outstanding catalytic performance is realized through the coexistence of localized d-bands with the metallic state that is unique to non-Fermi liquids. The findings indicate that non-Fermi liquids could greatly improve the design of highly active OER catalysts.

On the Effect of Microwave Energy on Lipase-Catalyzed Polycondensation Reactions

Directory of Open Access Journals (Sweden)

Alessandro Pellis

2016-09-01

Full Text Available Microwave energy (MWe is, nowadays, widely used as a clean synthesis tool to improve several chemical reactions, such as drug molecule synthesis, carbohydrate conversion and biomass pyrolysis. On the other hand, its exploitation in enzymatic reactions has only been fleetingly investigated and, hence, further study of MWe is required to reach a precise understanding of its potential in this field. Starting from the authors’ experience in clean synthesis and biocatalyzed reactions, this study sheds light on the possibility of using MWe for enhancing enzyme-catalyzed polycondensation reactions and pre-polymer formation. Several systems and set ups were investigated involving bulk and organic media (solution phase reactions, different enzymatic preparations and various starting bio-based monomers. Results show that MWe enables the biocatalyzed synthesis of polyesters and pre-polymers in a similar way to that reported using conventional heating with an oil bath, but in a few cases, notably bulk phase polycondensations under intense microwave irradiation, MWe leads to a rapid enzyme deactivation.

The astrophysical S factor for dd reaction at ultralow energies

International Nuclear Information System (INIS)

Bystritskii, Vit.M.; Bystritsky, V.M.; Grebenyuk, V.M.

2001-01-01

The experimental results of measurements of the astrophysical S factor for dd reaction at very low deuteron collision energies using liner plasma technique are presented. The experiment was fulfilled at the high-current generator of the High-Current Electronics Institute (Tomsk, Russia). The measured values of S factors for the deuteron collision energies 1.80, 2.06, and 2.27 keV are S dd = 114 ± 68, 64 ± 30, and 53 ± 16 keV b, respectively. The corresponding cross sections for dd reaction, described as a product of the barrier factor and measured astrophysical S factor are: σ dd n (E col = 1.80 keV) = (4.3 ± 2.6) x 10 -33 cm 2 ; σ dd n (E col = 2.06 keV) = (9.8 ± 4.6) x 10 -33 cm 2 ; σ dd n (E col = 2.27 keV) = (2.1 ± 0.6) x 10 -32 cm 2 [ru

Zero-point energy, tunnelling, and vibrational adiabaticity in the Mu + H2 reaction

Science.gov (United States)

Mielke, Steven L.; Garrett, Bruce C.; Fleming, Donald G.; Truhlar, Donald G.

2015-01-01

Isotopic substitution of muonium for hydrogen provides an unparalleled opportunity to deepen our understanding of quantum mass effects on chemical reactions. A recent topical review in this journal of the thermal and vibrationally state-selected reaction of Mu with H2 raises a number of issues that are addressed here. We show that some earlier quantum mechanical calculations of the Mu + H2 reaction, which are highlighted in this review, and which have been used to benchmark approximate methods, are in error by as much as 19% in the low-temperature limit. We demonstrate that an approximate treatment of the Born-Oppenheimer diagonal correction that was used in some recent studies is not valid for treating the vibrationally state-selected reaction. We also discuss why vibrationally adiabatic potentials that neglect bend zero-point energy are not a useful analytical tool for understanding reaction rates, and why vibrationally non-adiabatic transitions cannot be understood by considering tunnelling through vibrationally adiabatic potentials. Finally, we present calculations on a hierarchical family of potential energy surfaces to assess the sensitivity of rate constants to the quality of the potential surface.

Measurement and analysis of high energy radiation through activation detectors. Application in dosimetry

International Nuclear Information System (INIS)

Sklavenitis, L.

1967-10-01

This work is concerned with the possibility of measurement and analysis of radiation fluences within objects of small volume submitted to a high energy proton beam. The first part, consecrated to the establishment of a method of analysis, comprises a detailed study of the radiation nature and energy spectra as well as of the various dosimetry methods. In order to select a group of detectors, high energy nuclear reactions were systematically studied and for some of them cross sections were measured or calculated: for example the cross section of the reaction 11 B (p,n) 11 C between 150 and 3000 MeV and of the reaction 34 S (p,2pn) 32 P between 50 and 3000 MeV. The second part is relative to the application of the fore-mentioned analysis to radiation within a tissue equivalent phantom irradiated by 3 GeV protons. This analysis is sufficiently detailed to allow the reconstitution of the absorbed doses, the dose equivalent and, contingent on a better knowledge of the dose due to heavy particles, the quality factors. It allowed also to follow the evolution of the various dosimetric data as a function of the depth inside the phantom and to verify calculations already done by other researchers. The comparison of the measured doses and the corresponding detector activities revealed the possibility that some detectors could give directly the absorbed dose, or even the dose equivalent, by a simple activity measurement. (author) [fr

Contribution to the study of low-energy (d,p) reactions on light nuclei; Contribution a l'etude des reactions (d,p) a basse energie sur noyaux legers

Energy Technology Data Exchange (ETDEWEB)

Nguyen Van, S. [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

1967-05-15

This work is carried out with a view to analysing low energy (d,p) reactions on light nuclei measured at Grenoble or Algiers and suggesting a direct mechanism. The distorted wave approximation has been applied; this requires the development of programmes for the IBM 7044 computer at the 'Institut des Mathematiques Appliquees' in Grenoble. The (d,p) reactions on {sup 14}N, {sup 9}Be, {sup 22}Ne and {sup 16}O are dealt with. A calculation of the interference of the direct interaction and of resonating effects has been applied to {sup 16}O. (author) [French] Ce travail a pour but d'analyser les reactions (d,p) a basse energie sur noyaux legers, mesurees a Grenoble ou a Alger et qui suggerent un mecanisme direct. L'approximation des ondes distordues a ete appliquee, necessitant la mise au point de programmes sur l'ordinateur IBM 7044 de l'Institut des Mathematiques Appliquees de Grenoble. Des reactions (d,p) sur {sup 14}N, {sup 9}Be, {sup 22}Ne et {sup 16}O sont traitees. Un calcul de l'interference de l'interaction directe et des effets resonnants a ete applique a {sup 16}O. (auteur)

Complete active space second order perturbation theory (CASPT2) study of N({sup 2}D) + H{sub 2}O reaction paths on D{sub 1} and D{sub 0} potential energy surfaces: Direct and roaming pathways

Energy Technology Data Exchange (ETDEWEB)

Isegawa, Miho; Liu, Fengyi [Fukui Institute for Fundamental Chemistry, Kyoto University, 34-4 Takano Nishihiraki-cho, Kyoto 606-8103 (Japan); Maeda, Satoshi [Department of Chemistry, Faculty of Science, Hokkaido University, Sapporo 060-0810 (Japan); Morokuma, Keiji, E-mail: morokuma@fukui.kyoto-u.ac.jp [Fukui Institute for Fundamental Chemistry, Kyoto University, 34-4 Takano Nishihiraki-cho, Kyoto 606-8103 (Japan); Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322 (United States)

2014-10-21

We report reaction paths starting from N({sup 2}D) + H{sub 2}O for doublet spin states, D{sub 0} and D{sub 1}. The potential energy surfaces are explored in an automated fashion using the global reaction route mapping strategy. The critical points and reaction paths have been fully optimized at the complete active space second order perturbation theory level taking all valence electrons in the active space. In addition to direct dissociation pathways that would be dominant, three roaming processes, two roaming dissociation, and one roaming isomerization: (1) H{sub 2}ON → H–O(H)N → H–HON → NO({sup 2}Π) + H{sub 2}, (2) cis-HNOH → HNO–H → H–HNO → NO + H{sub 2}, (3) H{sub 2}NO → H–HNO → HNO–H → trans-HNOH, are confirmed on the D{sub 0} surface.

Angular evolution of peripheral heavy ion reactions at intermediate energies

International Nuclear Information System (INIS)

Blumenfeld, Y.; Chomaz, P.; Frascaria, N.; Garron, J.P.; Jacmart, J.C; Roynette, J.C

1985-01-01

Energy spectra and angular distributions of projectile-like fragments have been measured in the vicinity of the grazing angle for the 40 Ar+ 40 Ca and 40 Ar+ 208 Pb reactions at 44MeV/nucleon. Measurements of the 40 Ar+ 40 Ca system at 27MeV/nucleon and 20 Ne+ 208 Pb reaction at 44MeV/nucleon at one angle have also been performed. For fragments with charge and mass close to the projectile numerous deviations from the standard fragmentation model have been observed including rapidly changing shapes of the angular distributions with the fragment mass. Moreover the isotopic distributions and mean fragment velocities are strongly dependent on detection angle. A surface transfer reaction component dominant at the grazing angle can be separated from a second component which cannot be entirely accounted for by a simple fragmentation mechanism

Transfer of energy from irradiated crystals to redox reactions: iodide/bromate and nitrite/bromate systems

International Nuclear Information System (INIS)

Arnikar, H.J.; Madhava Rao, B.S.; Bedekar, M.J.

1978-01-01

Earlier it had been shown by the authors that some of the redox reactions, which do not take place at room temperature can be induced by γ radiation. The yields are proportional to the dose. Results reported here show that instead of direct irradiation, the energy stored in irradiated crystals in the form of F and hole centres can be available, in part, in effecting redox reactions. The mechanism of such an energy transfer is discussed with reference to reactions in the I - +BrO 3 - and NO 2 - +BrO 3 - systems due to the addition of irradiated NaCl. (author)

Computed potential energy surfaces for chemical reactions

Science.gov (United States)

Walch, Stephen P.

1988-01-01

The minimum energy path for the addition of a hydrogen atom to N2 is characterized in CASSCF/CCI calculations using the (4s3p2d1f/3s2p1d) basis set, with additional single point calculations at the stationary points of the potential energy surface using the (5s4p3d2f/4s3p2d) basis set. These calculations represent the most extensive set of ab initio calculations completed to date, yielding a zero point corrected barrier for HN2 dissociation of approx. 8.5 kcal mol/1. The lifetime of the HN2 species is estimated from the calculated geometries and energetics using both conventional Transition State Theory and a method which utilizes an Eckart barrier to compute one dimensional quantum mechanical tunneling effects. It is concluded that the lifetime of the HN2 species is very short, greatly limiting its role in both termolecular recombination reactions and combustion processes.

(3He,α) reaction mechanism at high energy and neutron inner shell structure

International Nuclear Information System (INIS)

Wiele, J. van de.

1980-01-01

The ( 3 He,α) reaction on 12 C, 16 O, 28 Si, 58 Ni, 90 Zr, 118 Sn, 124 Sn and 208 Pb targets has been studied at Esub( 3 He) = 217 MeV (or 205 MeV) in order to investigate the reaction mechanism at high energy and large momentum transfer. The reaction yields large cross sections at very forward angles and strongly enhances the largest orbital momentum transfer. The angular distribution shapes are well reproduced in the frame-work of the Z-R- D.W.B.A. analysis if we use a unique empirical α-potential: Vsub(α)(Esub(α)) = Vsub( 3 He)(3/4 Esub(α)) + Vsub(n)(1/4 Esub(α)). The excitation energy spectra have been measured up to 100 MeV in the residual light and medium nuclei and up to about 16 MeV in heavy nuclei. In addition to the well-known low-lying levels, peaks or broad structures are observed for each nucleus at higher excitation energies. They are attributed to pick up from inner shells: 1s( 11 C and 15 O), 1p( 27 Si), 1d5/2 + 1p( 57 Ni), 1f7/2( 89 Zr) 1g9/2 117 Sn, 123 Sn and 1h11/2( 207 Pb). Selectivity and localization of direct and indirect pick up ( 3 He,α) reactions were studied. Finite range calculations show that this reaction is not very sensitive to the details of the range from function but only to D 0 coefficient and range R. A microscopic α-nucleus optical potential calculated with n-n dependent and independent density forces is able to reproduce both elastic scattering and pick up reaction angular distributions [fr

Progress in applyiong the FKK multistep reaction theory to intermediate-energy data evaluation

International Nuclear Information System (INIS)

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

1994-01-01

Recent developments to the physics modeling in the FKK-GNASH code system are reviewed. We describe modifications to include a linking of multistep direct and multistep compound processes, which are important when the incident energy is less than about 30 MeV. A model for multiple preequilibrium emission is given, and compared with experimental measurements of proton reactions on 90 Zr at 160 MeV. We also give some preliminary observations concerning FKK calculations which use both normal and non-normal DWBA matrix elements. We describe the application of the FKK-GNASH code to a range of nuclear data applications, including intermediate energy reactions of importance in the accelerator transmutation of waste, and fast neutron and proton cancer radiation treatment. We outline areas where further work is needed for the accurate modeling of nuclear reactions using the FKK theory

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.

Measurement of activation cross sections for quasi-monoenergetic neutron induced reactions of {sup 89}Y

Energy Technology Data Exchange (ETDEWEB)

Zaman, Muhammad; Kim, Guinyun; Kim, Kwangsoo; Nadeem, Muhammad [Kyungpook National University, Department of Physics and Center for High Energy Physics, Daegu (Korea, Republic of); Naik, Haladhara [Kyungpook National University, Department of Physics and Center for High Energy Physics, Daegu (Korea, Republic of); Bhabha Atomic Research Centre, Radiochemistry Division, Mumbai (India); Lee, Manwoo [Dongnam Inst. of Radiological and Medical Sciences, Research Center, Busan (Korea, Republic of)

2017-09-15

The neutron induced cross sections of the {sup 89}Y(n, 2n){sup 88}Y, {sup 89}Y(n, 3n){sup 87}Y and {sup 89}Y(n, 4n){sup 86}Y reactions were measured in the neutron energy range of 15.2 to 37.2 MeV by using an activation and off-line γ-ray spectrometric technique. The quasi-monoenergetic neutrons used for the above reactions are based on a {sup 9}Be(p, n) reaction. Simulations of the neutron spectra from the Be target were done using the MCNPX 2.6.0 program. Theoretical calculations were performed for the {sup 89}Y(n, 2n){sup 88}Y, {sup 89}Y(n, 3n){sup 87}Y and {sup 89}Y(n, 4n){sup 86}Y reaction cross sections using nuclear model code Talys 1.8. The measured and calculated cross sections were compared with the literature data given in EXFOR and the TENDL-2015 data libraries. The present data of the {sup 89}Y(n, xn) reaction were also compared with the similar data of the {sup 89}Y(γ, xn) reaction to examine the effect of the entrance channel parameters as well as the role of projectiles and ejectiles. (orig.)

Specialized reactions: reactions at intermediate energies: Baryon--nucleus collisions, 150 MeV--1 GeV

International Nuclear Information System (INIS)

Igo, G.

1974-01-01

The high energy collision approximation proposed by Glauber to describe experimental data at the upper end of the intermediate range is reviewed. Some aspects of the model which limit its validity are outlined. Elastic scattering of protons from light nuclei is discussed in the framework of the Glauber model. For data in the energy region near 200 MeV, the plane wave impulse approximation (PWIA) and the distorted wave impulse approximation (DWIA) are applied. Quasielastic scattering is treated by considering (p,p') and (p,2p) reactions with light nuclei. A short discussion of the high resolution spectrometer facility at LAMPF and the SPES 1 facility at Saturne is given. (46 figures, 3 tables, 102 references) (U.S.)

The 2H(e, e' p)n reaction at large energy transfers

NARCIS (Netherlands)

Willering, Hendrik Willem

2003-01-01

At the ELSA accelerator facillity in Bonn, Germany, we have measured the deutron "breakup" reaction 2H(e,e' p)n at four-momentum transfers around Q2 = -0 .20(GeV/c)2 with an electron beam energy of E0 = 1.6 GeV. The cross section has been determined for energy transfers extending from the

A thermal spike analysis of low energy ion activated surface processes

International Nuclear Information System (INIS)

Gilmore, G.M.; Haeri, A.; Sprague, J.A.

1989-01-01

This paper reports a thermal spike analysis utilized to predict the time evolution of energy propagation through a solid resulting from energetic particle impact. An analytical solution was developed that can predict the number of surface excitations such as desorption, diffusion or chemical reaction activated by an energetic particle. The analytical solution is limited to substrates at zero Kelvin and to materials with constant thermal diffusivities. These limitations were removed by developing a computer numerical integration of the propagation of the thermal spike through the solid and the subsequent activation of surface processes

Quadrupole type mass spectrometric study of the abstraction reaction between hydrogen atoms and ethane.

Science.gov (United States)

Bayrakçeken, Fuat

2008-02-01

The reactions of photochemically generated deuterium atoms of selected initial translational energy with ethane have been investigated. At each initial energy the relative probability of the atoms undergoing reaction or energy loss on collision with ethane was investigated, and the phenomenological threshold energy was measured as 30+/-5kJmol(-1) for the abstraction from the secondary C-H bonds. The ratio of relative yields per bond, secondary:primary was approximately 3 at the higher energies studied. The correlation of threshold energies with bond dissociation energies, heats of reaction and activation energies is discussed for abstraction reactions with several hydrocarbons.

Experimental studies of keV energy neutron-induced reactions relevant to astrophysics and nuclear physics

Energy Technology Data Exchange (ETDEWEB)

Shima, T.; Kii, T.; Kikuchi, T.; Okazaki, F.; Kobayashi, T.; Baba, T.; Nagai, Y. [Tokyo Inst. of Tech. (Japan). Faculty of Science; Igashira, M.

1997-03-01

Nuclear reactions induced by keV energy neutrons provide a plenty of informations for studies of both astrophysics and nuclear physics. In this paper we will show our experimental studies of neutron- induced reactions of light nuclei in the keV energy region by means of a pulsed keV neutron beam and high-sensitivity detectors. Also we will discuss astrophysical and nuclear-physical consequences by using the obtained results. (author)

Practical lesson of Photosynthesis: A demonstration of Hill reaction in chloroplasts with energy dissipation by fluorescence upon photosystems uncoupling or inhibition by Diuron herbicide

Directory of Open Access Journals (Sweden)

Vadim Ravara Viviani

2016-05-01

Full Text Available During photosynthesis, the photochemical electron transfer process is easily demonstrated by the Hill reaction, where artificial electron acceptors are reduced by active chloroplasts suspensions in the presence of light.  However, the destiny of luminous energy absorbed by chlorophyll molecules in uncoupled or damaged photosystems is not usually demonstrated. Here we provide an adaptation of the classical Hill reaction using intact spinach chloroplasts, which includes the visualization of energy dissipation by fluorescence in lysed chloroplasts, and a dose/effect response in photosystems inhibited by the herbicide DCMU. This laboratory lesson, which is aimed to biochemistry and biophysics for undergraduate courses of Chemistry, Biological, Environmental and Agricultural Sciences, provides the basic photochemical principles using the classical Hill reaction, and photophysical principles through the visualization of energy dissipation by chlorophyll fluorescence,  improving the understanding of the photosynthetic process, and introducing the concept of fluorescence and its applications as bioanalytical tool to monitor photosynthesis in plants and vegetal ecosystems.

The water decomposition reactions on boron-doped diamond electrodes

International Nuclear Information System (INIS)

Suffredini, Hugo B.; Machado, Sergio A.S; Avaca, Luis A.

2004-01-01

The electrochemical processes occurring at both edges of the wide electrochemical window of the boron doped diamond (BDD) electrode were studied by polarization curves experiments to evaluate the apparent energy of activation for the rate determining step in each reaction. It was found that the hydrogen evolution reaction occurs by a Volmer-Heyrovsky mechanism with the first step being the RDS. Moreover, the apparent energy of activation calculated from the Tafel plots presented a value as high as 150 kJ mol -1 , indicating the formation of the M-H intermediate that is characteristic for the Volmer step. On the other hand, the apparent energy of activation for the oxygen evolution reaction was found to be 106 kJ mol -1 suggesting that the RDS in this mechanism is the initial adsorption step. In this way, it was demonstrated that the interaction between water molecules and the electrode surface is strongly inhibited on BDD thus justifying the extended potential window observed for this material. (author)

The water decomposition reactions on boron-doped diamond electrodes

Directory of Open Access Journals (Sweden)

Suffredini Hugo B

2004-01-01

Full Text Available The electrochemical processes occurring at both edges of the wide electrochemical window of the boron doped diamond (BDD electrode were studied by polarization curves experiments to evaluate the apparent energy of activation for the rate determining step in each reaction. It was found that the hydrogen evolution reaction occurs by a Volmer-Heyrovsky mechanism with the first step being the RDS. Moreover, the apparent energy of activation calculated from the Tafel plots presented a value as high as 150 kJ mol-1, indicating the formation of the M-H intermediate that is characteristic for the Volmer step. On the other hand, the apparent energy of activation for the oxygen evolution reaction was found to be 106 kJ mol-1 suggesting that the RDS in this mechanism is the initial adsorption step. In this way, it was demonstrated that the interaction between water molecules and the electrode surface is strongly inhibited on BDD thus justifying the extended potential window observed for this material.

Screening of catalytic oxygen reduction reaction activity of metal-doped graphene by density functional theory

International Nuclear Information System (INIS)

Chen, Xin; Chen, Shuangjing; Wang, Jinyu

2016-01-01

Highlights: • The screened M-G structures are very thermodynamically stable, and the stability is even higher than that of the corresponding bulk metal surfaces. • The binding energies of ORR intermediates suggest that they are not linear dependence, which are different form the cases found on some metal-based catalysts. • The Au-, Co-, and Ag-G structures could be used as the ORR catalysts. - Abstract: Graphene doping is a promising direction for developing effective oxygen reduction reaction (ORR) catalysts. In this paper, we computationally investigated the ORR performance of 10 kinds of metal-doped graphene (M-G) catalysts, namely, Al-, Si-, Mn-, Fe-, Co-, Ni-, Pd-, Ag-, Pt-, and Au-G. The results shown that the binding energies of the metal atoms incorporated into the graphene vacancy are higher than their bulk cohesive energies, indicating the formed M-G catalysts are even more stable than the corresponding bulk metal surfaces, and thus avoid the metals dissolution in the reaction environment. We demonstrated that the linear relation among the binding energies of the ORR intermediates that found on metal-based materials does not hold for the M-G catalysts, therefore a single binding energy of intermediate alone is not sufficient to evaluate the ORR activity of an arbitrary catalyst. By analysis of the detailed ORR processes, we predicted that the Au-, Co-, and Ag-G materials can be used as the ORR catalysts.

The Effect of Sports and Physical Activity on Elderly Reaction Time and Response Time

Directory of Open Access Journals (Sweden)

Abdolrahman Khezri

2014-07-01

Full Text Available Objectives: Physical activities ameliorate elderly motor and cognitive performance. The aim of this research is to study the effect of sport and physical activity on elderly reaction time and response time. Methods & Materials: The research method is causal-comparative and its statistical population consists of 60 active and non-active old males over 60 years residing at Mahabad city. Reaction time was measured by reaction timer apparatus, made in Takei Company (YB1000 model. Response time was measured via Nelson’s Choice- Response Movement Test. At first, reaction time and then response time was measured. For data analysis, descriptive statistic, K-S Test and One Sample T Test were used Results K-S Test show that research data was parametric. According to the results of this research, physical activity affected reaction time and response time. Results: of T test show that reaction time (P=0.000 and response time (P=0.000 of active group was statistically shorter than non- active group. Conclusion: The result of current study demonstrate that sport and physical activity, decrease reaction and response time via psychomotor and physiological positive changes.

Neutron-induced reactions on U and Th - A new approach via AMS

International Nuclear Information System (INIS)

Wallner, A.; Capote, R.; Christl, M.; Fifield, L.K.; Srncik, M.; Tims, S.; Hotchkis, M.; Krasa, A.; Lachner, J.; Lippold, J.; Plompen, A.; Semkova, V.; Steier, P.; Winkler, S.

2014-01-01

Recent studies exhibit discrepancies at keV and MeV energies between major nuclear data libraries for 238 U(n,γ), 232 Th(n,γ) and also for (n,xn) reactions. We have extended our initial (n,γ) measurements on 235,238 U to higher neutron energies and to additional reaction channels. Neutron-induced reactions on 232 Th and 238 U were measured by a combination of the activation technique and atom counting of the reaction products using accelerator mass spectrometry (AMS). Natural thorium and uranium samples were activated with quasi-monoenergetic neutrons at IRMM. Neutron capture data were produced for neutron energies between 0.5 and 5 MeV. Fast neutron-induced reactions were studied in the energy range from 17 to 22 MeV. Preliminary data indicate a fair agreement with data libraries; however at the lower band of existing data. This approach represents a complementary method to on-line particle detection techniques and also to conventional decay counting. (authors)

The astrophysical S-factor for dd-reactions at keV-energy range

International Nuclear Information System (INIS)

Bystritskii, V.; Bystritsky, V.; Chaikovsky, S.

2001-01-01

The experimental results of measurements of the astrophysical S-factor for dd-reaction at keV-energy range collision energies using liner plasma technique are presented. The experiments were carried out at the high current generator of the Institute of High-Current Electronics in Tomsk, Russia. The measured values of the S-factors for the deuteron collision energies 1.80, 2.06 and 2.27 keV are S dd =(114±68), (64±30), (53±16) b x keV, respectively. The corresponding cross sections for dd-reactions, described as a product of the barrier factor and measured astrophysical S-factor, are σ dd n (E col =1.80 keV)=(4.3±2.6) x 10 -33 cm 2 ; σ dd n (E col =2.06 keV)=(9.8±4.6) x 10 -33 cm 2 ; σ dd n (E col =2.27 keV)=(2.1±0.6) x 10 -32 cm 2 . (orig.) [de

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

Raman Spectral Determination of Chemical Reaction Rate Characteristics

Science.gov (United States)

Balakhnina, I. A.; Brandt, N. N.; Mankova, A. A.; Chikishev, A. Yu.; Shpachenko, I. G.

2017-09-01

The feasibility of using Raman spectroscopy to determine chemical reaction rates and activation energies has been demonstrated for the saponification of ethyl acetate. The temperature dependence of the reaction rate was found in the range from 15 to 45°C.

Improvement of ACE inhibitory activity of casein hydrolysate by Maillard reaction with xylose.

Science.gov (United States)

Hong, Xu; Meng, Jun; Lu, Rong-Rong

2015-01-01

The Maillard reaction is widely used to improve the functional properties or biological activities of food. The purpose of this study was to investigate the effect of the Maillard reaction on angiotensin I converting enzyme (ACE) inhibitory activity in a casein hydrolysate-xylose system. Two-step hydrolysis was used to prepare casein ACE inhibitory peptides. Maillard reaction products (MRPs) were prepared by heating hydrolyzed casein with xylose at pH 8.0, 110 °C for up to 16 h. The results showed that the content of free amino group decreased (P Maillard reaction (P reaction in the MRPs. The study shows that the Maillard reaction under appropriate conditions can improve the ACE inhibitory activity of casein hydrolysate effectively. © 2014 Society of Chemical Industry.

Intermediate energy heavy ion reactions. A program for CELSIUS

International Nuclear Information System (INIS)

Jakobsson, B.

1986-02-01

The accelerator system under construction in Uppsala with the ECR-source + the K equals 200 synchrocyclotron + the CELSIUS synchrotron ring for storage, cooling and acceleration opens up possibilities for a very fruitful heavy ion physics program. Some recently obtained results and some recent ideas on intermediate energy reactions are discussed and speculations are made about some experiments where the unconventional qualities of CELSIUS beams could be utilized. (author)

Measurement of the 115In(n,γ)116 m In reaction cross-section at the neutron energies of 1.12, 2.12, 3.12 and 4.12 MeV

Science.gov (United States)

Lawriniang, Bioletty Mary; Badwar, Sylvia; Ghosh, Reetuparna; Jyrwa, Betylda; Vansola, Vibha; Naik, Haladhara; Goswami, Ashok; Naik, Yeshwant; Datrik, Chandra Shekhar; Gupta, Amit Kumar; Singh, Vijay Pal; Pol, Sudir Shibaji; Subramanyam, Nagaraju Balabenkata; Agarwal, Arun; Singh, Pitambar

2015-08-01

The 115In(n,γ)116 m In reaction cross section at neutron energies of 1.12, 2.12, 3.12 and 4.12 MeV was determined by using an activation and off-line γ-ray spectrometric technique. The monoenergetic neutron energies of 1.12 - 4.12 MeV were generated from the 7Li(p,n) reaction by using proton beam with energies of 3 and 4 MeV from the folded tandem ion beam accelerator (FOTIA) at Bhabha Atomic Research Centre (BARC) and with energies of 5 and 6 MeV from the Pelletron facility at Tata Institute of Fundamental Research (TIFR), Mumbai. The 197Au(n,γ)198Au reaction cross-section was used as the neutron flux monitor.The 115In(n,γ)116 m In reaction cross section at neutron energies of 1.12, 2.12, 3.12 and 4.12 MeV was determined by using an activation and off-line γ-ray spectrometric technique. The monoenergetic neutron energies of 1.12 - 4.12 MeV were generated from the 7Li(p,n) reaction by using proton beam with energies of 3 and 4 MeV from the folded tandem ion beam accelerator (FOTIA) at Bhabha Atomic Research Centre (BARC) and with energies of 5 and 6 MeV from the Pelletron facility at Tata Institute of Fundamental Research (TIFR), Mumbai. The 197Au(n,γ)198 Au reaction cross-section was used as the neutron flux monitor. The 115In(n,γ)116 m In reaction cross-sections at neutron energies of 1.12 - 4.12 MeV were compared with the literature data and were found to be in good agreement with one set of data, but not with others. The 115In(n,γ)116 m In cross-section was also calculated theoretically by using the computer code TALYS 1.6 and was found to be slightly lower than the experimental data from the present work and the literature.)198Au reaction cross-section was used as the neutron flux monitor. The 115In(n,γ)116 m In reaction cross-sections at neutron energies of 1.12 - 4.12 MeV were compared with the literature data and were found to be in good agreement with one set of data, but not with others. The 115In(n,γ)116 m In cross-section was also calculated

The decay of hot nuclei formed in La-induced reactions at intermediate energies

International Nuclear Information System (INIS)

Libby, B.; Mignerey, A.C.; Madani, H.; Marchetti, A.A.; Colonna, M.; DiToro, M.

1992-01-01

The decay of hot nuclei formed in lanthanum-induced reactions utilizing inverse kinematics has been studied from E/A = 35 to 55 MeV. At each bombarding energy studied, the probability for the multiple emission of complex fragments has been found to be independent of target. Global features (total charge, source velocity) of the reaction La + Al at E/A = 45 MeV have been reproduced by coupling a dynamical model to study the collision stage of the reaction to a statistical model of nuclear decay

On the ultrafast kinetics of the energy and electron transfer reactions in photosystem I

Energy Technology Data Exchange (ETDEWEB)

Slavov, Chavdar Lyubomirov

2009-07-09

The subject of the current work is one of the main participants in the light-dependent phase of oxygenic photosynthesis, Photosystem I (PS I). This complex carries an immense number of cofactors: chlorophylls (Chl), carotenoids, quinones, etc, which together with the protein entity exhibit several exceptional properties. First, PS I has an ultrafast light energy trapping kinetics with a nearly 100% quantum efficiency. Secondly, both of the electron transfer branches in the reaction center are suggested to be active. Thirdly, there are some so called 'red' Chls in the antenna system of PS I, absorbing light with longer wavelengths than the reaction center. These 'red' Chls significantly modify the trapping kinetics of PS I. The purpose of this thesis is to obtain better understanding of the above-mentioned, specific features of PS I. This will not merely cast more light on the mechanisms of energy and electron transfer in the complex, but also will contribute to the future developments of optimized artificial light-harvesting systems. In the current work, a number of PS I complexes isolated from different organisms (Thermosynechococcus elongatus, Chlamydomonas reinhardtii, Arabidopsis thaliana) and possessing distinctive features (different macroorganisation, monomers, trimers, monomers with a semibelt of peripheral antenna attached; presence of 'red' Chls) is investigated. The studies are primarily focused on the electron transfer kinetics in each of the cofactor branches in the PS I reaction center, as well as on the effect of the antenna size and the presence of 'red' Chls on the trapping kinetics of PS I. These aspects are explored with the help of several ultrafast optical spectroscopy methods: (i) time-resolved fluorescence ? single photon counting and synchroscan streak camera; and (ii) ultrafast transient absorption. Physically meaningful information about the molecular mechanisms of the energy trapping in PS I is

Fusion cross sections for 6,7Li + 24Mg reactions at energies below and above the barrier

International Nuclear Information System (INIS)

Ray, M.; Mukherjee, A.; Pradhan, M. K.; Kshetri, Ritesh; Sarkar, M. Saha; Dasmahapatra, B.; Palit, R.; Majumdar, I.; Joshi, P. K.; Jain, H. C.

2008-01-01

Measurement of fusion cross sections for the 6,7 Li + 24 Mg reactions by the characteristic γ-ray method has been done at energies from below to well above the respective Coulomb barriers. The fusion cross sections obtained from these γ-ray cross sections for the two systems are found to agree well with the total reaction cross sections at low energies. The relatively large difference between total cross sections and measured fusion cross sections at higher energies is consistent with the fact that other channels, in particular breakup, open up with an increase of bombarding energy. The breakup channel, however, appears not to have any influence on fusion cross sections. The critical angular momenta (l cr ) deduced from the fusion cross sections are found to have an energy dependence similar to other Li-induced reactions

2013 Gordon Research Conference, Inorganic reaction mechanisms, Galveston, TX, March 3-8 2013

Energy Technology Data Exchange (ETDEWEB)

Abu-Omar, Mahdi M. [Purdue Univ., West Lafayette, IN (United States)

2012-12-08

The 2013 Gordon Conference on Inorganic Reaction Mechanisms will present cutting-edge research on the molecular aspects of inorganic reactions involving elements from throughout the periodic table and state-of-the art techniques that are used in the elucidation of reaction mechanisms. The Conference will feature a wide range of topics, such as homogeneous and heterogeneous catalysis, metallobiochemistry, electron-transfer in energy reactions, polymerization, nitrogen fixation, green chemistry, oxidation, solar conversion, alkane functionalization, organotransition metal chemistry, and computational chemistry. The talks will cover themes of current interest including energy, materials, and bioinorganic chemistry. Sections cover: Electron-Transfer in Energy Reactions; Catalytic Polymerization and Oxidation Chemistry; Kinetics and Spectroscopy of Heterogeneous Catalysts; Metal-Organic Chemistry and its Application in Synthesis; Green Energy Conversion;Organometallic Chemistry and Activation of Small Molecules; Advances in Kinetics Modeling and Green Chemistry; Metals in Biology and Disease; Frontiers in Catalytic Bond Activation and Cleavage.

Compound nuclei, binary decay, and multifragmentation in intermediate-energy heavy-ion reactions

International Nuclear Information System (INIS)

Moretto, L.G.; Wozniak, G.J.

1988-07-01

Hot compound nuclei, frequently produced in intermediate-energy reactions through a variety of processes, are shown to be an important and at times dominant source of complex fragments. 13 refs., 12 figs

Development of various reaction abilities and their relationships with favorite play activities in preschool children.

Science.gov (United States)

Miyaguchi, Kazuyoshi; Demura, Shinich; Sugiura, Hiroki; Uchiyama, Masanobu; Noda, Masahiro

2013-10-01

This study examines the development of various reaction movements in preschool children and the relationship between reaction times and favorite play activities. The subjects were 167 healthy preschool children aged 4-6 (96 boys and 71 girls). This study focused on the reaction times of the upper limbs (reaction 1: release; reaction 2: press) and the whole body (reaction 3: forward jump). The activities frequently played in preschools are largely divided into dynamic play activities (tag, soccer, gymnastics set, dodge ball, and jump rope) and static play activities (drawing, playing house, reading, playing with sand, and building blocks). The subjects chose 3 of 10 cards picturing their favorite play activities, depicting 10 different activities. All intraclass correlation coefficients of measured reaction times were high (0.73-0.79). In addition, each reaction time shortened with age. Reaction 1 showed a significant and low correlation with reaction 3 (r = 0.37). The effect size of the whole body reaction time was the largest. Whole body reaction movement, which is largely affected by the exercise output function, develops remarkably in childhood. Children who liked "tag" were faster in all reaction times. The children who chose "soccer" were faster in reactions 2 and 3. In contrast, children who liked "playing house" tended to have slower reaction times. Dynamic activities, such as tag and soccer, promote development of reaction speed and agility in movements involving the whole body. Preschool teachers and physical educators should re-examine the effect of tag and use it periodically as one of the exercise programs to avoid unexpected falls and injuries in everyday life.

Rate coefficients for hydrogen abstraction reaction of pinonaldehyde

Indian Academy of Sciences (India)

The H abstraction reaction from the –CHO group was found to be the most dominant reaction channelamong all the possible reaction pathways and its corresponding rate coefficient at 300 K is kEckart's unsymmetrical= 3.86 ×10-10 cm3 molecule-1 s-1. Whereas the channel with immediate lower activation energy is the ...

Parameterization of pion production and reaction cross sections at LAMPF energies

International Nuclear Information System (INIS)

Burman, R.L.; Smith, E.S.

1989-05-01

A parameterization of pion production and reaction cross sections is developed for eventual use in modeling neutrino production by protons in a beam stop. Emphasis is placed upon smooth parameterizations for proton energies up to 800 MeV, for all pion energies and angles, and for a wide range of materials. The resulting representations of the data are well-behaved and can be used for extrapolation to regions where there are no measurements. 22 refs., 16 figs., 2 tabs

Applications of Skyrme energy-density functional to fusion reactions spanning the fusion barriers

International Nuclear Information System (INIS)

Liu Min; Wang, Ning; Li Zhuxia; Wu Xizhen; Zhao Enguang

2006-01-01

The Skyrme energy density functional has been applied to the study of heavy-ion fusion reactions. The barriers for fusion reactions are calculated by the Skyrme energy density functional with proton and neutron density distributions determined by using restricted density variational (RDV) method within the same energy density functional together with semi-classical approach known as the extended semi-classical Thomas-Fermi method. Based on the fusion barrier obtained, we propose a parametrization of the empirical barrier distribution to take into account the multi-dimensional character of real barrier and then apply it to calculate the fusion excitation functions in terms of barrier penetration concept. A large number of measured fusion excitation functions spanning the fusion barriers can be reproduced well. The competition between suppression and enhancement effects on sub-barrier fusion caused by neutron-shell-closure and excess neutron effects is studied

Enabling nucleophilic substitution reactions of activated alkyl fluorides through hydrogen bonding.

Science.gov (United States)

Champagne, Pier Alexandre; Pomarole, Julien; Thérien, Marie-Ève; Benhassine, Yasmine; Beaulieu, Samuel; Legault, Claude Y; Paquin, Jean-François

2013-05-03

It was discovered that the presence of water as a cosolvent enables the reaction of activated alkyl fluorides for bimolecular nucleophilic substitution reactions. DFT calculations show that activation proceeds through stabilization of the transition structure by a stronger F···H2O interaction and diminishing C-F bond elongation, and not simple transition state electrostatic stabilization. Overall, the findings put forward a distinct strategy for C-F bond activation through H-bonding.

Resonance capture reactions with a total energy detector

International Nuclear Information System (INIS)

Macklin, R.L.

1978-01-01

The determination of nuclear reaction rates is considered; the Moxon--Rae detector and pulse height weighting are reviewed. This method has been especially useful in measuring (n,γ) cross sections. Strength functions and level spacing can be derived from (n,γ) yields. The relevance of neutron capture data to astrophysical nucleosynthesis is pointed out. The total gamma energy detection method has been applied successfully to radiative neutron capture cross section measurements. A bibliography of most of the published papers reporting neutron capture cross sections measured by the pulse height weighting technique is included. 55 references

Generating Converged Accurate Free Energy Surfaces for Chemical Reactions with a Force-Matched Semiempirical Model.

Science.gov (United States)

Kroonblawd, Matthew P; Pietrucci, Fabio; Saitta, Antonino Marco; Goldman, Nir

2018-04-10

We demonstrate the capability of creating robust density functional tight binding (DFTB) models for chemical reactivity in prebiotic mixtures through force matching to short time scale quantum free energy estimates. Molecular dynamics using density functional theory (DFT) is a highly accurate approach to generate free energy surfaces for chemical reactions, but the extreme computational cost often limits the time scales and range of thermodynamic states that can feasibly be studied. In contrast, DFTB is a semiempirical quantum method that affords up to a thousandfold reduction in cost and can recover DFT-level accuracy. Here, we show that a force-matched DFTB model for aqueous glycine condensation reactions yields free energy surfaces that are consistent with experimental observations of reaction energetics. Convergence analysis reveals that multiple nanoseconds of combined trajectory are needed to reach a steady-fluctuating free energy estimate for glycine condensation. Predictive accuracy of force-matched DFTB is demonstrated by direct comparison to DFT, with the two approaches yielding surfaces with large regions that differ by only a few kcal mol -1 .

Universal trend for heavy-ion total reaction cross sections at energies above the Coulomb barrier

International Nuclear Information System (INIS)

Tavares, O.A.P.; Medeiros, E.L.; Morcelle, V.

2010-06-01

Heavy-ion total reaction cross section measurements for more than one thousand one hundred reaction cases covering 61 target nuclei in the range 6 Li- 238 U, and 158 projectile nuclei from 2 H up to 84 Kr (mostly exotic ones) have been analysed in a systematic way by using an empirical, three-parameter formula which is applicable to cases for projectile kinetic energies above the Coulomb barrier. The analysis has shown that the average total nuclear binding energy per nucleon of the interacting nuclei and their radii are the chief quantities which describe the cross section patterns. A great number of cross section data (87%) has been quite satisfactorily reproduced by the proposed formula, therefore total reaction cross section predictions for new, not yet experimentally investigated reaction cases can be obtained within 25 percent (or much less) of uncertainty (author)

Multiple scattering in the nuclear rearrangement reactions at medium energy

International Nuclear Information System (INIS)

Tekou, A.

1980-09-01

It is shown that the multiple scattering mechanism is very important in the transfer of the large momenta involved in the nuclear rearrangement reactions at medium energy. In contrast to the usual belief, the reaction cross-section is not very sensitive to the high momenta components of the nuclear wave function. The multiple scattering mechanism is especially important in 4 He(p,d) 3 He reaction around 800 MeV. Here the collisions involving two nucleons of the target nucleus are dominant. The triple collisions contribution is also important. The four collision contribution is negligible in the forward direction and sizeable at large angles. Thus, using the K.M.T. approach in DWBA calculations, the second order term of the optical potential must be included. So, is it not well established that the second term of the K.M.T. optical potential is important for the proton elastic scattering on light nuclei. (author)

Pauli-blocking effect in two-body collisions dominates the in-medium effects in heavy-ion reactions near Fermi energy

Energy Technology Data Exchange (ETDEWEB)

Xing, Yong-Zhong, E-mail: yzxing@tsnu.edu.cn [Institute for the Fundamental Physics, Tianshui Normal University, Gansu, Tianshui 741000 (China); Zhang, H.F. [Institute for the Fundamental Physics, Tianshui Normal University, Gansu, Tianshui 741000 (China); School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000 (China); Liu, Xiao-Bin [Institute for the Fundamental Physics, Tianshui Normal University, Gansu, Tianshui 741000 (China); Zheng, Yu-Ming [Institute for the Fundamental Physics, Tianshui Normal University, Gansu, Tianshui 741000 (China); China Institute of Atomic Energy, P.O. Box 275(18), Beijing 102413 (China)

2017-01-15

The dissipation phenomenon in the heavy-ion reaction at incident energy near Fermi energy is studied by simulating the reactions {sup 129}Xe + {sup 129}Sn and {sup 58}Ni + {sup 58}Ni with isospin-dependent quantum molecular dynamics model (IQMD). The isotropy ratio in terms of transverse and longitudinal energies of the free protons emitted in the final states of these reactions is quantitatively analyzed to explore the in-medium correlation of the binary collisions. Comparison of the calculations with the experimental data recently released by INDRA collaboration exhibits that the ratio is very sensitive to the Pauli blocking effect in two-body collisions and Pauli exclusion principle is indispensable in the theoretical simulations for the heavy-ion reactions near the Fermi energy.

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

Science.gov (United States)

Singh, Raman K; Tsuneda, Takao

2013-02-15

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

Investigations of (. cap alpha. ,. cap alpha. 'x) reactions up to 40 MeV/A bombarding energy

Energy Technology Data Exchange (ETDEWEB)

Machner, H [Kernforschungsanlage Juelich G.m.b.H. (Germany, F.R.). Inst. fuer Kernphysik; Feldmeier, H [ed.

1980-02-01

The angle integrated cross sections of continuous nucleon spectra from light ion induced reactions could be well reproduced within nonequilibrium statistical models. An extended exciton model even allows the calculations of angular distributions. Energy and linear momentum dissipation are treated with the help of a generalized master equation. The Exciton Coalescence Model (ECM) reproduces the angular distributions of complex particles emitted in nuclear reactions at moderate energies.

Contribution to the phenomenological study of two-body reactions at high energy; Contribution a l'etude phenomenologique des reactions a deux corps a haute energie

Energy Technology Data Exchange (ETDEWEB)

Cohen-Tannoudji, G [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1968-07-01

A phenomenological model suited for the description of arbitrary two-body reactions at high energies is presented and applied to the analysis of {pi} - nucleon, K - nucleon, et K-bar - nucleon scattering.The idea is that the Regge-pole model does not take into account the whole content of the unitarity relation and has to be modified, as is currently done in one-particle exchange models, so that it may include absorptive corrections.In terms of a rather economical set of free parameters,we obtain a satisfactory agreement with all available data, including the recent evidence for a nonvanishing polarization in {pi}{sup -} p {pi}{sup 0} n reaction. We then reinterpret our parametrization of the amplitudes in terms of poles and branch points in the complex angular-momentum plane for the crossed channel. (author) [French] Un modele phenomenologique adapte a la description des reactions a deux corps a haute energie est presente et applique a l'analyse des diffusions {pi} - nucleon, K - nucleon, et K-bar - nucleon. L'idee essentielle est que le modele d'echange de poles de Regge ne tient pas compte du contenu total de la relation d'unitarite et doit etre modifie, comme cela a ete propose dans le cas de l'echange de particules, de facon a tenir compte de corrections de type absortif. Au moyen d'un ensemble relativement economique de parametres libres nous obtenons un accord satisfaisant avec tous les resultats disponibles, y compris l'existence recemment mise en evidence d'une polarisation non nulle dans la reaction {pi}{sup -} p {pi}{sup 0} n. Nous interpretons notre fa n d'ecrire les amplitudes au moyen de poles et de points de branchement dans le plan complexe du moment angulaire pour la voie croisee. (auteur)

Energy Storage. Teachers Guide. Science Activities in Energy.

Science.gov (United States)

Jacobs, Mary Lynn, Ed.

Included in this science activities energy package for students in grades 4-10 are 12 activities related to energy storage. Each activity is outlined on the front and back of a single sheet and is introduced by a key question. Most of the activities can be completed in the classroom with materials readily available in any community. Among the…

Multifragmentation in intermediate energy 129Xe-induced heavy-ion reactions

International Nuclear Information System (INIS)

Tso, Kin.

1996-05-01

The 129 Xe-induced reactions on nat Cu, 89 Y, 165 Ho, and 197 Au at bombarding energies of E/A = 40 ampersand 60 MeV have been studied theoretically and experimentally in order to establish the underlying mechanism of multifragmentation at intermediate energy heavy-Ion collisions. Nuclear disks formed in central heavy-ion collisions, as simulated by means of Boltzmann-like kinetic equations, break up into several fragments due to a new kind of Rayleigh-like surface instability. A sheet of liquid, stable in the limit of non-interacting surfaces, is shown to become unstable due to surface-surface interactions. The onset of this instability is determined analytically. A thin bubble behaves like a sheet and is susceptible to the surface instability through the crispation mode. The Coulomb effects associated with the depletion of charges in the central cavity of nuclear bubbles are investigated. The onset of Coulomb instability is demonstrated for perturbations of the radial mode. Experimental intermediate-mass-fragment multiplicity distributions for the 129 Xe-induced reactions are shown to be binomial at each transverse energy. From these distributions, independent of the specific target, an elementary binary decay probability p can be extracted that has a thermal dependence. Thus it is inferred that multifragmentation is reducible to a combination of nearly independent emission processes. If sequential decay is assumed, the increase of p with transverse energy implies a contraction of the emission time scale. The sensitivity of p to the lower Z threshold in the definition of intermediate-mass-fragments points to a physical Poisson simulations of the particle multiplicities show that the weak auto-correlation between the fragment multiplicity and the transverse energy does not distort a Poisson distribution into a binomial distribution. The effect of device efficiency on the experimental results has also been studied

Chemisorption on size-selected metal clusters: activation barriers and chemical reactions for deuterium and aluminum cluster ions

International Nuclear Information System (INIS)

Jarrold, M.F.; Bower, J.E.

1988-01-01

The authors describe a new approach to investigating chemisorption on size-selected metal clusters. This approach involves investigating the collision-energy dependence of chemisorption using low-energy ion beam techniques. The method provides a direct measure of the activation barrier for chemisorption and in some cases an estimate of the desorption energy as well. They describe the application of this technique to chemisorption of deuterium on size-selected aluminum clusters. The activation barriers increase with cluster size (from a little over 1 eV for Al 10 + to around 2 eV for Al 27 + ) and show significant odd-even oscillations. The activation barriers for the clusters with an odd number of atoms are larger than those for the even-numbered clusters. In addition to chemisorption of deuterium onto the clusters, chemical reactions were observed, often resulting in cluster fragmentation. The main products observed were Al/sub n-1/D + , Al/sub n-2/ + , and Al + for clusters with n + and Al/sub n-1/D + for the larger clusters

Kinetic concepts of thermally stimulated reactions in solids

Science.gov (United States)

Vyazovkin, Sergey

Historical analysis suggests that the basic kinetic concepts of reactions in solids were inherited from homogeneous kinetics. These concepts rest upon the assumption of a single-step reaction that disagrees with the multiple-step nature of solid-state processes. The inadequate concepts inspire such unjustified anticipations of kinetic analysis as evaluating constant activation energy and/or deriving a single-step reaction mechanism for the overall process. A more adequate concept is that of the effective activation energy, which may vary with temperature and extent of conversion. The adequacy of this concept is illustrated by literature data as well as by experimental data on the thermal dehydration of calcium oxalate monohydrate and thermal decomposition of calcium carbonate, ammonium nitrate and 1,3,5,7- tetranitro-1,3,5,7-tetrazocine.

d-3He reaction measurements during fast wave minority heating in PLT

International Nuclear Information System (INIS)

Chrien, R.E.; Strachan, J.D.

1983-01-01

Time- and energy-resolved d- 3 He fusion reactions have been measured to infer the energy of the d + or He ++ minority ions heated near their cyclotron frequency by the magnetosonic fast wave. The average energy of the reacting 3 He ions during 3 He minority heating is in the range of 100 to 400 keV, as deduced from the magnitude of the reaction rate, its decay time, and the energy spread of the proton reaction products. The observed reaction rate and its scaling with wave power and electron density and temperature are in qualitative agreement with a radial reaction rate model using the minority distribution predicted from quasilinear velocity space diffusion. Oscillations in the reaction rate are observed concurrent with sawtooth and m = 2 MHD activity in the plasma

Proton transfer and unimolecular decay in the low-energy-reaction dynamics of H3O+ with acetone

International Nuclear Information System (INIS)

Creasy, W.R.; Farrar, J.M.

1983-01-01

The title reaction has been studied at collision energies of 0.83 and 2.41 eV. Direct reaction dynamics have been observed at both energies and an increasingly high fraction of the total energy appears in product translation as the collision energy increases. This result is consistent with the concept of induced repulsive energy release, which becomes more effective as trajectories sample the corner of the potential energy surface. At the higher collision energy, the protonated acetone cation undergoes two unimolecular decay channels: C-C bond cleavage to CH 3 CO + and CH 4 , and C-O bond cleavagto C 3 H 5 + (presumably to allyl cation) and H 2 O. The CH 3 CO + channel, endothermic relative to ground state protonated acetone cations by 0.74 eV, appears to liberate 0.4 eV in relative product translation while the C 3 H 5 + channel, endothermic by 2.17 eV, liberates only 0.07 eV in relative translation. These results are discussed in terms of the location on the reaction coordinate and magnitudes of potential energy barriers to 1,3-hydrogen atoms shifts which must precede the bond cleavage processes

Fluctuation-driven directional flow of energy in biochemical cycle: Electric activation of Na,K ATPase

Science.gov (United States)

Yow Tsong, Tian

1998-03-01

Na,K ATPase is an ion pump which uses chemical bond energy of ATP to pump Na ion out of, and K ion into living cell thus maintaining ionic and osmotic balances of the cell. Both are uphill transport reactions. Surprisingly we have found that electric energy can also substitute chemical energy to fuel the pump activity. However, in this case only electric fields of certain waveforms, amplitudes, and frequencies are effective. Waveform, amplitude and frequency are three elements of signal. In other words, Na,K ATPase can recognize, process, and harvest energy from an oscillating or a fluctuating electric field to drive an endergonic reaction. The enzyme is a molecular transducer of electric signal. This report will describe electric activation experiment to define electric signal. Electric signal will then mixed with electric noise of broad power spectrum for experiment. Effect of white noise (WN) on the efficiency of Na,K ATPase will be investigated. It will be shown that WN of appropriate power level can improve the pump efficiency when a sub-optimal electric field is used. WN can also carry a sub-threshold signal to cross over the threshold. Stochastic resonance will be discussed in reference to these observations.

Universal trend for heavy-ion total reaction cross sections at energies above the Coulomb barrier

Energy Technology Data Exchange (ETDEWEB)

Tavares, O.A.P.; Medeiros, E.L., E-mail: emil@cbpf.b [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil); Morcelle, V. [Universidade de Sao Paulo (IF/USP), SP (Brazil). Inst. de Fisica

2010-06-15

Heavy-ion total reaction cross section measurements for more than one thousand one hundred reaction cases covering 61 target nuclei in the range {sup 6}Li-{sup 238}U, and 158 projectile nuclei from {sup 2}H up to {sup 84}Kr (mostly exotic ones) have been analysed in a systematic way by using an empirical, three-parameter formula which is applicable to cases for projectile kinetic energies above the Coulomb barrier. The analysis has shown that the average total nuclear binding energy per nucleon of the interacting nuclei and their radii are the chief quantities which describe the cross section patterns. A great number of cross section data (87%) has been quite satisfactorily reproduced by the proposed formula, therefore total reaction cross section predictions for new, not yet experimentally investigated reaction cases can be obtained within 25 percent (or much less) of uncertainty (author)

Resonant Interaction, Approximate Symmetry, and Electromagnetic Interaction (EMI) in Low Energy Nuclear Reactions (LENR)

Science.gov (United States)

Chubb, Scott

2007-03-01

Only recently (talk by P.A. Mosier-Boss et al, in this session) has it become possible to trigger high energy particle emission and Excess Heat, on demand, in LENR involving PdD. Also, most nuclear physicists are bothered by the fact that the dominant reaction appears to be related to the least common deuteron(d) fusion reaction,d+d ->α+γ. A clear consensus about the underlying effect has also been illusive. One reason for this involves confusion about the approximate (SU2) symmetry: The fact that all d-d fusion reactions conserve isospin has been widely assumed to mean the dynamics is driven by the strong force interaction (SFI), NOT EMI. Thus, most nuclear physicists assume: 1. EMI is static; 2. Dominant reactions have smallest changes in incident kinetic energy (T); and (because of 2), d+d ->α+γ is suppressed. But this assumes a stronger form of SU2 symmetry than is present; d+d ->α+γ reactions are suppressed not because of large changes in T but because the interaction potential involves EMI, is dynamic (not static), the SFI is static, and because the two incident deuterons must have approximate Bose Exchange symmetry and vanishing spin. A generalization of this idea involves a resonant form of reaction, similar to the de-excitation of an atom. These and related (broken gauge) symmetry EMI effects on LENR are discussed.

Precise 238U(n,2n)237U reaction cross-section measurements using the activation facility at TUNL

Science.gov (United States)

Krishichayan, Fnu; Bhike, M.; Tornow, W.

2014-09-01

Accurate neutron-induced 238U(n,2n)237U reaction data are required for many practical applications, especially in the field of nuclear energy, including advanced heavy water reactors, where 238U is used as the breeding material to regenerate the fissile material 239Pu. Precise (n,2n) cross-section measurements of 238U are underway at TUNL with mono-energetic neutrons in the 8.0 to 14.0 MeV energy range in steps of 0.25 MeV using the activation technique. After activation of the 0.5 inch diameter and 442 mg 238U foil, the activity of the 208 keV characteristic γ-line is tracked for 6 weeks with a high efficient HPGe clover detector to determine the initial activity needed for the cross-section determination. Results of the cross-section measurements, determined relative to 27Al and 197Au neutron activation monitor foils, and the comparison with theoretical models will be presented during the meeting.

The Unimolecular Reactions of CF3CHF2 Studied by Chemical Activation: Assignment of Rate Constants and Threshold Energies to the 1,2-H Atom Transfer, 1,1-HF and 1,2-HF Elimination Reactions, and the Dependence of Threshold Energies on the Number of F-Atom Substituents in the Fluoroethane Molecules.

Science.gov (United States)

Smith, Caleb A; Gillespie, Blanton R; Heard, George L; Setser, D W; Holmes, Bert E

2017-11-22

The recombination of CF 3 and CHF 2 radicals in a room-temperature bath gas was used to prepare vibrationally excited CF 3 CHF 2 * molecules with 101 kcal mol -1 of vibrational energy. The subsequent 1,2-H atom transfer and 1,1-HF and 1,2-HF elimination reactions were observed as a function of bath gas pressure by following the CHF 3 , CF 3 (F)C: and C 2 F 4 product concentrations by gas chromatography using a mass spectrometer as the detector. The singlet CF 3 (F)C: concentration was measured by trapping the carbene with trans-2-butene. The experimental rate constants are 3.6 × 10 4 , 4.7 × 10 4 , and 1.1 × 10 4 s -1 for the 1,2-H atom transfer and 1,1-HF and 1,2-HF elimination reactions, respectively. These experimental rate constants were matched to statistical RRKM calculated rate constants to assign threshold energies (E 0 ) of 88 ± 2, 88 ± 2, and 87 ± 2 kcal mol -1 to the three reactions. Pentafluoroethane is the only fluoroethane that has a competitive H atom transfer decomposition reaction, and it is the only example with 1,1-HF elimination being more important than 1,2-HF elimination. The trend of increasing threshold energies for both 1,1-HF and 1,2-HF processes with the number of F atoms in the fluoroethane molecule is summarized and investigated with electronic-structure calculations. Examination of the intrinsic reaction coordinate associated with the 1,1-HF elimination reaction found an adduct between CF 3 (F)C: and HF in the exit channel with a dissociation energy of ∼5 kcal mol -1 . Hydrogen-bonded complexes between HF and the H atom migration transition state of CH 3 (F)C: and the F atom migration transition state of CF 3 (F)C: also were found by the calculations. The role that these carbene-HF complexes could play in 1,1-HF elimination reactions is discussed.

Analytical applications of ion/molecule reactions in a triple quadrupole mass spectrometer

International Nuclear Information System (INIS)

Kinter, M.T.

1986-01-01

The development of triple quadrupole mass spectrometers as a means of performing tandem mass spectrometry has provided a versatile instrument on which the ion/molecule reactions of a mass selected ion can be studied. This dissertation details the application of ion/molecule reactions in a triple quadrupole to two analytical problems. Part I. Ion/Molecule Reactions of Ammonia with Translationally Excited C 2 H 5 O + /Ions. The ability to impart low center-of-mass translational energies, which upon collision are converted into internal energy, allows the observation of reactions that require energy input. In addition, the systematic variation of the ion kinetic energy, often referred to as energy-resolved mass spectrometer, adds another dimension to the mass spectrum and can allow the observation of thresholds for reactions requiring energy input. This investigation develops methods for determining these thresholds. Part 2. The Use of Ion/Molecule Reactions in selected Reaction Monitoring GC/MSD/MS Analyses. An approach to improving the selectivity of an analysis is to improve the selectivity of the detection method. In GC/MS, one method has been to monitor a selected fragmentation reaction, either metastable or collisionally activated, in a selected reaction monitoring (SRM) analysis. This develops the use of ion/molecule reactions for selected reaction monitoring analyses

Contribution to the study of reactions induced by a low-energy He3 beam on a C12 target

International Nuclear Information System (INIS)

Schapira, Jean-Paul

1965-01-01

This research thesis reports the study concerning which reaction mode will better describe a nucleus in which the excitation energy is between two extremes. Due to experimental considerations and abilities, this study focuses on light target nuclei and carbon 12. The author describes experimental techniques used for angular distributions (targets, detection system), describes the experimental techniques for activation experiments (experimental set-up, targets, measurement of relative efficient cross section, result analysis, measurement of absolute efficient cross section). The author discusses the experimental results (excitation functions and angular distributions) and the interpretation of elastic scattering results (theoretical background, computation approach, analysis of elastic scattering) and the results of the C 12 (He 3 , α)C 11 reaction [fr

Hot nuclei production and deexcitation in heavy ions induced reactions on medium mass targets in the 10-84 MeV/nucleon energy domain

International Nuclear Information System (INIS)

Lleres, A.

1988-01-01

Velocity, angular distributions and total cross sections for heavy residues produced in the reactions 12 C, 14 N, 20 Ne, 40 Ar + 124 Sn have been measured in the 10-84 MeV/nucleon incident energy range using catchers technique in association with off-line gamma-activity spectroscopy. The observed reaction products are interpreted as evaporation residues from equilibrated systems formed by complete or incomplete fusion of the projectile and target nuclei. From the velocities and residual masses measured at forward angles, the linear momentum transfers and excitation energies associated with the intermediate systems are estimated using simple fusion-evaporation models and are next compared to the predictions of the preequilibrium and Fermi jets models. Energy, angular, charge and charge correlation distributions for intermediate mass fragments emitted in the reaction 32 S + nat Ag at 30 MeV/nucleon were also measured using gaseous and silicon detectors. The energy and angular distributions indicate that both equilibrated and non-equilibrated emitting sources are present. The equilibrium emission is attributed to the deexcitation of systems produced by incomplete fusion of the projectile and target nuclei. The charge correlation distributions are consistent with an asymmetric fission decay process. The linear momentum transfer and excitation energy associated with the equilibrated source are estimated using a simple fusion-fission model [fr

Reaction Hamiltonian and state-to-state description of chemical reactions

International Nuclear Information System (INIS)

Ruf, B.A.; Kresin, V.Z.; Lester, W.A. Jr.

1985-08-01

A chemical reaction is treated as a quantum transition from reactants to products. A specific reaction Hamiltonian (in second quantization formalism) is introduced. The approach leads to Franck-Condon-like factor, and adiabatic method in the framework of the nuclear motion problems. The influence of reagent vibrational state on the product energy distribution has been studied following the reaction Hamiltonian method. Two different cases (fixed available energy and fixed translational energy) are distinguished. Results for several biomolecular reactions are presented. 40 refs., 5 figs

Explore the reaction mechanism of the Maillard reaction: a density functional theory study.

Science.gov (United States)

Ren, Ge-Rui; Zhao, Li-Jiang; Sun, Qiang; Xie, Hu-Jun; Lei, Qun-Fang; Fang, Wen-Jun

2015-05-01

The mechanism of Maillard reaction has been investigated by means of density functional theory calculations in the gaseous phase and aqueous solution. The Maillard reaction is a cascade of consecutive and parallel reaction. In the present model system study, glucose and glycine were taken as the initial reactants. On the basis of previous experimental results, the mechanisms of Maillard reaction have been proposed, and the possibility for the formation of different compounds have been evaluated through calculating the relative energy changes for different steps of reaction under different pH conditions. Our calculations reveal that the TS3 in Amadori rearrangement reaction is the rate-determining step of Maillard reaction with the activation barriers of about 66.7 and 68.8 kcal mol(-1) in the gaseous phase and aqueous solution, respectively. The calculation results are in good agreement with previous studies and could provide insights into the reaction mechanism of Maillard reaction, since experimental evaluation of the role of intermediates in the Maillard reaction is quite complicated.

Highly Stable and Active Catalyst for Sabatier Reactions

Science.gov (United States)

Hu, Jianli; Brooks, Kriston P.

2012-01-01

Highly active Ru/TiO2 catalysts for Sabatier reaction have been developed. The catalysts have shown to be stable under repeated shutting down/startup conditions. When the Ru/TiO2 catalyst is coated on the engineered substrate Fe-CrAlY felt, activity enhancement is more than doubled when compared with an identically prepared engineered catalyst made from commercial Degussa catalyst. Also, bimetallic Ru-Rh/TiO2 catalysts show high activity at high throughput.

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.

Determination of {sup 55}Mn(n,γ){sup 56}Mn reaction cross-section at the neutron energies of 1.12, 2.12, 3.12 and 4.12 MeV

Energy Technology Data Exchange (ETDEWEB)

Vansola, Vibha; Mukherjee, Surjit [M.S. University of Baroda, Vadodara (India). Dept. of Physics; Naik, Haladhara [Bhabha Atomic Research Center, Mumbai (India). Radiochemistry Div.; Suryanarayana, Saraswatula Venkata [Bhabha Atomic Research Center, Mumbai (India). Nuclear Physics Div.; Ghosh, Reetuparna; Badwar, Sylvia; Lawriniang, Bioletty Mary [North Eastern Hill Univ., Meghalaya (India). Dept. of Physics; Sheela, Yerraguntla Santhi [Manipal Univ. (India). Dept. of Statistics

2016-07-01

The {sup 55}Mn(n,γ){sup 56}Mn reaction cross-sections at the neutron energies of 1.12, 2.12, 3.12 and 4.12 MeV were determined by using activation and off-line γ-ray spectrometric technique. The neutron energies of 1.12 and 2.12 MeV were generated from the {sup 7}Li(p,n) reaction by using the proton energies of 3 and 4 MeV from the folded tandem ion beam accelerator (FOTIA) at BARC. For the neutron energies of 3.12 and 4.12 MeV, the proton energies used were 5 and 6 MeV from the Pelletron facility at TIFR, Mumbai. The {sup 115}In(n,γ){sup 116m}In reaction cross-section was used as the neutron flux monitor. The {sup 55}Mn(n,γ){sup 56}Mn reaction cross-section at the neutron energies of 4.12 MeV are reported for the first time, whereas at 1.12, 2.12 and 3.12 MeV, they are in between the literature data. The {sup 55}Mn(n,γ){sup 56}Mn reaction cross-section was also calculated theoretically by using the computer code TALYS 1.6 and EMPIRE 3.2.2. The experimental data of present work are found to be in between the theoretical values of TALYS and EMPIRE.

A method for investigation of the D(4He, γ)6Li reaction in the Ultralow energy region under a high background

Science.gov (United States)

Bystritsky, V. M.; Dudkin, G. N.; Krylov, A. R.; Gazi, S.; Huran, J.; Nechaev, B. A.; Padalko, V. N.; Sadovsky, A. B.; Tuleushev, Yu. Zh.; Filipowicz, M.; Philippov, A. V.

2016-07-01

The cosmological lithium problem, that is, a noticeable discrepancy between the predicted and observed abundances of lithium, is in conflict with the Standard Big Bang Nucleosynthesis model. For example, the abundance of 7Li is 2-4 times smaller than predicted by the Standard Big Bang Nucleosynthesis. As to the abundance of 6Li, recent more accurate optical investigations have yielded only the upper limit on the 6Li/7Li ratio, which makes the problem of 6Li abundance and accordingly of disagreement with the Standard Big Bang Nucleosynthesis predictions less acute. However, experimental study of the D(4He, γ)6Li reaction cross section is still of current importance because there is a theoretical approach predicting its anomalously large value in the region of energies below the Standard Big Bang Nucleosynthesis energy. The work is dedicated to the measurement of the cross section for the D(4He, γ)6Li reaction proceeding in zirconium deuteride at the incident 4He+ion energy of 36 keV. The experiment is performed at a pulsed Hall plasma accelerator with an energy spread of 20% FWHM. A method for direct measurement of the background from the reaction chain D(4He, 4He)D→D(D, n)3He→(n, γ) and/or (n, n‧γ) ending with activation of the surrounding material by neutrons is proposed and implemented in the work. An upper limit on the D(4He, γ)6Li reaction cross section σ≤7·10-36 cm2 at the 90% confidence level is obtained.

Neutralization of methyl cation via chemical reactions in low-energy ion-surface collisions with fluorocarbon and hydrocarbon self-assembled monolayer films.

Science.gov (United States)

Somogyi, Arpád; Smith, Darrin L; Wysocki, Vicki H; Colorado, Ramon; Lee, T Randall

2002-10-01

Low-energy ion-surface collisions of methyl cation at hydrocarbon and fluorocarbon self-assembled monolayer (SAM) surfaces produce extensive neutralization of CH3+. These experimental observations are reported together with the results obtained for ion-surface collisions with the molecular ions of benzene, styrene, 3-fluorobenzonitrile, 1,3,5-triazine, and ammonia on the same surfaces. For comparison, low-energy gas-phase collisions of CD3+ and 3-fluorobenzonitrile molecular ions with neutral n-butane reagent gas were conducted in a triple quadrupole (QQQ) instrument. Relevant MP2 6-31G*//MP2 6-31G* ab initio and thermochemical calculations provide further insight in the neutralization mechanisms of methyl cation. The data suggest that neutralization of methyl cation with hydrocarbon and fluorocarbon SAMs occurs by concerted chemical reactions, i.e., that neutralization of the projectile occurs not only by a direct electron transfer from the surface but also by formation of a neutral molecule. The calculations indicate that the following products can be formed by exothermic processes and without appreciable activation energy: CH4 (formal hydride ion addition) and C2H6 (formal methyl anion addition) from a hydrocarbon surface and CH3F (formal fluoride addition) from a fluorocarbon surface. The results also demonstrate that, in some cases, simple thermochemical calculations cannot be used to predict the energy profiles because relatively large activation energies can be associated with exothermic reactions, as was found for the formation of CH3CF3 (formal addition of trifluoromethyl anion).

High energy nuclear reactions ('Spallation') and their application in calculation of the Acceleration Driven Systems (ADS)

International Nuclear Information System (INIS)

Rossi, Pedro Carlos Russo

2011-01-01

This work presents a study of high energy nuclear reactions which are fundamental to dene the source term in accelerator driven systems. These nuclear reactions, also known as spallation, consist in the interaction of high energetic hadrons with nucleons in the atomic nucleus. The phenomenology of these reactions consist in two step. In the rst, the proton interacts through multiple scattering in a process called intra-nuclear cascade. It is followed by a step in which the excited nucleus, coming from the intranuclear cascade, could either, evaporates particles to achieve a moderate energy state or fission. This process is known as competition between evaporation and fission. In this work the main nuclear models, Bertini and Cugnon are reviewed, since these models are fundamental for design purposes of the source term in ADS, due to lack of evaluated nuclear data for these reactions. The implementation and validation of the calculation methods for the design of the source is carried out to implement the methodology of source design using the program MCNPX (Monte Carlo N-Particle eXtended), devoted to calculation of transport of these particles and the validation performed by an international cooperation together with a Coordinated Research Project (CRP) of the International Atomic Energy Agency and available jobs, in order to qualify the calculations on nuclear reactions and the de-excitation channels involved, providing a state of the art of design and methodology for calculating external sources of spallation for source driven systems. The CRISP, is a brazilian code for the phenomenological description of the reactions involved and the models implemented in the code were reviewed and improved to continue the qualification process. Due to failure of the main models in describing the production of light nuclides, the multifragmentation reaction model was studied. Because the discrepancies in the calculations of production of these nuclides are attributes to the

Energy dependence of the 3He(3He,π+)6Li reaction

International Nuclear Information System (INIS)

Le Bornec, Y.; Hibou, F.; Bimbot, L.; Hennino, T.; Jourdain, J.C.; Reide, F.; Tatischeff, B.; Willis, N.; Aslanides, E.; Bergdolt, G.; Fassnacht, P.; Racca, C.; Boudard, A.; Bruge, G.; Lugol, J.C.

1983-01-01

The 3 He( 3 He, π + ) 6 Li reaction has been studied as a function of energy using the 3 He beam at SATURNE. Cross sections for the 6 Li ground state (1 + ) and 2.18 MeV (3 + ) levels have been obtained at 350, 420, 500 and 600 MeV incident energies at angles THETAsub(π)(lab)=15 0 and 40 0 . These results are compared with two theoretical predictions. (orig.)

Enhancing chemical reactions

Science.gov (United States)

Morrey, John R.

1978-01-01

Methods of enhancing selected chemical reactions. The population of a selected high vibrational energy state of a reactant molecule is increased substantially above its population at thermal equilibrium by directing onto the molecule a beam of radiant energy from a laser having a combination of frequency and intensity selected to pump the selected energy state, and the reaction is carried out with the temperature, pressure, and concentrations of reactants maintained at a combination of values selected to optimize the reaction in preference to thermal degradation by transforming the absorbed energy into translational motion. The reaction temperature is selected to optimize the reaction. Typically a laser and a frequency doubler emit radiant energy at frequencies of .nu. and 2.nu. into an optical dye within an optical cavity capable of being tuned to a wanted frequency .delta. or a parametric oscillator comprising a non-centrosymmetric crystal having two indices of refraction, to emit radiant energy at the frequencies of .nu., 2.nu., and .delta. (and, with a parametric oscillator, also at 2.nu.-.delta.). Each unwanted frequency is filtered out, and each desired frequency is focused to the desired radiation flux within a reaction chamber and is reflected repeatedly through the chamber while reactants are fed into the chamber and reaction products are removed therefrom.

Parameterization of α-nucleus total reaction cross section at intermediate energies

International Nuclear Information System (INIS)

Alvi, M A; Abdulmomen, M A

2008-01-01

Applying a Coulomb correction factor to the Glauber model we have derived a closed expression for α-nucleus total reaction cross section, σ R . Under the approximation of rigid projectile model, the elastic S-matrix element S el (b) is evaluated from the phenomenological N-α amplitude and a Gaussian fit to the Helm's model form factor. Excellent agreements with the experimental data have been achieved by performing two-parameter fits to the α-nucleus σ R data in the energy range about 75 to 193 MeV. One of the parameters was found to be energy independent while the other, as expected, shows the energy dependence similar to that of N-α total cross section.

Direct reactions in inverse kinematics for nuclear structure studies far off stability at low incident energies

International Nuclear Information System (INIS)

Egelhof, P.

1997-02-01

The investigation of light-ion induced direct reactions with exotic beams in inverse kinematics gives access to a wide field of nuclear structure studies in the region far off stability. The present contribution will focus on the investigation of few-nucleon transfer reactions, which turn out to be most favourably studied with good-quality low-energy radioactive beams, as provided by the new generation of radioactive beam facilities presently planned or under construction at Caen, Grenoble, Munich, and elsewhere. An overview on the physics motivation, basically concerning nuclear structure and nuclear astrophysics questions, is given. Of particular interest are the nuclear shell model in the region far off stability, the two-body residual interaction in nuclei, the structure of halo nuclei, as well as the understanding of the r-process scenario. The experimental conditions, along with the experimental concept, for such measurements are discussed with particular emphasis on the kinematical conditions, the observables, as well as the appropriate detection schemes. The concept of a large solid angle TPC ionization chamber as an active target for experiments with low-energy radioactive beams is presented. It turns out to be a highly effective detection scheme, well suited for the present experimental conditions, at least for light exotic beams up to Z∼20. (orig.)

A phenomenological study of the π- p → π0 n charge exchange reaction at high energy

International Nuclear Information System (INIS)

Michaud, Y.

1995-01-01

The aim of the study was to examine the behaviour of the proton-proton elastic scattering, for mass center energies around 10 GeV, and more especially to study the charge exchange reaction π - p → π 0 n for mass center energies between 3 and 20 GeV. A formalism based on the Glauber model has been used, and a Regge trajectory exchange term was introduced in the model in order to enable the description of the lower energy domain (inferior to 10 GeV) that is characterized by a large contribution of meson exchanges at the scattering amplitude. The Glauber model is then applied to the charge exchange reaction and the differential cross section is analyzed for a center mass energy comprised between 3 and 20 GeV, together with the polarization at 40 GeV/c. The approach is then validated through the study of the π - p → η n reaction. The size of the kernel of proton and pion components implied in the π - p → π 0 n reaction, is also investigated. 90 refs., 48 figs., 4 tabs., 5 appends

Probing the Energy Transfer Dynamics of Photosynthetic Reaction Center Complexes Through Hole-Burning and Single-Complex Spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Riley, Kerry Joseph [Iowa State Univ., Ames, IA (United States)

2007-01-01

Photosynthesis is the process by which light energy is used to drive reactions that generate sugars to supply energy for cellular processes. It is one of the most important fundamental biological reactions and occurs in both prokaryotic (e.g. bacteria) and eukaryotic (e.g. plants and algae) organisms. Photosynthesis is also remarkably intricate, requiring the coordination of many different steps and reactions in order to successfully transform absorbed solar energy into a biochemical usable form of energy. However, the net reaction for all photosynthetic organisms can be reduced to the following, deceptively general, equation developed by Van Niel[1] H₂ - D + A_implies^hv A - H₂ + D where H₂-D is the electron donor, e.g. H₂O, H₂S. A is the electron acceptor, e.g. CO₂, and A-H₂ is the synthesized sugar. Amazingly, this simple net equation is responsible for creating the oxidizing atmosphere of Earth and the recycling of CO₂, both of which are necessary for the sustainment of the global ecosystem.

Considering a Threshold Energy in Reactive Transport Modeling of Microbially Mediated Redox Reactions in an Arsenic-Affected Aquifer

Directory of Open Access Journals (Sweden)

Marco Rotiroti

2018-01-01

Full Text Available The reductive dissolution of Fe-oxide driven by organic matter oxidation is the primary mechanism accepted for As mobilization in several alluvial aquifers. These processes are often mediated by microorganisms that require a minimum Gibbs energy available to conduct the reaction in order to sustain their life functions. Implementing this threshold energy in reactive transport modeling is rarely used in the existing literature. This work presents a 1D reactive transport modeling of As mobilization by the reductive dissolution of Fe-oxide and subsequent immobilization by co-precipitation in iron sulfides considering a threshold energy for the following terminal electron accepting processes: (a Fe-oxide reduction, (b sulfate reduction, and (c methanogenesis. The model is then extended by implementing a threshold energy on both reaction directions for the redox reaction pairs Fe(III reduction/Fe(II oxidation and methanogenesis/methane oxidation. The optimal threshold energy fitted in 4.50, 3.76, and 1.60 kJ/mol e− for sulfate reduction, Fe(III reduction/Fe(II oxidation, and methanogenesis/methane oxidation, respectively. The use of models implementing bidirectional threshold energy is needed when a redox reaction pair can be transported between domains with different redox potentials. This may often occur in 2D or 3D simulations.

Free energy of activation. Definition, properties, and dependent variables with special reference to linear free energy relations

International Nuclear Information System (INIS)

Levine, R.D.

1979-01-01

The reaction rate constant is expressed as Z exp(-G/sub a//RT). Z is the binary collision frequency. G/sub a/, the free energy of activation, is shown to be the difference between the free energy of the reactive reactants and the free energy of all reactants. The results are derived from both a statistical mechanical and a collision theoretic point of view. While the later is more suitable for an ab-initio computation of the reaction rate, it is the former that lends itself to the search of systematics and of correlations and to compaction of data. Different thermodynamic-like routes to the characterization of G/sub a/ are thus explored. The two most promising ones appear to be the use of thermodynamic type cycles and the changes of dependent variables using the Legendre transform technique. The dependence of G/sub a/ on ΔG 0 , the standard free energy change in the reaction, is examined from the later point of view. It is shown that one can rigorously express this dependence as G/sub a/ = αΔG 0 + G/sub a/ 0 M(α). Here α is the Bronsted slope, α = -par. delta ln k(T)/par. delta(ΔG 0 /RT), G/sub a/ 0 is independent of ΔG 0 and M(α), the Legendre transform of G/sub a/, is a function only of α. For small changes in ΔG 0 , the general result reduces to the familiar ''linear'' free energy relation delta G/sub a/ = α delta ΔG 0 . It is concluded from general considerations that M(α) is a symmetric, convex function of α and hence that α is a monotonically increasing function of ΔG 0 . Experimental data appear to conform well to the form α = 1/[1 + exp(-ΔG 0 /G/sub s/ 0 )]. A simple interpretation of the ΔG 0 dependence of G/sub a/, based on an interpolation of the free energy from that of the reagents to that of the products, is offered. 4 figures, 69 references

Bombarding energy dependence of nucleon exchange and energy dissipation in the strongly damped reaction 209Bi + 136Xe

International Nuclear Information System (INIS)

Wilcke, W.W.; Schroeder, W.U.; Huizenga, J.R.; Birkelund, J.R.; Randrup, J.

1980-01-01

Although considerable progress has been achieved in the understanding of strongly damped reactions at energies several MeV/u above the Coulomb barrier, some important experimental results are not yet clearly understood. Among these is the degree of correlation between the nucleon exchange and the large energy losses observed. Experimental evidence suggesting nucleon exchange as described by a one-body model to be the major component of the dissipation mechanism is discussed. It is concluded that the previously unexplained bombarding energy dependence between energy loss and fragment charge dispersion can be understood on the basis of a nucleon exchange model, provided the Pauli exclusion principle is taken into account. No necessity is seen to invoke further energy dissipation mechanisms. 7 figures

Measurement and analysis of high energy radiation through activation detectors. Application in dosimetry; Sur la mesure et l'analyse des rayonnements de haute energie par detecteurs a activation. Application a la dosimetrie

Energy Technology Data Exchange (ETDEWEB)

Sklavenitis, L [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1967-10-15

This work is concerned with the possibility of measurement and analysis of radiation fluences within objects of small volume submitted to a high energy proton beam. The first part, consecrated to the establishment of a method of analysis, comprises a detailed study of the radiation nature and energy spectra as well as of the various dosimetry methods. In order to select a group of detectors, high energy nuclear reactions were systematically studied and for some of them cross sections were measured or calculated: for example the cross section of the reaction {sup 11}B (p,n) {sup 11}C between 150 and 3000 MeV and of the reaction {sup 34}S (p,2pn) {sup 32}P between 50 and 3000 MeV. The second part is relative to the application of the fore-mentioned analysis to radiation within a tissue equivalent phantom irradiated by 3 GeV protons. This analysis is sufficiently detailed to allow the reconstitution of the absorbed doses, the dose equivalent and, contingent on a better knowledge of the dose due to heavy particles, the quality factors. It allowed also to follow the evolution of the various dosimetric data as a function of the depth inside the phantom and to verify calculations already done by other researchers. The comparison of the measured doses and the corresponding detector activities revealed the possibility that some detectors could give directly the absorbed dose, or even the dose equivalent, by a simple activity measurement. (author) [French] Le travail porte sur la possibilite de mesure et d'analyse, a l'aide de detecteurs a activation, des fluences de rayonnements a l'interieur d'un objet de petit volume soumis a un faisceau de protons de tres haute energie. La premiere partie, consacree a la mise au point de la methode d'analyse des fluences, comporte une etude detaillee de la nature des rayonnements et de leurs spectres energetiques ainsi que des differentes methodes de dosimetrie. Pour arriver au choix d'un groupe de detecteurs, une etude systematique des

Contribution to the study of nuclear reaction analysis with low energy alpha particles (<=3,5 MeV). Comparative study of Ag non destructive nuclear reaction determination in numismatology

International Nuclear Information System (INIS)

Basutcu, Mehmet.

1980-12-01

The first part of this work concerns the development of the new analytical possibilities offered by gamma spectrometry with a beam of low energy alpha particles. With this method twenty five elements can be analyzed by non-destructive methods. Special attention is given to the determination of light elements such as lithium, boron, fluorine and sodium. The reactions brought about by the low energy alpha particles on light elements are (α,n), (α,p) or (α,α') type reactions. The various applications developed are presented after the description of the experimental conditions and the method used for calculating the contents. The problems related to the calibration, accuracy and exactness of the determinations are also discussed. The second part is about the contribution of nuclear analysis methods and of X-ray fluorescence in the field of numismatic research. Attention is focused solely on the determination of the major ingredients of coins, silver in particular. The results provided by proton activation, neutron activation in a flux of 'thermalized' neutrons of a 252 Cf isotopic source on the one hand, and by the fast neutrons of the cyclotron on the other, by gamma spectrometry under a beam of protons and alpha particles and by X-ray fluorescence are thus compared for the same analytical problem in order to grasp in a better manner the specificity of each method and to bring into evidence the complementarity they present [fr

Measurement of flux-weighted average cross-sections and isomeric yield ratios for {sup 103}Rh(γ, xn) reactions in the bremsstrahlung end-point energies of 55 and 60 MeV

Energy Technology Data Exchange (ETDEWEB)

Shakilur Rahman, Md.; Kim, Kwangsoo; Kim, Guinyun; Nadeem, Muhammad; Thi Hien, Nguyen; Shahid, Muhammad [Kyungpook National University, Department of Physics, Daegu (Korea, Republic of); Naik, Haladhara [Bhabha Atomic Research Centre, Radiochemistry Division, Mumbai (India); Yang, Sung-Chul; Cho, Young-Sik; Lee, Young-Ouk [Korea Atomic Energy Research Institute, Nuclear Data Center, Daejeon (Korea, Republic of); Shin, Sung-Gyun; Cho, Moo-Hyun [Pohang University of Science and Technology, Division of Advanced Nuclear Engineering, Pohang (Korea, Republic of); Woo Lee, Man; Kang, Yeong-Rok; Yang, Gwang-Mo [Dongnam Institute of Radiological and Medical Science, Research Center, Busan (Korea, Republic of); Ro, Tae-Ik [Dong-A University, Department of Materials Physics, Busan (Korea, Republic of)

2016-07-15

We measured the flux-weighted average cross-sections and the isomeric yield ratios of {sup 99m,g,100m,g,101m,g,102m,g}Rh in the {sup 103}Rh(γ, xn) reactions with the bremsstrahlung end-point energies of 55 and 60 MeV by the activation and the off-line γ-ray spectrometric technique, using the 100 MeV electron linac at the Pohang Accelerator Laboratory (PAL), Korea. The flux-weighted average cross-sections were calculated by using the computer code TALYS 1.6 based on mono-energetic photons, and compared with the present experimental data. The flux-weighted average cross-sections of {sup 103}Rh(γ, xn) reactions in intermediate bremsstrahlung energies are the first time measurement and are found to increase from their threshold value to a particular value, where the other reaction channels open up. Thereafter, it decreases with bremsstrahlung energy due to its partition in different reaction channels. The isomeric yield ratios (IR) of {sup 99m,g,100m,g,101m,g,102m,g}Rh in the {sup 103}Rh(γ, xn) reactions from the present work were compared with the literature data in the {sup 103}Rh(d, x), {sup 102-99}Ru(p, x), {sup 103}Rh(α, αn), {sup 103}Rh(α, 2p3n), {sup 102}Ru({sup 3}He, x), and {sup 103}Rh(γ, xn) reactions. It was found that the IR values of {sup 102,101,100,99}Rh in all these reactions increase with the projectile energy, which indicates the role of excitation energy. At the same excitation energy, the IR values of {sup 102,101,100,99}Rh are higher in the charged particle-induced reactions than in the photon-induced reaction, which indicates the role of input angular momentum. (orig.)

A phenomenological study of the {pi}{sup -} p {yields} {pi}{sup 0} n charge exchange reaction at high energy; Etude phenomenologique de la reaction d`echange de charge {pi}{sup -} p {yields} {pi}{sup 0} n a haute energie

Energy Technology Data Exchange (ETDEWEB)

Michaud, Y

1995-09-21

The aim of the study was to examine the behaviour of the proton-proton elastic scattering, for mass center energies around 10 GeV, and more especially to study the charge exchange reaction {pi}{sup -} p {yields} {pi}{sup 0} n for mass center energies between 3 and 20 GeV. A formalism based on the Glauber model has been used, and a Regge trajectory exchange term was introduced in the model in order to enable the description of the lower energy domain (inferior to 10 GeV) that is characterized by a large contribution of meson exchanges at the scattering amplitude. The Glauber model is then applied to the charge exchange reaction and the differential cross section is analyzed for a center mass energy comprised between 3 and 20 GeV, together with the polarization at 40 GeV/c. The approach is then validated through the study of the {pi}{sup -} p {yields} {eta} n reaction. The size of the kernel of proton and pion components implied in the {pi}{sup -} p {yields} {pi}{sup 0} n reaction, is also investigated. 90 refs., 48 figs., 4 tabs., 5 appends.

Final stage of high energy hadron-nucleus nuclear collision reactions

International Nuclear Information System (INIS)

Strugal'ski, Z.; Jedrzejec, H.; Strugalska-Gola, E.; Mulas, E.

1996-01-01

The final or 'slow' stage of the hadron-nucleus collision reactions at high energy is considered on the basis of the collision mechanism prompted experimentally. The transmutation process of the damaged target nucleus into nucleons and stable nuclear fragments is discussed. Relations between intensities or multiplicities n p of the emitted fast protons and the mean intensities or multiplicities b > of the evaporated nucleons and nuclear fragments are presented. 14 refs

Measurement of {sup 197}Au(n,γ){sup 198g}Au reaction cross-section at the neutron energies of 1.12, 2.12, 3.12 and 4.12 MeV

Energy Technology Data Exchange (ETDEWEB)

Vansola, Vibha [M.S. Univ., Baroda (India). Dept. of Physics; Ghosh, Reetuparna; Badwar, Sylvia [North Eastern Hill Univ., Meghalaya (India). Dept. of Physics; and others

2015-07-01

The {sup 197}Au(n,γ){sup 198}Au reaction cross-sections at the neutron energies of 1.12, 2.12, 3.12 and 4.12 MeV were determined by using activation and off-line γ-ray spectrometric technique. The mono-energetic neutron energies of 1.12-4.12 MeV were generated from the {sup 7}Li(p,n) reaction by using the proton energies of 3 and 4 MeV from the folded tandem ion beam accelerator (FOTIA) at BARC as well as 5 and 6 MeV from the Pelletron facility at TIFR, Mumbai. The {sup 115}In(n,γ){sup 116m}In reaction cross-section was used as the neutron flux monitor. The {sup 197}Au(n,γ){sup 198}Au reaction cross-section at the neutron energies of 3.12 and 4.12 MeV are reported for the first time. The {sup 197}Au(n,γ){sup 198}Au reaction cross-sections at 1.12 and 2.12 MeV are close to the literature data of in between neutron energies. The {sup 197}Au(n,γ){sup 198}Au cross-section was also calculated theoretically by using the computer code TALYS 1.6 and found to be higher than the experimental data of present work and literature data within the neutron energies of 0.8 to 4 MeV.

Boosting the performance of the nickel anode in the oxygen evolution reaction by simple electrochemical activation

Energy Technology Data Exchange (ETDEWEB)

Shinagawa, Tatsuya; Ng, Marcus Tze-Kiat; Takanabe, Kazuhiro [King Abdullah Univ. of Science and Technology (KAUST), KAUST Catalysis Center (KCC) and Physical Sciences and Engineering Div. PSE, Thuwal (Saudi Arabia)

2017-04-24

The development of cost-effective and active water-splitting electrocatalysts that work at mild pH is an essential step towards the realization of sustainable energy and material circulation in our society. Its success requires a drastic improvement in the kinetics of the anodic half-reaction of the oxygen evolution reaction (OER), which determines the overall system efficiency to a large extent. A simple electrochemical protocol has been developed to activate Ni electrodes, by which a stable NiOOH phase was formed, which could weakly bind to alkali-metal cations. The electrochemically activated (ECA) Ni electrode reached a current of 10 mA at <1.40 V vs. the reversible hydrogen electrode (RHE) at practical operation temperatures (>75 C) and a mild pH of ca. 10 with excellent stability (>24 h), greatly surpassing that of the state-of-the-art NiFeO{sub x} electrodes under analogous conditions. Water electrolysis was demonstrated with ECA-Ni and NiMo, which required an iR-free overall voltage of only 1.44 V to reach 10 mA cm{sub geo}{sup -2}. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Boosting the Performance of the Nickel Anode in the Oxygen Evolution Reaction by Simple Electrochemical Activation

KAUST Repository

Shinagawa, Tatsuya

2017-03-27

The development of cost-effective and active water-splitting electrocatalysts that work at mild pH is an essential step towards the realization of sustainable energy and material circulation in our society. Its success requires a drastic improvement in the kinetics of the anodic half-reaction of the oxygen evolution reaction (OER), which determines the overall system efficiency to a large extent. A simple electrochemical protocol has been developed to activate Ni electrodes, by which a stable NiOOH phase was formed, which could weakly bind to alkali-metal cations. The electrochemically activated (ECA) Ni electrode reached a current of 10 mA at <1.40 V vs. the reversible hydrogen electrode (RHE) at practical operation temperatures (>75 °C) and a mild pH of ca. 10 with excellent stability (>24 h), greatly surpassing that of the state-of-the-art NiFeOx electrodes under analogous conditions. Water electrolysis was demonstrated with ECA-Ni and NiMo, which required an iR-free overall voltage of only 1.44 V to reach 10 mA cmgeo(-2) .

Darcy-Forchheimer flow of Maxwell nanofluid flow with nonlinear thermal radiation and activation energy

Directory of Open Access Journals (Sweden)

T. Sajid

2018-03-01

Full Text Available The present article is about the study of Darcy-Forchheimer flow of Maxwell nanofluid over a linear stretching surface. Effects like variable thermal conductivity, activation energy, nonlinear thermal radiation is also incorporated for the analysis of heat and mass transfer. The governing nonlinear partial differential equations (PDEs with convective boundary conditions are first converted into the nonlinear ordinary differential equations (ODEs with the help of similarity transformation, and then the resulting nonlinear ODEs are solved with the help of shooting method and MATLAB built-in bvp4c solver. The impact of different physical parameters like Brownian motion, thermophoresis parameter, Reynolds number, magnetic parameter, nonlinear radiative heat flux, Prandtl number, Lewis number, reaction rate constant, activation energy and Biot number on Nusselt number, velocity, temperature and concentration profile has been discussed. It is viewed that both thermophoresis parameter and activation energy parameter has ascending effect on the concentration profile.

Metal-Organic Frameworks as Highly Active Electrocatalysts for High-Energy Density, Aqueous Zinc-Polyiodide Redox Flow Batteries.

Science.gov (United States)

Li, Bin; Liu, Jian; Nie, Zimin; Wang, Wei; Reed, David; Liu, Jun; McGrail, Pete; Sprenkle, Vincent

2016-07-13

The new aqueous zinc-polyiodide redox flow battery (RFB) system with highly soluble active materials as well as ambipolar and bifunctional designs demonstrated significantly enhanced energy density, which shows great potential to reduce RFB cost. However, the poor kinetic reversibility and electrochemical activity of the redox reaction of I3(-)/I(-) couples on graphite felts (GFs) electrode can result in low energy efficiency. Two nanoporous metal-organic frameworks (MOFs), MIL-125-NH2 and UiO-66-CH3, that have high surface areas when introduced to GF surfaces accelerated the I3(-)/I(-) redox reaction. The flow cell with MOF-modified GFs serving as a positive electrode showed higher energy efficiency than the pristine GFs; increases of about 6.4% and 2.7% occurred at the current density of 30 mA/cm(2) for MIL-125-NH2 and UiO-66-CH3, respectively. Moreover, UiO-66-CH3 is more promising due to its excellent chemical stability in the weakly acidic electrolyte. This letter highlights a way for MOFs to be used in the field of RFBs.

Stable and efficient nitrogen-containing-carbon based electrocatalysts for reactions in energy conversion systems.

Science.gov (United States)

Wang, Sicong; Teng, Zhenyuan; Wang, Chengyin; Wang, Guoxiu

2018-05-17

High activity and stability are crucial for practical electrocatalysts used for reactions in fuel cells, metal-air batteries and water electrolysis including ORR, HER, OER and oxidation reactions of formic acid and alcohols. N-C based electrocatalysts have shown promising prospects for catalyzing these reactions, however, there is no systematic review for strategies toward engineering active and stable N-C based electrocatalysts reported by far. Herein, a comprehensive comparison of recently reported N-C based electrocatalysts regarding both electrocatalytic activity and long-term stability is presented. In the first part of this review, relationships between electrocatalytic reactions and element selections for modifying N-C based materials are discussed. Afterwards, synthesis methods for N-C based electrocatalysts are summarized, and synthetic strategies for highly stable N-C based electrocatalysts are presented. Multiple tables containing data on crucial parameters for both electrocatalytic activity and stability are displayed in this review. Finally, constructing M-Nx moieties is proposed as the most promising engineering strategy for stable N-C based electrocatalysts. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ground reaction forces, kinematics, and muscle activations during the windmill softball pitch.

Science.gov (United States)

Oliver, Gretchen D; Plummer, Hillary

2011-07-01

The aims of the present study were to examine quantitatively ground reaction forces, kinematics, and muscle activations during the windmill softball pitch, and to determine relationships between knee valgus and muscle activations, ball velocity and muscle activation as well as ball velocity and ground reaction forces. It was hypothesized that there would be an inverse relationship between degree of knee valgus and muscle activation, a direct relationship between ground reaction forces and ball velocity, and non-stride leg muscle activations and ball velocity. Ten female windmill softball pitchers (age 17.6 ± 3.47 years, stature 1.67 ± 0.07 m, weight 67.4 ± 12.2 kg) participated. Dependent variables were ball velocity, surface electromyographic (sEMG), kinematic, and kinetic data while the participant was the independent variable. Stride foot contact reported peak vertical forces of 179% body weight. There were positive relationships between ball velocity and ground reaction force (r = 0.758, n = 10, P = 0.029) as well as ball velocity and non-stride leg gluteus maximus (r = 0.851, n = 10, P = 0.007) and medius (r = 0.760, n = 10, P = 0.029) muscle activity, while there was no notable relationship between knee valgus and muscle activation. As the windmill softball pitcher increased ball velocity, her vertical ground reaction forces also increased. Proper conditioning of the lumbopelvic-hip complex, including the gluteals, is essential for injury prevention. From the data presented, it is evident that bilateral strength and conditioning of the gluteal muscle group is salient in the windmill softball pitch as an attempt to decrease incidence of injury.

Proliferative activity as a prognostic factor of a human tumor radiation reactions

International Nuclear Information System (INIS)

Karakulov, R.K.; Pelevina, I.I.

1986-01-01

The following questions are considered: 1) whether cell proliferation initial parameters can serve for predicting the tumor radial reaction; 2) whether proliferative activity change can be a criterion for estimating the treatment efficiency; 3) acquisition of data on biological peculiarities of different types of tumors. Connection between proliferative activity drop and clinical reaction under tumor radiotherapy is ascertained

High energy reactions in normal metabolism and ageing of animals

International Nuclear Information System (INIS)

Avdonina, E.N.; Nesmeyanov, N.

1983-01-01

Processes involving reactions on highly excited states are thought to be of great importance for normal metabolism and aging. Excess energy of the organism is transferred to result in the formation of highly excited states of macromolecules. UV, visible light or ionizing radiation created partially by the organism itself can change metabolic process rates. According to the authors, aging is associated with the defects of macromolecules owing to high energy processes. Gerontological changes in biological materials result from the elimination of low molecular weight molecules and from the formation of unsaturated compounds. Crosslinking of the compounds, accumulation of collagen and connective tissues, the energetic overload of the organism are listed as important features of aging. (V.N.)

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.

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

The energy spilling reactions of bacteria and other organisms.

Science.gov (United States)

Russell, James B

2007-01-01

For many years it was assumed that living organisms always utilized ATP in a highly efficient manner, but simple growth studies with bacteria indicated that the efficiency of biomass production was often at least 3-fold lower than the amount that would be predicted from standard biosynthetic pathways. The utilization of energy for maintenance could only explain a small portion of this discrepancy particularly when the growth rate was high. These ideas and thermodynamic arguments indicated that cells might have another avenue of energy utilization. This phenomenon has also been called 'uncoupling', 'spillage' and 'overflow metabolism', but 'energy spilling' is probably the most descriptive term. It appears that many bacteria spill energy, and the few that do not can be killed (large and often rapid decrease in viability), if the growth medium is nitrogen-limited and the energy source is in 'excess'. The lactic acid bacterium, Streptococcus bovis, is an ideal bacterium for the study of energy spilling. Because it only uses substrate level phosphorylation to generate ATP, ATP generation can be calculated with a high degree of certainty. It does not store glucose as glycogen, and its cell membrane can be easily accessed. Comparative analysis of heat production, membrane voltage, ATP production and Ohm's law indicated that the energy spilling reaction of S. bovis is mediated by a futile cycle of protons through the cell membrane. Less is known about Escherichia coli, but in this bacterium energy spilling could be mediated by a futile cycle of potassium or ammonium ions. Energy spilling is not restricted to prokaryotes and appears to occur in yeasts and in higher organisms. In man, energy spilling may be related to cancer, ageing, ischemia and cardiac failure. Copyright (c) 2007 S. Karger AG, Basel.

A method for investigation of the D("4He, γ)"6Li reaction in the Ultralow energy region under a high background

International Nuclear Information System (INIS)

Bystritsky, V.M.; Dudkin, G.N.; Krylov, A.R.; Gazi, S.; Huran, J.; Nechaev, B.A.; Padalko, V.N.; Sadovsky, A.B.; Tuleushev, Yu.Zh.; Filipowicz, M.; Philippov, A.V.

2016-01-01

The cosmological lithium problem, that is, a noticeable discrepancy between the predicted and observed abundances of lithium, is in conflict with the Standard Big Bang Nucleosynthesis model. For example, the abundance of "7Li is 2–4 times smaller than predicted by the Standard Big Bang Nucleosynthesis. As to the abundance of "6Li, recent more accurate optical investigations have yielded only the upper limit on the "6Li/"7Li ratio, which makes the problem of "6Li abundance and accordingly of disagreement with the Standard Big Bang Nucleosynthesis predictions less acute. However, experimental study of the D("4He, γ)"6Li reaction cross section is still of current importance because there is a theoretical approach predicting its anomalously large value in the region of energies below the Standard Big Bang Nucleosynthesis energy. The work is dedicated to the measurement of the cross section for the D("4He, γ)"6Li reaction proceeding in zirconium deuteride at the incident "4He"+ion energy of 36 keV. The experiment is performed at a pulsed Hall plasma accelerator with an energy spread of 20% FWHM. A method for direct measurement of the background from the reaction chain D("4He, "4He)D→D(D, n)"3He→(n, γ) and/or (n, n′γ) ending with activation of the surrounding material by neutrons is proposed and implemented in the work. An upper limit on the D("4He, γ)"6Li reaction cross section σ≤7·10"−"3"6 cm"2 at the 90% confidence level is obtained.

Low-Energy Nuclear Reactions Resulting as Picometer Interactions with Similarity to K-Shell Electron Capture

Science.gov (United States)

Hora, H.; Miley, G. H.; Li, X. Z.; Kelly, J. C.; Osman, F.

2006-02-01

Since the appeal by Brian Josephson at the meeting of the Nobel Laureates July 2004, it seems to be indicated to summarize the following serious, reproducible and confirmed observations on reactions of protons or deuterons incorporated in host metals such as palladium. Some reflections to Rutherford's discovery of nuclear physics, the Cockroft-Oliphant discovery of anomalous low-energy fusion reactions and the chemist Hahn's discovery of fission had to be included. Using gaseous atmosphere or discharges between palladium targets, rather significant results were seen e.g. from the "life after death" heat production of such high values per host atom that only nuclear reactions can be involved. This supports the earlier evaluation of neutron generation in fully reversible experiments with gas discharges hinting that a reasonable screening effect - preferably in the swimming electron layer - may lead to reactions at nuclear distances d of picometers with reaction probability times U of about megaseconds similar to the K-shell capture radioactivity. Further electrolytic experiments led to low-energy nuclear reactions (LENR) where the involvement of pollution could be excluded from the appearance of very seldom rare earth elements. A basically new theory for DD cross-sections is used to confirm the picometer-megasecond reactions of cold fusion. Other theoretical aspects are given from measured heavy element distributions similar to the standard abundance distribution, SAD, in the Universe with consequences on endothermic heavy nuclei generation, magic numbers and to quark-gluon plasmas.

Low-energy nuclear reactions resulting as parametric interactions with similarity to K-shell electron capture

International Nuclear Information System (INIS)

Hora, H.; Miley, G.H.; Li, X.Z.; Kelly, J.C.; Osman, F.

2006-01-01

Since the appeal by Brian Josephson at the meeting of the Nobel Laureates July 2004, it seems to be indicated to summarize the following serious, reproducible and confirmed observations on reactions of protons of deuterons incorporated in host metals such as palladium. Some reflections to Rutherford's discovery of nuclear physics, the Cockcroft Oliphant discovery of anomalous low-energy fusion reactions and the chemist Hahn's discovery of fission had to be included. Using gaseous atmosphere or discharges between palladium targets, rather significant results were seen e.g. from the 'life after death' heat production of such high values per host atom that only nuclear reactions can be involved. This supports the earlier evaluation of neutron generation in fully reversible experiments with gas discharges hinting that a reasonable screening effect - preferably in the swimming electron layer - may lead to reactions at nuclear distances d of pico-meters with reaction probability times U of about mega-seconds similar to the K-shell capture radioactivity. Further electrolytic experiments led to low-energy nuclear reactions (LENR) where the involvement of pollution could be excluded from the appearance of very seldom rare earth elements. A basically new theory for DD cross-sections is used to confirm the pico-meter- mega-second reactions of cold fusion. Other theoretical aspects are given from measured heavy element distributions similar to the standard abundance distribution, SAD, in the Universe with consequences on endothermic heavy nuclei generation, magic numbers and to quark-gluon plasmas. (authors)

Exchange reaction between tritiated hydrogen and water vapor

International Nuclear Information System (INIS)

Yamada, Koichi; Takano, Kenichi; Watanabe, Tamaki.

1979-01-01

Exchange reaction of tritiated hydrogen to water vapor under the condition of tritium gas concentration between 1 μCi/l and 1 mCi/l was studied. Tritium gas with hydrogen gas of 5 Torr and water of 20 mg were enclosed in a Pyrex glass ampule with volume of about 100 ml. The mixed gas with water vapor was heated with electric furnace. The heating time was between 2 and 100 hr, and the temperature was 776, 725, 675, 621, and 570.5 0 K. After heating, tritiated water was trapped with liquid nitrogen, and counted with a liquid scintillation counter. The radioactive concentration of initial tritiated hydrogen was measured with a calibrated ionization chamber. The main results obtained are as follows; 1) the concentration of produced tritiated water is well proportioned to that of initial tritiated hydrogen, 2) the activation energy of exchange reaction from tritiated hydrogen to tritiated water is 26.2 kcal/mol and that of inverse reaction is 27.4 kcal/mol, 3) the reaction rate at room temperature which calculated with activation energy is 1.04 x 10 -13 day -1 , and then exchange reaction at room temperature is negligible. (author)

Energy Model of Neuron Activation.

Science.gov (United States)

Romanyshyn, Yuriy; Smerdov, Andriy; Petrytska, Svitlana

2017-02-01

On the basis of the neurophysiological strength-duration (amplitude-duration) curve of neuron activation (which relates the threshold amplitude of a rectangular current pulse of neuron activation to the pulse duration), as well as with the use of activation energy constraint (the threshold curve corresponds to the energy threshold of neuron activation by a rectangular current pulse), an energy model of neuron activation by a single current pulse has been constructed. The constructed model of activation, which determines its spectral properties, is a bandpass filter. Under the condition of minimum-phase feature of the neuron activation model, on the basis of Hilbert transform, the possibilities of phase-frequency response calculation from its amplitude-frequency response have been considered. Approximation to the amplitude-frequency response by the response of the Butterworth filter of the first order, as well as obtaining the pulse response corresponding to this approximation, give us the possibility of analyzing the efficiency of activating current pulses of various shapes, including analysis in accordance with the energy constraint.