WorldWideScience

Sample records for chemically significant energies

  1. Spectroscopic probes of vibrationally excited molecules at chemically significant energies

    Energy Technology Data Exchange (ETDEWEB)

    Rizzo, T.R. [Univ. of Rochester, NY (United States)

    1993-12-01

    This project involves the application of multiple-resonance spectroscopic techniques for investigating energy transfer and dissociation dynamics of highly vibrationally excited molecules. Two major goals of this work are: (1) to provide information on potential energy surfaces of combustion related molecules at chemically significant energies, and (2) to test theoretical modes of unimolecular dissociation rates critically via quantum-state resolved measurements.

  2. Chemical energy storage

    Energy Technology Data Exchange (ETDEWEB)

    Schloegl, Robert (ed.) [Fritz-Haber-Institute of the Max Planck Society, Berlin (Germany). Dept. of Inorganic Chemistry

    2013-02-01

    The use of regenerative energy in many primary forms leads to the necessity to store grid dimensions for maintaining continuous supply and enabling the replacement of fossil fuel systems. Chemical energy storage is one of the possibilities besides mechano-thermal and biological systems. This work starts with the more general aspects of chemical energy storage in the context of the geosphere and evolves to dealing with aspects of electrochemistry, catalysis, synthesis of catalysts, functional analysis of catalytic processes and with the interface between electrochemistry and heterogeneous catalysis. Top-notch experts provide a sound, practical, hands-on insight into the present status of energy conversion aimed primarily at the young emerging research front.

  3. Energy propagation throughout chemical networks.

    Science.gov (United States)

    Le Saux, Thomas; Plasson, Raphaël; Jullien, Ludovic

    2014-06-14

    In order to maintain their metabolism from an energy source, living cells rely on chains of energy transfer involving functionally identified components and organizations. However, propagation of a sustained energy flux through a cascade of reaction cycles has only been recently reproduced at a steady state in simple chemical systems. As observed in living cells, the spontaneous onset of energy-transfer chains notably drives local generation of singular dissipative chemical structures: continuous matter fluxes are dynamically maintained at boundaries between spatially and chemically segregated zones but in the absence of any membrane or predetermined material structure. PMID:24681890

  4. Science Activities in Energy: Chemical Energy.

    Science.gov (United States)

    Oak Ridge Associated Universities, TN.

    Presented is a science activities in energy package which includes 15 activities relating to chemical energy. Activities are simple, concrete experiments for fourth, fifth and sixth grades which illustrate principles and problems relating to energy. Each activity is outlined on a single card which is introduced by a question. A teacher's…

  5. ERDA's Chemical Energy Storage Program

    Science.gov (United States)

    Swisher, J. H.; Kelley, J. H.

    1977-01-01

    The Chemical Energy Storage Program is described with emphasis on hydrogen storage. Storage techniques considered include pressurized hydrogen gas storage, cryogenic liquid hydrogen storage, storage in hydride compounds, and aromatic-alicyclic hydrogen storage. Some uses of energy storage are suggested. Information on hydrogen production and hydrogen use is also presented. Applications of hydrogen energy systems include storage of hydrogen for utilities load leveling, industrial marketing of hydrogen both as a chemical and as a fuel, natural gas supplementation, vehicular applications, and direct substitution for natural gas.

  6. Solar energy conversion. Chemical aspects

    Energy Technology Data Exchange (ETDEWEB)

    Likhtenshtein, Gertz [Ben-Gurion Univ. of the Negev, Beersheba (Israel). Dept. of Chemistry

    2012-07-01

    Finally filling a gap in the literature for a text that also adopts the chemist's view of this hot topic, Professor Likhtenshtein, an experienced author and internationally renowned scientist, considers different physical and engineering aspects in solar energy conversion. From theory to real-life systems, he shows exactly which chemical reactions take place when converting light energy, providing an overview of the chemical perspective from fundamentals to molecular harvesting systems and solar cells. This essential guide will thus help researchers in academia and industry better understand solar energy conversion, and so ultimately help this promising, multibillion euro/dollar field to expand. (orig.)

  7. Chemical Energy: A Learning Package.

    Science.gov (United States)

    Cohen, Ita; Ben-Zvi, Ruth

    1982-01-01

    A comprehensive teaching/learning chemical energy package was developed to overcome conceptual/experimental difficulties and time required for calculation of enthalpy changes. The package consists of five types of activities occuring in repeated cycles: group activities, laboratory experiments, inquiry questionnaires, teacher-led class…

  8. Allophane on Mars: Significance for Chemical Weathering and Soil Development

    Science.gov (United States)

    Kraft, M. D.; Rampe, E. B.; Sharp, T. G.; Ming, D. W.; Golden, D. C.; Christensen, P. R.

    2010-01-01

    It has been suggested that allophane or related poorly crystalline aluminosilicates are present on Mars, and that they comprise the high-silica phase detected by the Thermal Emission Spectrometer (TES) in Surface Type 2 materials (Michalski et al., 2005). Using new laboratory spectra of allophanic materials, we (Rampe et al., this meeting) have detected allophane on the Martian surface via spectral modeling of TES data. We find that ST2 materials in the Northern Plains are consistent with a significant amount of high-silica allophane-like materials. In addition, we find that allophane may be present in some areas of ancient highlands (TES surface type 1), but spectra of those regions are more consistent with aluminous allophane. The presence of allophane and its chemical variability have important implications for chemical weathering and soil development on Mars. Allophane-like materials are amorphous or poorly crystalline hydrous aluminosilicates formed from chemical weathering of glasses, feldspars, and other silicates (cf. Parfitt, 2009). True allophane is a combination of SiO2, Al2O3 and H2O where Al:Si ranges from 0.5-2. Aluminosilicate gels are amorphous and chemically similar to allophane but can have higher SiO2 contents. The presence of allophane indicates low-temperature chemical weathering and provides constraints on alteration conditions, limiting pH to circum-neutral (4.5-8). Our model results indicate that weathering occurred in the relatively young northern plains of Mars. The high-silica allophane-like material present there implies little silica mobility through the soil column, which suggests that weathering involved small amounts of liquid water, consistent with our previous models of weathering in ice-rich soils (Kraft et al., 2007). The aluminous allophane indicated by our spectral models to be present in the highlands suggest that those regions experienced greater amounts of SiO2 leaching and weathering in those soils may have involved much

  9. The significance of energy for the economy

    International Nuclear Information System (INIS)

    The importance of energy for the economy is described here in practical terms. This is meant for the works and workshop manager, maintenance chief, energy specialist, sales staff of industrial and business organisations. The term 'potential for saving energy' is extensively discussed. Statistical research shows a clear connection between energy application and growth of the economy. Fact: a rational use of energy is worth while in many aspects. figs., tabs., 14 refs

  10. The significance of feedback control for chemical sensors

    NARCIS (Netherlands)

    Bergveld, P.

    1992-01-01

    The conventional way of applying chemical sensors is in an open-loop configuration. A parameter of the chemical domain, such as a gas or ion concentration, is converted into a parameter of the mechanical or electrical domain, often with non-linear transfer characteristics. The paramagnetic oxygen se

  11. Chemical composition and medicinal significance of Fagonia cretica: a review.

    Science.gov (United States)

    Qureshi, Huma; Asif, Saira; Ahmed, Haroon; Al-Kahtani, Hassan A; Hayat, Khizar

    2016-01-01

    Members of the family Zygophyllaceae are distributed in arid areas of the world and are traditionally used against various health insults ranging from skin lesions to lethal cancer. Fagonia cretica Linn. is a plant having novel compounds responsive in diseases that are still considered as incurable or are curable with serious side effects. Researchers, particularly of the Asian region elaborately studied the chemical composition and pharmacological activities of this plant. But further studies are still required to evaluate this plant in clinical trials in order to save humanity from synthetic chemical drugs yet disputed as 'friends or foe'. PMID:25921950

  12. Significance of chemical recognition cues is context dependent in ants

    DEFF Research Database (Denmark)

    Bos, N.; Guerrieri, F.J.; d'Ettorre, P.

    2010-01-01

    Recognition of group members is of fundamental importance in social animals, allowing individuals to protect resources against intruders and parasites, as well as ensuring social cohesion within the group. In ants and other social insects, social recognition relies on multicomponent chemical sign...... ensures that learning in an appetitive context does not interfere with the crucial task of colony defence. (C) 2010 The Association for the Study of Animal Behaviour. Published by Elsevier Ltd. All rights reserved......Recognition of group members is of fundamental importance in social animals, allowing individuals to protect resources against intruders and parasites, as well as ensuring social cohesion within the group. In ants and other social insects, social recognition relies on multicomponent chemical...

  13. Progress of energy system with chemical-looping combustion

    Institute of Scientific and Technical Information of China (English)

    JIN HongGuang; HONG Hui; HAN Tao

    2009-01-01

    Chemical-looping combustion with zero energy penalty of CO2 separation is a significant breakthrough in resolving energy and environment problems for power generation systems. This paper summarizes the research on energy systems with chemical-looping combustion conducted in recent years, discloses the underlying mechanism of energy release of chemical-looping combustion, describes the trends of the key technology development, and presents the proposed chemicaMooping combustion thermal cycles. This paper may provide a new direction to the synthesis of the next-generation energy system compatible with environment.

  14. Chemical and pharmacological significance of natural guanidines from marine invertebrates.

    Science.gov (United States)

    Ebada, S S; Proksch, P

    2011-03-01

    Natural Guanidines from marine invertebrates represent a group of bioactive secondary metabolites that revealed prominent pharmacological activities such as antimicrobial, antiproliferative, analgesic, and anti-coagulant properties. Acyclovir (Zovirax(®)), the first guanidine-derived pharmaceutical for the treatment of herpes infections since late 1970s, was synthesized based on a marine arabinosyl nucleoside, spongosine. Recently, ziconotide (Prialt(®)), a synthetic form of the marine-derived peptide (ω-conotoxin MVIIA) comprising a guanidine moiety, has been approved for the treatment of chronic pain. This review surveys over 130 compounds of guanidine-containing secondary metabolites from marine invertebrates with emphasis on their pharmacological significance and structure-activity relationships. PMID:21534931

  15. On the Chemical Potential of Dark Energy

    CERN Document Server

    Pereira, S H

    2008-01-01

    It is widely assumed that the observed universe is accelerating due to the existence of a new fluid component called dark energy. In this article, the thermodynamics consequences of a nonzero chemical potential on the dark energy component is discussed with special emphasis to the phantom fluid case. It is found that if the dark energy fluid is endowed with a negative chemical potential, the phantom field hypothesis becomes thermodynamically consistent with no need of negative temperatures as recently assumed in the literature.

  16. On the Chemical Potential of Dark Energy

    OpenAIRE

    Pereira, S. H.

    2008-01-01

    It is widely assumed that the observed universe is accelerating due to the existence of a new fluid component called dark energy. In this article, the thermodynamics consequences of a nonzero chemical potential on the dark energy component is discussed with special emphasis to the phantom fluid case. It is found that if the dark energy fluid is endowed with a negative chemical potential, the phantom field hypothesis becomes thermodynamically consistent with no need of negative temperatures as...

  17. Molecular Energy Relations From Chemical Kinetics

    OpenAIRE

    Finkel, Robert W.

    2007-01-01

    Since molecular energy transformations are responsible for chemical reaction rates at the most fundamental level, chemical kinetics should provide some information about molecular energies. This is the premise and objective of this note. We describe a Hamiltonian formulation for kinetic rate equations where the concentrations are the generalized coordinates and the conjugate momenta are simply related to individual average molecular energies. Simple examples are presented and the resulting en...

  18. Energy conversion technology by chemical processes

    Energy Technology Data Exchange (ETDEWEB)

    Oh, I.W.; Yoon, K.S.; Cho, B.W. [Korea Inst. of Science and Technology, Seoul (Korea, Republic of)] [and others

    1996-12-01

    The sharp increase in energy usage according to the industry development has resulted in deficiency of energy resources and severe pollution problems. Therefore, development of the effective way of energy usage and energy resources of low pollution is needed. Development of the energy conversion technology by chemical processes is also indispensable, which will replace the pollutant-producing and inefficient mechanical energy conversion technologies. Energy conversion technology by chemical processes directly converts chemical energy to electrical one, or converts heat energy to chemical one followed by heat storage. The technology includes batteries, fuel cells, and energy storage system. The are still many problems on performance, safety, and manufacturing of the secondary battery which is highly demanded in electronics, communication, and computer industries. To overcome these problems, key components such as carbon electrode, metal oxide electrode, and solid polymer electrolyte are developed in this study, followed by the fabrication of the lithium secondary battery. Polymer electrolyte fuel cell, as an advanced power generating apparatus with high efficiency, no pollution, and no noise, has many applications such as zero-emission vehicles, on-site power plants, and military purposes. After fabricating the cell components and operating the single cells, the fundamental technologies in polymer electrolyte fuel cell are established in this study. Energy storage technology provides the safe and regular heat energy, irrespective of the change of the heat energy sources, adjusts time gap between consumption and supply, and upgrades and concentrates low grade heat energy. In this study, useful chemical reactions for efficient storage and transport are investigated and the chemical heat storage technology are developed. (author) 41 refs., 90 figs., 20 tabs.

  19. Molecular Energy Relations From Chemical Kinetics

    CERN Document Server

    Finkel, Robert W

    2007-01-01

    Since molecular energy transformations are responsible for chemical reaction rates at the most fundamental level, chemical kinetics should provide some information about molecular energies. This is the premise and objective of this note. We describe a Hamiltonian formulation for kinetic rate equations where the concentrations are the generalized coordinates and the conjugate momenta are simply related to individual average molecular energies. Simple examples are presented and the resulting energy relations naturally include non-equilibrium reactions. An analysis predicts the reasonable outcome that thermal agitation of a composite molecule increases its rate of dissociation.

  20. 76 FR 75794 - Significant New Use Rules on Certain Chemical Substances; Withdrawal of Two Chemical Substances

    Science.gov (United States)

    2011-12-05

    ... July 27, 1989 (54 FR 31314). The docket for the direct final SNURs for these two chemical substances... entities is provided in the Federal Register issue of October 5, 2011 (76 FR 61566) (FRL-8880-2). If you..., 1345 (d) and (e), 1361; E.O. 11735, 38 FR 21243, 3 CFR, 1971-1975 Comp. p. 973; 42 U.S.C. 241,...

  1. Stochastic Chemical Kinetics with Energy Parameters

    CERN Document Server

    Fayolle, Guy; Pirogov, Serguei

    2011-01-01

    Abstact: We introduce new models of energy redistribution in stochastic chemical kinetics with several molecule types and energy parameters. The main results concern the situations when there are product form measures. Using a probabilistic interpretation of the related Boltzmann equation, we find some invariant measures explicitly and prove convergence to them.

  2. Development of renewable energy in China:significance & strategic objectives

    Institute of Scientific and Technical Information of China (English)

    Du Xiangwan; Huang Qili; Li Junfeng

    2009-01-01

    Based on CAE's research report, this paper illustrates the background and purposes of the development strat-egy research of renewable energy in China, emphasizes the significance of developing renewable energy in China, gives the strategic positions and development objectives of renewable energy in China in the first half of 21st century and con-tributes to green house gas emissions reduction and environmental protection in China.

  3. Estimation of Radiative Efficiency of Chemicals with Potentially Significant Global Warming Potential

    Data.gov (United States)

    U.S. Environmental Protection Agency — The set of commercially available chemical substances in commerce that may have significant global warming potential (GWP) is not well defined. Although there are...

  4. Stochastic Chemical Kinetics with Energy Parameters

    OpenAIRE

    Fayolle, Guy; Malyshev, Vadim A.; Pirogov, Serguei

    2004-01-01

    International audience Abstact: We introduce new models of energy redistribution in stochastic chemical kinetics with several molecule types and energy parameters. The main results concern the situations when there are product form measures. Using a probabilistic interpretation of the related Boltzmann equation, we find some invariant measures explicitly and prove convergence to them. Résumé : Nous introduisons de nouveaux modèles de réseaus de cinétique chimique, avec plusieurs types d...

  5. Chemical Nonequilibrium in High Energy Nuclear Collisions

    CERN Document Server

    Letessier, J; Letessier, Jean; Rafelski, Johann

    1999-01-01

    Strange particles produced in S-Au/W/Pb 200 A GeV and Pb-Pb 158 A GeV reactions are described invoking final hadronic phase space in thermal equilibrium, but allowing chemical non-equilibrium. Several sets of statistical freeze-out parameters are obtained for each system, invoking different models of dense matter. We show that only when allowing for strange and non-strange flavor abundance non-equilibrium, a statistically significant description of the experimental results is obtained. Physical properties of the fireball at chemical freeze-out condition are evaluated and considerable universality of hadron freeze-out between the two different collision systems is established. The relevance of the Coulomb effect in the highly charged Pb-Pb fireballs for the chemical analysis are discussed. The influence of explosive collective matter flow is also described.

  6. Thermal energy harvesting plasmonic based chemical sensors.

    Science.gov (United States)

    Karker, Nicholas; Dharmalingam, Gnanaprakash; Carpenter, Michael A

    2014-10-28

    Detection of gases such as H2, CO, and NO2 at 500 °C or greater requires materials with thermal stability and reliability. One of the major barriers toward integration of plasmonic-based chemical sensors is the requirement of multiple components such as light sources and spectrometers. In this work, plasmonic sensing results are presented where thermal energy is harvested using lithographically patterned Au nanorods, replacing the need for an external incident light source. Gas sensing results using the harvested thermal energy are in good agreement with sensing experiments, which used an external incident light source. Principal Component Analysis (PCA) was used to reduce the wavelength parameter space from 665 variables down to 4 variables with similar levels of demonstrated selectivity. The combination of a plasmonic-based energy harvesting sensing paradigm with PCA analysis offers a novel path toward simplification and integration of plasmonic-based sensing methods. PMID:25280004

  7. Systematic Error Estimation for Chemical Reaction Energies

    CERN Document Server

    Simm, Gregor N

    2016-01-01

    For the theoretical understanding of the reactivity of complex chemical systems accurate relative energies between intermediates and transition states are required. Despite its popularity, density functional theory (DFT) often fails to provide sufficiently accurate data, especially for molecules containing transition metals. Due to the huge number of intermediates that need to be studied for all but the simplest chemical processes, DFT is to date the only method that is computationally feasible. Here, we present a Bayesian framework for DFT that allows for error estimation of calculated properties. Since the optimal choice of parameters in present-day density functionals is strongly system dependent, we advocate for a system-focused re-parameterization. While, at first sight, this approach conflicts with the first-principles character of DFT that should make it in principle system independent, we deliberately introduce system dependence because we can then assign a stochastically meaningful error to the syste...

  8. Correlation between biogas yield and chemical composition of energy crops.

    Science.gov (United States)

    Dandikas, V; Heuwinkel, H; Lichti, F; Drewes, J E; Koch, K

    2014-12-01

    The scope of this study was to investigate the influence of the chemical composition of energy crops on biogas and methane yield. In total, 41 different plants were analyzed in batch test and their chemical composition was determined. For acid detergent lignin (ADL) content below 10% of total solids, a significant negative correlation for biogas and methane yields (r≈-0.90) was observed. Based on a simple regression analysis, more than 80% of the sample variation can be explained through ADL. Based on a principal component analysis and multiple regression analysis, ADL and hemicellulose are suggested as suitable model variables for biogas yield potential predictions across plant species. PMID:25443623

  9. 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.

  10. Estimation of Radiative Efficiency of Chemicals with Potentially Significant Global Warming Potential.

    Science.gov (United States)

    Betowski, Don; Bevington, Charles; Allison, Thomas C

    2016-01-19

    Halogenated chemical substances are used in a broad array of applications, and new chemical substances are continually being developed and introduced into commerce. While recent research has considerably increased our understanding of the global warming potentials (GWPs) of multiple individual chemical substances, this research inevitably lags behind the development of new chemical substances. There are currently over 200 substances known to have high GWP. Evaluation of schemes to estimate radiative efficiency (RE) based on computational chemistry are useful where no measured IR spectrum is available. This study assesses the reliability of values of RE calculated using computational chemistry techniques for 235 chemical substances against the best available values. Computed vibrational frequency data is used to estimate RE values using several Pinnock-type models, and reasonable agreement with reported values is found. Significant improvement is obtained through scaling of both vibrational frequencies and intensities. The effect of varying the computational method and basis set used to calculate the frequency data is discussed. It is found that the vibrational intensities have a strong dependence on basis set and are largely responsible for differences in computed RE values.

  11. Computed potential energy surfaces for chemical reactions

    Science.gov (United States)

    Walch, Stephen P.

    1994-01-01

    Quantum mechanical methods have been used to compute potential energy surfaces for chemical reactions. The reactions studied were among those believed to be important to the NASP and HSR programs and included the recombination of two H atoms with several different third bodies; the reactions in the thermal Zeldovich mechanism; the reactions of H atom with O2, N2, and NO; reactions involved in the thermal De-NO(x) process; and the reaction of CH(squared Pi) with N2 (leading to 'prompt NO'). These potential energy surfaces have been used to compute reaction rate constants and rates of unimolecular decomposition. An additional application was the calculation of transport properties of gases using a semiclassical approximation (and in the case of interactions involving hydrogen inclusion of quantum mechanical effects).

  12. Wavelet Scattering Regression of Quantum Chemical Energies

    CERN Document Server

    Hirn, Matthew; Poilvert, Nicolas

    2016-01-01

    We introduce multiscale invariant dictionaries to estimate quantum chemical energies of organic molecules, from training databases. Molecular energies are invariant to isometric atomic displacements, and are Lipschitz continuous to molecular deformations. Similarly to density functional theory (DFT), the molecule is represented by an electronic density function. A multiscale invariant dictionary is calculated with wavelet scattering invariants. It cascades a first wavelet transform which separates scales, with a second wavelet transform which computes interactions across scales. Sparse scattering regressions give state of the art results over two databases of organic planar molecules. On these databases, the regression error is of the order of the error produced by DFT codes, but at a fraction of the computational cost.

  13. Chemical kinetics study of hydrocarbon regeneration from organic matter in carbonate source rocks and its significance

    Institute of Scientific and Technical Information of China (English)

    LU ShuangFang; ZHONG NingNing; XUE HaiTao; PAN ChangChun; LI JiJun; LI HongTao

    2007-01-01

    In the comparison research of hydrocarbon regeneration, a low maturity carbonate source rock is heated to different temperatures in a gold tube to obtain a series of samples with different maturities. Then, the heated samples, before and after extraction, are subjected to Rock-Eval pyrolysis through a thermal simulation of hydrocarbon regeneration in order to inspect pyrolysis characteristics and probe into the characteristics of the chemical kinetics of each sample. The results indicate that, whether hydrocarbon regeneration peak is delayed or advanced, the potential of hydrocarbon regeneration is closely related to the expulsion amount and breakdown maturity of primary hydrocarbon generation. After extraction, the average activation energy of artificially maturated samples increases with the in creasing maturity, but the chemical kinetic properties of un-extracted samples decrease. The calibrated chemical kinetic models that describe extracted and un-extracted samples are applied to the Bohai Bay and the Songliao Basin, and the results indicate that the combination of the two models can explain some contradictory conclusions previously reported. These results also facilitate the quantitative evaluation of the amount of hydrocarbon regeneration by the chemical kinetic method.

  14. Chemical kinetics study of hydrocarbon regeneration from organic matter in carbonate source rocks and its significance

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    In the comparison research of hydrocarbon regeneration, a low maturity carbonate source rock is heated to different temperatures in a gold tube to obtain a series of samples with different maturities. Then, the heated samples, before and after extraction, are subjected to Rock-Eval pyrolysis through a thermal simulation of hydrocarbon regeneration in order to inspect pyrolysis characteristics and probe into the characteristics of the chemical kinetics of each sample. The results indicate that, whether hy- drocarbon regeneration peak is delayed or advanced, the potential of hydrocarbon regeneration is closely related to the expulsion amount and breakdown maturity of primary hydrocarbon generation. After extraction, the average activation energy of artificially maturated samples increases with the in- creasing maturity, but the chemical kinetic properties of un-extracted samples decrease. The calibrated chemical kinetic models that describe extracted and un-extracted samples are applied to the Bohai Bay and the Songliao Basin, and the results indicate that the combination of the two models can explain some contradictory conclusions previously reported. These results also facilitate the quantitative evaluation of the amount of hydrocarbon regeneration by the chemical kinetic method.

  15. Energy and environmental challenges to chemical engineers

    International Nuclear Information System (INIS)

    The National Research Council's report, Frontiers in Chemical Engineering, was written four years ago. Three high-priority research areas concerned with energy and the environment were identified in the report: in situ processing, liquid fuels for the future, and responsible management of hazardous wastes. As outlined in the recently released National Energy Strategy, in situ processing is viewed by the Department of Energy (DOE) primarily through its use in enhanced oil recovery, and some research is still funded. Industry, driven by the economics of low oil prices, is doing little research on in situ processing but much more on reservoir characterization, a prerequisite to processing. Research on liquid fuels for the future is driven more by environmental concerns now than by energy security concerns. It appears to be wise policy for the future to try to solve the alternative fuel problem as quickly and simply as possible. Otherwise, the nation will find itself with a costly and complex fuel and vehicle system that may have to be changed again in a generation. For the interim, we should look closely at reformulated gasoline followed by compressed natural gas, if necessary. In the long run, vehicle systems based on electricity seem most promising for the middle of the next century. To deliver this technology we need to capitalize on three new high-priority research areas: batteries, fuel cells, and nuclear power. For chemical engineers, future challenges of a different sort will be added to the technical challenges, among them are explaining to a skeptical public the wisdom of proceeding to design the interim system of alternative fuel(s) and to move expeditiously to a final solution

  16. The Surface Chemical Composition of Lunar Samples and Its Significance for Optical Properties

    Science.gov (United States)

    Gold, T.; Bilson, E.; Baron, R. L.

    1976-01-01

    The surface iron, titanium, calcium, and silicon concentration in numerous lunar soil and rock samples was determined by Auger electron spectroscopy. All soil samples show a large increase in the iron to oxygen ratio compared with samples of pulverized rock or with results of the bulk chemical analysis. A solar wind simulation experiment using 2 keV energy alpha -particles showed that an ion dose corresponding to approximately 30,000 years of solar wind increased the iron concentration on the surface of the pulverized Apollo 14 rock sample 14310 to the concentration measured in the Apollo 14 soil sample 14163, and the albedo of the pulverized rock decreased from 0.36 to 0.07. The low albedo of the lunar soil is related to the iron + titanium concentration on its surface. A solar wind sputter reduction mechanism is discussed as a possible cause for both the surface chemical and optical properties of the soil.

  17. Chemical Nonequilibrium in High Energy Nuclear Collisions

    OpenAIRE

    Letessier, Jean; Rafelski, Johann

    1998-01-01

    Strange particles produced in S-Au/W/Pb 200 A GeV and Pb-Pb 158 A GeV reactions are described invoking final hadronic phase space in thermal equilibrium, but allowing chemical non-equilibrium. Several sets of statistical freeze-out parameters are obtained for each system, invoking different models of dense matter. We show that only when allowing for strange and non-strange flavor abundance non-equilibrium, a statistically significant description of the experimental results is obtained. Physic...

  18. Increasing significance of advanced physical/chemical processes in the development and application of sustainable wastewater treatment systems

    Institute of Scientific and Technical Information of China (English)

    Wim RULKENS

    2008-01-01

    The awareness of the problem of the scarcity of water of high quality has strongly changed the approach of wastewater treatment. Currently, there is an increasing need for the beneficial reuse of treated wastewater and to recover valuable products and energy from the wastewater. Because microbiological treatment methods are, only to a limited part, able to satisfy these needs, the role and significance of physical/chemical pro-cesses in wastewater treatment are gaining more and more interest. The specific future role and aim of the various physical/chemical treatment processes can be categorized in five groups: improvement of the perform-ance of microbiological treatment processes, achieve-ment of the high quality required for reuse of the effluent, recovery of valuable components and energy from the wastewater for beneficial reuse, desalination of brackish water and seawater, and treatment of con-centrated liquid or solid waste residues produced in a wastewater treatment process. Development of more environmentally sustainable wastewater treatment chains in which physical/chemical processes play a cru-cial role, also requires application of process control and modeling strategies. This is briefly introduced by the elaboration of treatment scenarios for three specific wastewaters.

  19. The Educational and Moral Significance of the American Chemical Society's The Chemist's Code of Conduct

    Science.gov (United States)

    Bruton, Samuel V.

    2003-05-01

    While the usefulness of the case study method in teaching research ethics is frequently emphasized, less often noted is the educational value of professional codes of ethics. Much can be gained by having students examine codes and reflect on their significance. This paper argues that codes such as the American Chemical Society‘s The Chemist‘s Code of Conduct are an important supplement to the use of cases and describes one way in which they can be integrated profitably into a class discussion of research ethics.

  20. Carbon Materials for Chemical Capacitive Energy Storage

    Energy Technology Data Exchange (ETDEWEB)

    Zhai, Y.; Dou, Y.; Zhao, D.; Fulvio, P. F.; Mayes, R. T.; Dai, S.

    2011-09-26

    Carbon materials have attracted intense interests as electrode materials for electrochemical capacitors, because of their high surface area, electrical conductivity, chemical stability and low cost. Activated carbons produced by different activation processes from various precursors are the most widely used electrodes. Recently, with the rapid growth of nanotechnology, nanostructured electrode materials, such as carbon nanotubes and template-synthesized porous carbons have been developed. Their unique electrical properties and well controlled pore sizes and structures facilitate fast ion and electron transportation. In order to further improve the power and energy densities of the capacitors, carbon-based composites combining electrical double layer capacitors (EDLC)-capacitance and pseudo-capacitance have been explored. They show not only enhanced capacitance, but as well good cyclability. In this review, recent progresses on carbon-based electrode materials are summarized, including activated carbons, carbon nanotubes, and template-synthesized porous carbons, in particular mesoporous carbons. Their advantages and disadvantages as electrochemical capacitors are discussed. At the end of this review, the future trends of electrochemical capacitors with high energy and power are proposed.

  1. Carbon materials for chemical capacitive energy storage

    Energy Technology Data Exchange (ETDEWEB)

    Zhai, Yunpu; Zhao, Dongyuan [Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Key Laboratory of Molecular Engineering of Polymers of the Chinese, Ministry of Education, Laboratory of Advanced Materials, Fudan University, Shanghai (China); Dou, Yuqian [Department of Chemistry, Northeastern University, Shenyang (China); Fulvio, Pasquale F.; Mayes, Richard T.; Dai, Sheng [Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN (United States)

    2011-11-09

    Carbon materials have attracted intense interests as electrode materials for electrochemical capacitors, because of their high surface area, electrical conductivity, chemical stability and low cost. Activated carbons produced by different activation processes from various precursors are the most widely used electrodes. Recently, with the rapid growth of nanotechnology, nanostructured electrode materials, such as carbon nanotubes and template-synthesized porous carbons have been developed. Their unique electrical properties and well controlled pore sizes and structures facilitate fast ion and electron transportation. In order to further improve the power and energy densities of the capacitors, carbon-based composites combining electrical double layer capacitors (EDLC)-capacitance and pseudo-capacitance have been explored. They show not only enhanced capacitance, but as well good cyclability. In this review, recent progresses on carbon-based electrode materials are summarized, including activated carbons, carbon nanotubes, and template-synthesized porous carbons, in particular mesoporous carbons. Their advantages and disadvantages as electrochemical capacitors are discussed. At the end of this review, the future trends of electrochemical capacitors with high energy and power are proposed. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  2. Predictive Maintenance (PdM) Centralization for Significant Energy Savings

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Dale

    2010-09-15

    Cost effective predictive maintenance (PdM) technologies and basic energy calculations can mine energy savings form processes or maintenance activities. Centralizing and packaging this information correctly empowers facility maintenance and reliability professionals to build financial justification and support for strategies and personnel to weather global economic downturns and competition. Attendees will learn how to: Systematically build a 'pilot project' for applying PdM and tracking systems; Break down a typical electrical bill to calculate energy savings; Use return on investment (ROI) calculations to identify the best and highest value options, strategies and tips for substantiating your energy reduction maintenance strategies.

  3. Northeastern Center for Chemical Energy Storage (NECCES)

    Energy Technology Data Exchange (ETDEWEB)

    Whittingham, M. Stanley [Stony Brook Univ., NY (United States)

    2015-07-31

    The chemical reactions that occur in batteries are complex, spanning a wide range of time and length scales from atomic jumps to the entire battery structure. The NECCES team of experimentalists and theorists made use of, and developed new methodologies to determine how model compound electrodes function in real time, as batteries are cycled. The team determined that kinetic control of intercalation reactions (reactions in which the crystalline structure is maintained) can be achieved by control of the materials morphology and explains and allows for the high rates of many intercalation reactions where the fundamental properties might indicate poor behavior in a battery application. The small overvoltage required for kinetic control is technically effective and economically feasible. A wide range of state-of-the-art operando techniques was developed to study materials under realistic battery conditions, which are now available to the scientific community. The team also investigated the key reaction steps in conversion electrodes, where the crystal structure is destroyed on reaction with lithium and rebuilt on lithium removal. These so-called conversion reactions have in principle much higher capacities, but were found to form very reactive discharge products that reduce the overall energy efficiency on cycling. It was found that by mixing either the anion, as in FeOF, or the cation, as in Cu1-yFeyF2, the capacity on cycling could be improved. The fundamental understanding of the reactions occurring in electrode materials gained in this study will allow for the development of much improved battery systems for energy storage. This will benefit the public in longer lived electronics, higher electric vehicle ranges at lower costs, and improved grid storage that also enables renewable energy supplies such as wind and solar.

  4. Closed loop chemical systems for energy storage and transmission (chemical heat pipe). Final report

    Energy Technology Data Exchange (ETDEWEB)

    Vakil, H.B.; Flock, J.W.

    1978-02-01

    The work documents the anlaysis of closed loop chemical systems for energy storage and transmission, commonly referred to as the Chemical Heat Pipe (CHP). Among the various chemical reaction systems and sources investigated, the two best systems were determined to be the high temperature methane/steam reforming reaction (HTCHP) coupled to a Very High Temperature Gas Cooled Reactor (VHTR) and the lower temperature, cyclohexane dehydrogenation reaction (LTCHP) coupled to existing sources such as coal or light water reactors. Solar and other developing technologies can best be coupled to the LTCHP. The preliminary economic and technical analyses show that both systems could transport heat at an incremental cost of approximately $1.50/GJ/160 km (in excess of the primary heat cost of $2.50/GJ), at system efficiencies above 80%. Solar heat can be transported at an incremental cost of $3/GJ/160 km. The use of the mixed feed evaporator concept developed in this work contributes significantly to reducing the transportation cost and increasing the efficiency of the system. The LTCHP shows the most promise of the two systems if the technical feasibility of the cyclic closed loop chemical reaction system can be established. An experimental program for establishing this feasibility is recommended. Since the VHTR is several years away from commercial demonstration and the HTCHP chemical technology is well developed, future HTCHP programs should be aimed at VHTR and interface problems.

  5. Significant chemical burns associated with dermal exposure to laundry pod detergent.

    Science.gov (United States)

    Russell, Jason L; Wiles, Devin A; Kenney, Brian; Spiller, Henry A

    2014-09-01

    Concentrated laundry pods have been reported to cause significant clinical effects including oropharyngeal burns and respiratory distress requiring intubation. Dermal burns have been reported, but no incidents of serious isolated dermal injury have been published. We report a case of significant, isolated dermal injury as a result of dermal exposure to a concentrated laundry detergent pod. Total body surface area partial thickness burns in this case were estimated at approximately 2 % with an additional 4-5 % of total body surface area (TBSA) displaying superficial burns/chemical dermatitis. Health-care providers should be aware of this complication and should perform thorough dermal decontamination in the event of an exposure. Parents should be educated regarding the dangers associated with dermal exposure to laundry pod compounds and the need to secure these items away from children as well as proper decontamination techniques should an exposure occur.

  6. Conversion of Concentrated Solar Thermal Energy into Chemical Energy

    Energy Technology Data Exchange (ETDEWEB)

    Tamaura, Yutaka (Dept. of Chemistry, Science and Engineering, Tokyo Inst. of Technology, Meguro-ku, Tokyo (Japan)), E-mail: ytamaura@chem.titech.ac.jp

    2012-03-15

    When a concentrated solar beam is irradiated to the ceramics such as Ni-ferrite, the high-energy flux in the range of 1500-2500 kW/m2 is absorbed by an excess Frenkel defect formation. This non-equilibrium state defect is generated not by heating at a low heating-rate (30 K/min), but by irradiating high flux energy of concentrated solar beam rapidly at a high heating rate (200 K/min). The defect can be spontaneously converted to chemical energy of a cation-excess spinel structure (reduced-oxide form) at the temperature around 1773 K. Thus, the O{sub 2} releasing reaction (alpha-O{sub 2} releasing reaction) proceeds in two-steps; (1) high flux energy of concentrated solar beam absorption by formation of the non-equilibrium Frenkel defect and (2) the O{sub 2} gas formation from the O2- in the Frenkel defect even in air atmosphere. The 2nd step proceeds without the solar radiation. We may say that the 1st step is light reaction, and 2nd step, dark reaction, just like in photosynthesis process

  7. Heterocyclyl linked anilines and benzaldehydes as precursors for biologically significant new chemical entities

    Indian Academy of Sciences (India)

    Raman K Verma; Vijay Kumar; Prithwish Ghosh; Lalit K Wadhwa

    2012-09-01

    Benzylidene and benzyl thiazolidinediones, oxazolidinediones, isoxazolidinediones and their acyclic analogs like alpha alkylthio/alkoxy phenylpropanoic acids, beta-keto esters and tyrosine-based compounds possess broad therapeutic potential in general and as Peroxisome Proliferator Activated Receptors (PPARs) agonists in particular in the management of hyperglycemia and hyperlipidaemia for the treatment of Type 2 Diabetes (T2D). We have synthesised and characterized some novel and suitably substituted heterocyclyl linked benzaldehydes and anilines, which can be easily and very readily derivatized to all the above mentioned classes to generate new chemical entities of broader biological significance. Synthesis of their benzylidene thiazolidinedione and diethyl malonate and also benzyl diethyl malonate and alpha-bromoesters derivatives is reported in some of the cases in the present work.

  8. G-protein-coupled receptors and their (Bio) chemical significance win 2012 Nobel Prize in Chemistry.

    Science.gov (United States)

    Lin, Hsi-Hsien

    2013-01-01

    G-protein-coupled receptors (GPCRs) are seven transmembrane cell surface proteins specialized in cellular communication. These receptors represent a major gateway through which cells convert external cues into intracellular signals and respond with appropriate actions. While the effects of hormones, neurotransmitters, and drugs on cells, tissues, organs, and even whole organisms are well described, the molecular identity of the direct targets and the diverse signaling mechanisms of these biological ligands have been slow and hard to define. The Nobel Prize in Chemistry for the year 2012 acknowledges the importance of GPCRs in these processes, especially for the contribution of Profs Robert J. Lefkowitz and Brian K. Kobilka to the studies of GPCRs. In this brief review, the seminal works accomplished by the two GPCR pioneers are summarized and the (bio) chemical significance of GPCRs in health and disease is discussed.

  9. G-protein-Coupled Receptors and Their (Bio Chemical Significance Win 2012 Nobel Prize in Chemistry

    Directory of Open Access Journals (Sweden)

    Hsi-Hsien Lin

    2013-06-01

    Full Text Available G-protein-coupled receptors (GPCRs are seven transmembrane cell surface proteins specialized in cellular communication. These receptors represent a major gateway through which cells convert external cues into intracellular signals and respond with appropriate actions. While the effects of hormones, neurotransmitters, and drugs on cells, tissues, organs, and even whole organisms are well described, the molecular identity of the direct targets and the diverse signaling mechanisms of these biological ligands have been slow and hard to define. The Nobel Prize in Chemistry for the year 2012 acknowledges the importance of GPCRs in these processes, especially for the contribution of Profs Robert J. Lefkowitz and Brian K. Kobilka to the studies of GPCRs. In this brief review, the seminal works accomplished by the two GPCR pioneers are summarized and the (bio chemical significance of GPCRs in health and disease is discussed.

  10. Chemically and Thermally Stable High Energy Density Silicone Composites Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Thermal energy storage systems with 300 ? 1000 kJ/kg energy density through either phase changes or chemical heat absorption are sought by NASA. This proposed...

  11. Producing Bio-Based Bulk Chemicals Using Industrial Biotechnology Saves Energy and Combats Climate Change

    OpenAIRE

    Hermann, B.G.; de Blok, K; Patel, M.K. (Martin)

    2007-01-01

    The production of bulk chemicals from biomass can make a significant contribution to solving two of the most urgent environmental problems: climate change and depletion of fossil energy. We analyzed current and future technology routes leading to 15 bulk chemicals using industrial biotechnology and calculated their CO2 emissions and fossil energy use. Savings of more than 100% in non-renewable energy use and greenhouse gas emissions are already possible with current state of the art biotechno...

  12. Chemical effects of ionizing radiation and sonic energy in the context of chemical evolution

    International Nuclear Information System (INIS)

    Ionizing radiation and sonic energy are considered as sources for chemical evolution processes. These sources have still a modest place in the interdisciplinary approach for the prebiological synthesis of organic compounds. Studies in Radiation Chemistry and Sonochemistry can provide a deeper insight into the chemical processes that may have importance for prebiotic chemistry. The present work concerns the analysis of some chemical reactions induced by ionizing radiation or cavitation in aqueous media that may be relevant to chemical evolution studies. (author)

  13. Bandwidth Study on Energy Use and Potential Energy Saving Opportunities in U.S. Chemical Manufacturing

    Energy Technology Data Exchange (ETDEWEB)

    Sabine Brueske, Caroline Kramer, Aaron Fisher

    2015-06-01

    Energy bandwidth studies of U.S. manufacturing sectors can serve as foundational references in framing the range (or bandwidth) of potential energy savings opportunities. This bandwidth study examines energy consumption and potential energy savings opportunities in U.S. chemical manufacturing. The study relies on multiple sources to estimate the energy used in the production of 74 individual chemicals, representing 57% of sector-wide energy consumption. Energy savings opportunities for individual chemicals and for 15 subsectors of chemicals manufacturing are based on technologies currently in use or under development; these potential savings are then extrapolated to estimate sector-wide energy savings opportunity.

  14. Significance of Xenobiotic Metabolism for Bioaccumulation Kinetics of Organic Chemicals in Gammarus pulex

    OpenAIRE

    Ashauer, Roman; Hintermeister, Anita; O’Connor, Isabel; Elumelu, Maline; Hollender, Juliane; Escher, Beate I

    2012-01-01

    Bioaccumulation and biotransformation are key toxicokinetic processes that modify toxicity of chemicals and sensitivity of organisms. Bioaccumulation kinetics vary greatly among organisms and chemicals; thus, we investigated the influence of biotransformation kinetics on bioaccumulation in a model aquatic invertebrate using fifteen 14C-labeled organic xenobiotics from diverse chemical classes and physicochemical properties (1,2,3-trichlorobenzene, imidacloprid, 4,6-dinitro-o-cresol, ethylacry...

  15. Anisotropy vs chemical composition at ultra-high energies

    CERN Document Server

    Lemoine, Martin

    2009-01-01

    This paper proposes and discusses a test of the chemical composition of ultra-high energy cosmic rays that relies on the anisotropy patterns measured as a function of energy. In particular, we show that if one records an anisotropy signal produced by heavy nuclei of charge Z above an energy E_{thr}, one should record an even stronger (possibly much stronger) anisotropy at energies >E_{thr}/Z due to the proton component that is expected to be associated with the sources of the heavy nuclei. This conclusion remains robust with respect to the parameters characterizing the sources and it does not depend at all on the modelling of astrophysical magnetic fields. As a concrete example, we apply this test to the most recent data of the Pierre Auger Observatory. Assuming that the anisotropy reported above 55EeV is not a statistical accident, and that no significant anisotropy has been observed at energies 10^{45}Z^{-2}erg/s. Using this bound in conjunction with the above conclusions, we argue that the current PAO data...

  16. The Trouble with Chemical Energy: Why Understanding Bond Energies Requires an Interdisciplinary Systems Approach

    OpenAIRE

    Cooper, Melanie M.; Klymkowsky, Michael W.

    2013-01-01

    Helping students understand “chemical energy” is notoriously difficult. Many hold inconsistent ideas about what energy is, how and why it changes during the course of a chemical reaction, and how these changes are related to bond energies and reaction dynamics. There are (at least) three major sources for this problem: 1) the way biologists talk about chemical energy (which is also the way we talk about energy in everyday life); 2) the macroscopic approach to energy concepts that is common in...

  17. Producing Bio-Based Bulk Chemicals Using Industrial Biotechnology Saves Energy and Combats Climate Change

    NARCIS (Netherlands)

    Hermann, B.G.; Blok, K.; Patel, M.K.

    2007-01-01

    The production of bulk chemicals from biomass can make a significant contribution to solving two of the most urgent environmental problems: climate change and depletion of fossil energy. We analyzed current and future technology routes leading to 15 bulk chemicals using industrial biotechnology and

  18. Significance of vapor phase chemical reactions on CVD rates predicted by chemically frozen and local thermochemical equilibrium boundary layer theories

    Science.gov (United States)

    Gokoglu, Suleyman A.

    1988-01-01

    This paper investigates the role played by vapor-phase chemical reactions on CVD rates by comparing the results of two extreme theories developed to predict CVD mass transport rates in the absence of interfacial kinetic barrier: one based on chemically frozen boundary layer and the other based on local thermochemical equilibrium. Both theories consider laminar convective-diffusion boundary layers at high Reynolds numbers and include thermal (Soret) diffusion and variable property effects. As an example, Na2SO4 deposition was studied. It was found that gas phase reactions have no important role on Na2SO4 deposition rates and on the predictions of the theories. The implications of the predictions of the two theories to other CVD systems are discussed.

  19. Chemical trees minimizing energy and Hosoya index

    OpenAIRE

    Heuberger, Clemens; Wagner, Stephan G.

    2008-01-01

    The energy of a molecular graph is a popular parameter that is defined as the sum of the absolute values of a graph's eigenvalues. It is well known that the energy is related to the matching polynomial and thus also to the Hosoya index via a certain Coulson integral. Trees minimizing the energy under various additional conditions have been determined in the past, e.g., trees with a given diameter or trees with a perfect matching. However, it is quite a natural problem to minimize the energy o...

  20. A new principle of synthetic cascade utilization of chemical energy and physical energy

    Institute of Scientific and Technical Information of China (English)

    JIN; Hongguang; HONG; Hui; WANG; Baoqun; HAN; Wei; LIN; Rum

    2005-01-01

    We propose a new principle of the cascade utilization of both chemical energy and physical energy in energy systems with the integration of chemical processes and thermal cycles. Particularly, a general equation of energy levels of substance, Gibbs free energy of chemical reaction and physical energy is explicitly founded. On the basis of this equation, a chemical-looping combustion and an indirect combustion are investigated. Furthermore, a mechanism of energy release, with the combination of decreasing the energy level of Gibbs free energy and upgrading the energy level of low or middle- temperature thermal energy, is clarified. The promising results obtained here establish a theoretical basis for the further investigation of multi-function systems in which energy and the environment are compatible, and create a new approach to improve the performance of traditional thermal cycles.

  1. FMC Chemicals: Burner Management System Upgrade Improves Performance and Saves Energy at a Chemical Plant

    Energy Technology Data Exchange (ETDEWEB)

    None

    2004-07-01

    FMC Chemicals Corporation increased the efficiency of two large coal-fired boilers at its soda ash mine in Green River, Wyoming, by upgrading the burner management system. The project yields annual energy savings of 250,000 MMBtu.

  2. Allothermal gasification of biomass into chemicals and secondary energy carriers

    Energy Technology Data Exchange (ETDEWEB)

    Zwart, R.W.R. [ECN Biomass, Coal and Environmental Research, Petten (Netherlands)

    2009-09-15

    The outline of this presentation on the title subject states: Motivation for polygeneration; Allothermal gasification: the MILENA at ECN; Primary gas cleaning: the OLGA for tar removal; Possible secondary energy carriers; Possible chemicals; Polygeneration concept and its feasibility.

  3. Energy density for chiral lattice fermions with chemical potential

    CERN Document Server

    Gattringer, Christof

    2007-01-01

    We study a recently proposed formulation of overlap fermions at finite density. In particular we compute the energy density as a function of the chemical potential and the temperature. It is shown that overlap fermions with chemical potential reproduce the correct continuum behavior.

  4. 78 FR 50026 - Energy Efficiency and Conservation Loan Program Finding of No Significant Impact

    Science.gov (United States)

    2013-08-16

    ... Rural Utilities Service Energy Efficiency and Conservation Loan Program Finding of No Significant Impact... (RUS) has made a finding of no significant impact (FONSI) for implementing its new Energy Efficiency... 12 to authorize energy audits and energy efficiency measures and devices to reduce demand on...

  5. Chemical Expansion: Implications for Electrochemical Energy Storage and Conversion Devices

    DEFF Research Database (Denmark)

    Bishop, S.R.; Marrocchelli, D.; Chatzichristodoulou, Christodoulos;

    2014-01-01

    Many energy-related materials rely on the uptake and release of large quantities of ions, for example, Li+ in batteries, H+ in hydrogen storage materials, and O2− in solid-oxide fuel cell and related materials. These compositional changes often result in large volumetric dilation of the material...... modeling and an overview of factors impacting chemical expansion. We discuss the implications of chemical expansion for mechanical stability and functionality in the energy applications above, as well as in other oxide-based systems. The use of chemical expansion as a new means to probe other materials...

  6. 75 FR 4983 - Significant New Use Rules on Certain Chemical Substances

    Science.gov (United States)

    2010-02-01

    ... Register of April 24, 1990 (55 FR 17376). Consult that preamble for further information on the objectives... used as a chemical intermediate for the manufacture of a dye in imaging media/ products. Based on test..., developmental toxicity, mutagenicity, cancer, neurotoxicity, skin sensitization, hydrocarbon pneumonia,...

  7. 77 FR 61117 - Significant New Use Rules on Certain Chemical Substances

    Science.gov (United States)

    2012-10-05

    ... of the PMN substance. ] CFR citation: 40 CFR 721.10550. PMN Number P-05-613 Chemical name: Bisphenol S mono ether (generic). CAS number: Not available. Basis for action: The PMN states that the generic... direct final SNUR published in the Federal Register issue of April 24, 1990 (55 FR 17376) (April 24,...

  8. 77 FR 25235 - Significant New Use Rules on Certain Chemical Substances

    Science.gov (United States)

    2012-04-27

    ...'s first direct final SNUR published in the Federal Register issue of April 24, 1990 (55 FR 17376... described in the New Chemicals Program's PBT category (64 FR 60194, November 4, 1999) (FRL-6097-7). EPA... used as a polymerization initiator for thermoplastics and elastomers. EPA identified...

  9. 78 FR 4806 - Proposed Significant New Use Rule on Certain Chemical Substances

    Science.gov (United States)

    2013-01-23

    ..., P-10-59, and P-10-60 Chemical names: Partially fluorinated alcohol substituted glycols (generic.... 721.10515 to subpart E to read as follows: Sec. 721.10515 Partially fluorinated alcohol substituted... substances identified generically as partially fluorinated alcohol substituted glycols (PMN P-10-58, P-10-...

  10. 77 FR 20296 - Significant New Use Rules on Certain Chemical Substances

    Science.gov (United States)

    2012-04-04

    ... direct final SNUR published in the Federal Register issue of April 24, 1990 (55 FR 17376) (April 24, 1990... this rule, may be claimed as CBI. Unit IX. discusses a procedure companies may use to ascertain whether... reinforcements used in composites. Based on available information on analogous chemical substances, the...

  11. 78 FR 23184 - Proposed Significant New Use Rules on Certain Chemical Substances

    Science.gov (United States)

    2013-04-18

    ...-11-331, and P-11- 332 Chemical names: Distillates (lignocellulosic), C5-40 (P-11-327); Paraffin waxes... (PMN P-11-327; CAS No. 1267611-99-3); paraffin waxes (lignocellulosic) hydrotreated, C5-40-branched... section. 0 3. Add Sec. 721.10613 to subpart E to read as follows: Sec. 721.10613 Paraffin...

  12. A new approach of cascade utilization of the chemical energy of fuel

    Institute of Scientific and Technical Information of China (English)

    HAN Wei; JIN Hongguang; LIN Rumou

    2006-01-01

    The indirect release of chemical energy of fuel is investigated, and a new mechanism is proposed to identify the cascade utilization of chemical energy of fuel more clearly. Based on the concept of energy level, the internal phenomenon of the indirect chemical energy release is disclosed, and the equations of energy level describing the utilization of chemical energy and thermal energy during the indirect chemical energy release process are obtained. From theoretical analysis, we find that the superiority of the indirect chemical energy release of fuel comes from the cascade utilization of the fuel's chemical energy. Moreover, the cascade utilization of chemical energy is verified by the investigation of CRGT (chemically recuperated gas turbine). As a result, the thermal exergy obtained from the chemical energy release of fuel increases by 2 % -3 %. The results obtained here may help a deeper understanding of indirect chemical energy release of fuel and provide a theoretical basis for the synthesis of innovative energy systems.

  13. The Law of Conservation of Energy in Chemical Reactions

    CERN Document Server

    Stepanov, I A

    2000-01-01

    Earlier it has been supposed that the law of conservation of energy in chemical reactions has the following form: DU=DQ-PDV+SUM(muiDN) In the present paper it has been proved by means of the theory of ordinary differential equations that in the biggest part of the chemical reactions it must have the following form: DU=DQ+PDV+SUM(muiDN) The result obtained allows to explain a paradox in chemical thermodynamics: the heat of chemical processes measured by calorimetry and by the Vant-Hoff equation differs very much from each other. The result is confirmed by many experiments.

  14. Processes and environmental significance of the subglacial chemical deposits in Tianshan Mountains

    Institute of Scientific and Technical Information of China (English)

    LIU; Gengnian; LUO; Risheng; CAO; Jun

    2005-01-01

    On the bedrock surface of Glacier No.1 in the headwater of Urumqi River, Tianshan Mts., well layered and crystallized subglacial calcite precipitations were discovered. Based on observations and analysis of the surface form, sedimentary texture and structure, and chemical composition of the deposits, clues about the subglacial processes and environment are deduced. The radial-growth crustation texture of the deposits, which builds up in the saturated CaCO3 solution, proves the existence of pressure melting water and water films under Glacier No.1; and their rhythmic beddings, dissolved planes and unconformable contacts show that the water films responsible for the formation of these structures were in a wide range of spatial as well as temporal variations. Though formed under continental glacier in non-limestone area, the deposits are quite similar to those formed under temperate glaciers in limestone areas, a fact that shows a similar process of chemical precipitation between the two. Hence the enrichment of calcium in the subglacial melting water and the process of precipitation have actually little to do with the bedrock lithology and the glacier types. The cemented detritus in the deposits are rich in Fe and Al while depleted in K, Na and Si; also the included clay mineral consists mainly of illite, which reveals some weak chemical weathering under the continental glacier. The subglacial CaCO3 precipitates when plenty of Ca++ melt into the subglacial melting water on a comparatively enclosed ice-bedrock interface under a high CO2 partial pressure, the forming of subglacial chemical deposits therefore offers unequivocal evidence for the ongoing of subglacial chemical reactions.

  15. The Trouble with Chemical Energy: Why Understanding Bond Energies Requires an Interdisciplinary Systems Approach

    Science.gov (United States)

    Cooper, Melanie M.; Klymkowsky, Michael W.

    2013-01-01

    Helping students understand "chemical energy" is notoriously difficult. Many hold inconsistent ideas about what energy is, how and why it changes during the course of a chemical reaction, and how these changes are related to bond energies and reaction dynamics. There are (at least) three major sources for this problem: 1) the way biologists talk…

  16. Chemical energy sources transformations by remote experiment

    OpenAIRE

    Tkáč, Lukáš; Schauer, František; Gerhátová, Žaneta

    2014-01-01

    The paper describes the first experience with the set up, functioning and data evaluation of the remote experiment "Energy transformation" accessible via Internet (http://remotelab10.truni.sk ) as a part of the e-laboratory at the Department of Physics, Faculty of Education, Trnava University in Trnava, Slovakia. The remote experiment control and data acquisition is based on the system ISES (Internet School Experimental System) and its control program and www page are built using the environm...

  17. Electrochemical energy engineering: a new frontier of chemical engineering innovation.

    Science.gov (United States)

    Gu, Shuang; Xu, Bingjun; Yan, Yushan

    2014-01-01

    One of the grand challenges facing humanity today is a safe, clean, and sustainable energy system where combustion no longer dominates. This review proposes that electrochemical energy conversion could set the foundation for such an energy system. It further suggests that a simple switch from an acid to a base membrane coupled with innovative cell designs may lead to a new era of affordable electrochemical devices, including fuel cells, electrolyzers, solar hydrogen generators, and redox flow batteries, for which recent progress is discussed using the authors' work as examples. It also notes that electrochemical energy engineering will likely become a vibrant subdiscipline of chemical engineering and a fertile ground for chemical engineering innovation. To realize this vision, it is necessary to incorporate fundamental electrochemistry and electrochemical engineering principles into the chemical engineering curriculum. PMID:24702299

  18. Chemical dynamics in time and energy space

    Energy Technology Data Exchange (ETDEWEB)

    Myers, J.D.

    1993-04-01

    The development of a versatile picosecond ultraviolet/vacuum ultraviolet temporal spectrometer and its potential use for measuring internal energy redistribution in isolated molecules are described in detail. A detailed description of the double-pass Nd:YAG amplifier and the dye amplifiers is given with the pulse energies achieved in the visible, ultraviolet, and vacuum ultraviolet. The amplified visible pulses are shown to be of sub-picosecond duration and near transform limited. The instrument`s temporal response ({le}10 ps) is derived from an instrument limited measurement of the dissociation lifetime of methyl iodide at 266 nm. The methyl iodide experiment is used to discuss the various sources of noise and background signals that are intrinsic to this type of experiment. Non-time-resolved experiments measuring the branching ratio and kinetic energy distributions of products from the 193 nm photodissociation of cyclopentadiene and thiophene are presented. These studies were done using the molecular beam Photofragment Translational Spectroscopy (PTS) technique. The results from the cyclopentadiene experiment confirm that H atom elimination to yield the cyclopentadienyl radical is the dominant dissociation channel. A barrier of {ge}5 kcal/mol can be understood in terms of the delocalization of the radical electron of the cyclopentadienyl fragment. A concerted elimination yielding cyclopropene and acetylene was also observed and is proposed to occur via a bicyclo-[2.1.0]pent-2-ene intermediate. Two other channels, yielding acetylene plus the CH{sub 2}CHCH triplet carbene, and CH{sub 2} plus 1-buten-3-yne, are postulated to occur via ring opening. The implications of the experimental results for bulk thermal oxidation and pyrolysis models are discussed. The thiophene experiment shows six competing dissociation channels. The postulated intermediates for the various thiophene dissociation channels include bicyclo, ring opened, and possibly ring contracted forms.

  19. Significance of oil droplets in chemically enhanced water-accommodated fraction

    Energy Technology Data Exchange (ETDEWEB)

    Ramachandran, S. [Queen' s Univ., Kingston, ON (Canada). School of Environmental Studies; Hodson, P.V.; Lee, K. [Department of Fisheries and Oceans, Dartmouth, NS (Canada). Bedford Inst. of Oceanography

    2003-07-01

    This presentation described the controversial use of chemical dispersions to treat oil spills on water. Dispersants break up the spill in order to reduce shoreline impacts, but the dispersant drives the oil into the water column in the form of droplets, thereby temporarily increasing hydrocarbon concentrations and causing negative impacts on aquatic organisms. Exposure experiments have been conducted on rainbow trout exposed to Mesa and Scotian Light Crude Oil, with and without oil droplets. The studies showed that the levels of polycyclic aromatic hydrocarbons (PAH) was higher in the trout exposed to Corexit water-accommodated fractions, compared to water-accommodated fractions. The results suggest that dispersing crude oil sustains hydrocarbon concentrations in a larger volume of water than if it were not dispersed. The oil droplets increase the partitioning of PAH into the water solution. They adhere to the gills of the fish, thereby facilitating direct uptake.

  20. Berry Shriveling Significantly Alters Shiraz (Vitis vinifera L.) Grape and Wine Chemical Composition.

    Science.gov (United States)

    Šuklje, Katja; Zhang, Xinyi; Antalick, Guillaume; Clark, Andrew C; Deloire, Alain; Schmidtke, Leigh M

    2016-02-01

    Berry shriveling is an often reported occurrence in the Shiraz (Vitis vinifera L.) cultivar. This study investigated the effect of berry shriveling occurring in a high yielding (18.6 ± 1.6 kg/vine) Shiraz vineyard in relation to a temporal investigation of grape and wine composition using three harvest dates. Berry shriveling resulted in delayed total soluble solids and amino acid accumulation into the berry, however differences between treatments diminished or became smaller by the third harvest date. Similarly, ethyl esters of fatty acids and higher alcohol acetates were lower in wines from shriveled berries from the first two harvests; anthocyanins were reduced in wines from shriveled berries at all harvest dates, whereas terpenes were unaltered. Wines made from shriveled berries had higher γ-nonalactone and β-damascenone concentrations. This study provides novel information on the chemical alterations of grapes and wines made from grapes affected by shriveling.

  1. Chemical reactions driven by concentrated solar energy

    Science.gov (United States)

    Levy, Moshe

    Solar energy can be used for driving endothermic reactions, either photochemically or thermally. The fraction of the solar spectrum that can be photochemically active is quite small. Therefore, it is desirable to be able to combine photochemical and thermal processes in order to increase the overall efficiency. Two thermally driven reactions are being studied: oil shale gasification and methane reforming. In both cases, the major part of the work was done in opaque metal reactors where photochemical reactions cannot take place. We then proceeded working in transparent quartz reactors. The results are preliminary, but they seem to indicate that there may be some photochemical enhancement. The experimental solar facilities used for this work include the 30 kW Schaeffer Solar Furnace and the 3 MW Solar Central Receiver in operation at the Weizmann Institute. The furnace consists of a 96 sq. m flat heliostat, that follows the sun by computer control. It reflects the solar radiation onto a spherical concentrator, 7.3 m in diameter, with a rim angle of 65 degrees. The furnace was characterized by radiometric and calorimetric measurements to show a solar concentration ratio of over 10,000 suns. The central receiver consists of 64 concave heliostats, 54 sq. m each, arranged in a north field and facing a 52 m high tower. The tower has five target levels that can be used simultaneously. The experiments with the shale gasification were carried out at the lowest level, 20 m above ground, which has the lowest solar efficiency and is assigned for low power experiments. We used secondary concentrators to boost the solar flux.

  2. Periodic Table Target: A Game that Introduces the Biological Significance of Chemical Element Periodicity

    Science.gov (United States)

    Sevcik, Richard S.; McGinty, Ragan L.; Schultz, Linda D.; Alexander, Susan V.

    2008-01-01

    Periodic Table Target, a game for middle school or high school students, familiarizes students with the form of the periodic table and the biological significance of different elements. The Periodic Table Target game board is constructed as a class project, and the game is played to reinforce the content. Students are assigned several elements…

  3. 78 FR 12684 - Proposed Significant New Use Rules on Certain Chemical Substances

    Science.gov (United States)

    2013-02-25

    ... Register of April 24, 1990 (55 FR 17376). Consult that preamble for further information on the objectives.... Establishment and use of a hazard communication program. The SNUR would designate as a ``significant new use... (non- confidential) use of the substance will be as a sensor element in an electrochemical...

  4. Germ cell toxicity: significance in genetic and fertility effects of radiation and chemicals

    International Nuclear Information System (INIS)

    The primordial germ cells originate in the region of the caudal end of the primitive streak, root of the allantois, and yolk sac splanchnopleure, and migrate to the gonadal ridges where they divide to form the oogonia of the female and gonocytes of the male. In the female, the transition to oocytes occurs in utero, and the female mammal is born with a finite number of oocytes that cannot be replaced. By contrast, the gonocytes of the male initiate divisions soon after birth to form the spermatogonial stem cells, which persist throughout reproductive life of the male and are capable of regenerating the seminiferous epithelium after injury. As a result of these basic differences in gametogenesis, the response of the male and female to radiation and chemicals is different. The response of both the male and female changes with development of the embryonic to the adult gonad, and with differentiation and maturation in the adult. The primordial germ cells, early oocytes, and differentiating spermatogonia of the adult male are unusually sensitive to the cytotoxic action of noxious agents, but each agent elicits a specific response owing to the intricate biochemical and physiological changes associated with development and maturation of the gametes. The relationship of germ cell killing to fertility is direct, and long-term fertility effects can be predicted from histological analysis of the gonads. The relationship to genetic effects, on the other hand, is indirect, and acts primarily by limiting the cell stages available for testing, by affecting the distribution of mitotically active stem cells among the different stages of the mitotic cycle, and thereby changing both the type and frequency of genetic effects observed

  5. On the chemical composition of cosmic rays of highest energy

    CERN Document Server

    Wilk, Grzegorz

    2010-01-01

    We present arguments aiming to reconcile the apparently contradictory results concerning the chemical composition of cosmic rays of highest energy, coming recently from Auger and HiRes collaborations. In particular, we argue that the energy dependence of the mean value and root mean square fluctuation of shower maxima distributions observed by the Auger experiment are not caused by the change of nuclear composition of primary cosmic rays.

  6. Chemical Instability in Heavy Ion Collisions at Intermediate Energies

    Institute of Scientific and Technical Information of China (English)

    ZhangFengshou; LiWenfei

    2003-01-01

    With the establishment of secondary beam facilities at many laboratories around the world, one can investi-gate the properties of nuclei very far from the β stability line and isospin degrees of freedom in nuclear reactions at wide energy ranges. It is also possible to explore the chemical instability of hot and isospin-asymmetric nuclear matter. A better agreement with the experimental data has been found in our recent study by means of an isospin dependent quantum molecular dynamics (IQMD) mode. Recently experiments really reported the isospin dependence of multifragment production in reactions of 58Fe+58Fe and 58Ni+58Ni at higher incident energ.y; These phenomena may be related to the chemical instability in HIC induced by neutron-rich nuclei and therefore it is a challenge for theoretical and experimental nuclear physicists to investigate the chemical instability in heavv ion collisions.

  7. Multi-energy techniques for radiographic monitoring of chemical composition

    CERN Document Server

    Naydenov, S V

    2003-01-01

    A theoretical model of multi-energy radiography (MER) are proposed. It is shown that, as distinct from the conventional radiography, MER allows identification of organic substances and control of their chemical composition. Broad prospects are noted for MER application, specifically, for detection of prohibited substances (explosives, drugs, etc.) during customs and anti-terrorist safety inspection.

  8. Energy use and energy intensity of the U.S. chemical industry

    OpenAIRE

    Worrell, Ernst; Phylipsen, Dian; Einstein, Dan; Martin, Nathan

    2000-01-01

    The U.S. chemical industry is the largest in the world, and responsible for about 11 percent of the U.S. industrial production measured as value added. It consumes approximately 20 percent of total industrial energy consumption in the U.S. (1994), and contributes in similar proportions to U.S. greenhouse gas emissions. Surprisingly, there is not much information on energy use and energy intensity in the chemical industry available in the public domain. This report provides detailed info...

  9. Contents of chemical elements in stomach during prenatal development: different age-dependent dynamical changes and their significance

    Institute of Scientific and Technical Information of China (English)

    Shao-Fan Hou; Hai-Rong Li; Li-Zhen Wang; De-Zhu Li; Lin-Sheng Yang; Chong-Zheng Li

    2003-01-01

    AIM: To observe dynamic of different chemical elements in stomach tissue during fetal development.METHODS: To determine contents of the 21 chemical elements in each stomach samples from fetus aging four to ten months. The content values were compared to those from adult tissue samples, and the values for each month group were also analyzed for dynamic changes.RESULTS: Three representations were found regarding the relationship between contents of the elements and ages of the fetus, including the positive correlative (K), reversely correlative (Na, Ca, P, Al, Cu, Zn, Fe, Mn, Cr, Sr, Li, Cd, Ba,Se ) and irrelevant groups (Mg, Co, Ni, V, Pb, Ti).CONCLUSION: The chemical elements' contents in stomach tissues were found to change dynamically with the stomach weights. The age-dependent representations for different chemical elements during the prenatal development may be of some significance for assessing development of fetal stomach and some chemical elements. The data may be helpful for the nutritional balance of fetus and mothers during prenatal development and even the perinatal stages.

  10. Chemical energy conversion as enabling factor to move to a renewable energy economy

    Energy Technology Data Exchange (ETDEWEB)

    Abate, Salvatore; Centi, Gabriele; Perathoner, Siglinda [Mesina Univ. (Italy). Section Industrial Chemistry; ERIC aisbl and INSTM/CASPE, Messina (Italy)

    2015-07-01

    The role of chemical energy storage and solar fuels as key elements for the sustainable chemical and energy production is discussed in this concept paper. It is shown how chemical energy storage, with the development of drop-in carbon-based solar fuels, will play a central role in the future low-carbon economy, but it is necessary to consider its out-of-the-grid use, rather than being limited to be a tool for smart grids. Related aspects discussed are the possibility to: (i) enable a system of trading renewable energy on a world scale (out-of-the-grid), including the possibility to exploit actually unused remote resources, (ii) develop a solar-driven and low-carbon chemical production, which reduces the use of fossil fuels and (iii) create a distributed energy production, going beyond the actual limitations and dependence on the grid.

  11. Chemical energy conversion as enabling factor to move to a renewable energy economy

    International Nuclear Information System (INIS)

    The role of chemical energy storage and solar fuels as key elements for the sustainable chemical and energy production is discussed in this concept paper. It is shown how chemical energy storage, with the development of drop-in carbon-based solar fuels, will play a central role in the future low-carbon economy, but it is necessary to consider its out-of-the-grid use, rather than being limited to be a tool for smart grids. Related aspects discussed are the possibility to: (i) enable a system of trading renewable energy on a world scale (out-of-the-grid), including the possibility to exploit actually unused remote resources, (ii) develop a solar-driven and low-carbon chemical production, which reduces the use of fossil fuels and (iii) create a distributed energy production, going beyond the actual limitations and dependence on the grid.

  12. ENERGY SPECTRUM AND CHEMICAL COMPOSITION OF ULTRAHIGH ENERGY COSMIC RAYS FROM SEMI-RELATIVISTIC HYPERNOVAE

    Energy Technology Data Exchange (ETDEWEB)

    Liu Ruoyu; Wang Xiangyu [Department of Astronomy, Nanjing University, Nanjing 210093 (China)

    2012-02-10

    It has been suggested that hypernova remnants, with a substantial amount of energy in semi-relativistic ejecta, can accelerate intermediate mass or heavy nuclei to ultrahigh energies and provide a sufficient amount of energy in cosmic rays to account for the observed flux. We here calculate the expected energy spectrum and chemical composition of ultrahigh energy cosmic rays from such semi-relativistic hypernovae. With a chemical composition equal to that of the hypernova ejecta and a flat or hard spectrum for cosmic rays at the sources, the spectrum and composition of the propagated cosmic rays observed at the Earth can be compatible with the measurements by the Pierre Auger Observatory.

  13. Quarterly Progress Report for the Chemical and Energy Research Section of the Chemical Technology Division: April-June 1998

    Energy Technology Data Exchange (ETDEWEB)

    Jubin, R.T.

    1999-04-01

    This report summarizes the major activities conducted in the Chemical and Energy Research Section of the Chemical Technology Division at Oak Ridge National Laboratory (ORNL) during th eperiod April-June 1998. The section conducts basic and applied research and development in chemical engineering, applied chemistry, and bioprocessing, with an emphasis on energy-driven technologies and advanced chemical separations for nuclear and waste applications.

  14. Progress Report for the Chemical and Energy Research Section of the Chemical Technology Division: July-December 1998

    Energy Technology Data Exchange (ETDEWEB)

    Jubin, R.T.

    1999-06-01

    This report summarizes the major activities conducted in the Chemical and Energy Research Section of the Chemical Technology Division at Oak Ridge National Laboratory (ORNL) during the period July-December 1998. The section conducts basic and applied research and development in chemical engineering, applied chemistry, and bioprocessing, with an emphasis on energy-driven technologies and advanced chemical separations for nuclear and waste applications.

  15. Solar-driven chemical energy source for a Martian biota

    Science.gov (United States)

    Clark, B. C.

    1979-01-01

    Microorganisms deep in the Martian soil could derive energy indirectly from the sun via chemical reactions involving atmospheric photolysis products of the solar ultraviolet flux. The Viking discovery of a chemically uniform regolith which, though poor in organics, is rich in sulfur-containing compounds suggests reaction sequences in which sulfur is recycled through reduced and oxidized states by biologically catalyzed reactions with photochemically-produced atmospheric constituents. One candidate reaction, reduction of soil sulfate minerals by molecular hydrogen, is already exploited on earth by bacteria of the ubiquitous and tenacious Desulfovibrio genus.

  16. Thermal energy storage using thermo-chemical heat pump

    International Nuclear Information System (INIS)

    Highlights: ► Understanding of the performance of thermo chemical heat pump. ► Tool for storing thermal energy. ► Parameters that affect the amount of thermal stored energy. ► Lithium chloride has better effect on storing thermal energy. - Abstract: A theoretical study was performed to investigate the potential of storing thermal energy using a heat pump which is a thermo-chemical storage system consisting of water as sorbet, and sodium chloride as the sorbent. The effect of different parameters namely; the amount of vaporized water from the evaporator, the system initial temperature and the type of salt on the increase in temperature of the salt was investigated and hence on the performance of the thermo chemical heat pump. It was found that the performance of the heat pump improves with the initial system temperature, with the amount of water vaporized and with the water remaining in the system. Finally it was also found that lithium chloride salt has higher effect on the performance of the heat pump that of sodium chloride.

  17. Free Energy Transduction in a Chemical Motor Model

    CERN Document Server

    Baker, J E

    2003-01-01

    Motor enzymes catalyze chemical reactions, like the hydrolysis of ATP, and in the process they also perform work. Recent studies indicate that motor enzymes perform work with specific intermediate steps in their catalyzed reactions, challenging the classic view (in Brownian motor models) that work can only be performed within biochemical states. An alternative class of models (chemical motor models) has emerged in which motors perform work with biochemical transitions, but many of these models lack a solid physicochemical foundation. In this paper, I develop a self consistent framework for chemical motor models. This novel framework accommodates multiple pathways for free energy transfer, predicts rich behaviors from the simplest multi motor systems, and provides important new insights into muscle and motor function.

  18. Proceedings of the DOE chemical energy storage and hydrogen energy systems contracts review

    Energy Technology Data Exchange (ETDEWEB)

    1980-02-01

    Sessions were held on electrolysis-based hydrogen storage systems, hydrogen production, hydrogen storage systems, hydrogen storage materials, end-use applications and system studies, chemical heat pump/chemical energy storage systems, systems studies and assessment, thermochemical hydrogen production cycles, advanced production concepts, and containment materials. (LHK)

  19. Chemical metrology, strategic job for the Chilean Nuclear Energy Commission

    International Nuclear Information System (INIS)

    The National Standardization Institute's (INN) Metrology unit prepared a study in 1996 to evaluate the impact of metrological activity in Chile. This study was based on a survey of the supply and demand of metrological services and on studies of the behavior of the production system and technological services in Chile during the period 1990-1996. With the information obtained in this study the economic impact resulting from the lack of a national metrology system could be evaluated. This impact was estimated to be a 5% loss in gross national product equal to 125-500 million dollars because of direct product rejection in the mining, fisheries, agricultural and manufacturing sectors. Chemical measurements are responsible for 50% of these losses. In response to this need and coordinated by the INN, a metrological network of reference laboratories began to operate in 1997 for the principal physical magnitudes (mass, temperature, longitude and force) and a CORFO-FDI project began in 2001 that includes the chemical magnitudes. The Chilean Nuclear Energy Commission, aware of the problem's importance and the amount of economic damage that the country may suffer, as a result of these deficiencies, has formed a Chemical Metrology Unit to provide technical support. It aims to raise the standards of local analytical laboratories by providing international recognition to the export sector. Nuclear analytical techniques are used as reference methods. This work describes the laboratories that are included in this Chemical Metrology Unit and the historical contribution to the development of local analytical chemistry. The national and international projects are described together with the publications they have generated. The quality assurance program applied to the laboratories is described as well, which has led to the accreditation of the analytical chemical assays. The procedures used for validation and calculation of uncertain nuclear methodologies are described together with

  20. Determination of the chemical potential using energy-biased sampling

    CERN Document Server

    Delgado-Buscalioni, R; Coveney, P V

    2005-01-01

    An energy-biased method to evaluate ensemble averages requiring test-particle insertion is presented. The method is based on biasing the sampling within the subdomains of the test-particle configurational space with energies smaller than a given value freely assigned. These energy-wells are located via unbiased random insertion over the whole configurational space and are sampled using the so called Hit&Run algorithm, which uniformly samples compact regions of any shape immersed in a space of arbitrary dimensions. Because the bias is defined in terms of the energy landscape it can be exactly corrected to obtain the unbiased distribution. The test-particle energy distribution is then combined with the Bennett relation for the evaluation of the chemical potential. We apply this protocol to a system with relatively small probability of low-energy test-particle insertion, liquid argon at high density and low temperature, and show that the energy-biased Bennett method is around five times more efficient than t...

  1. Quarterly progress report for the Chemical and Energy Research Section of the Chemical Technology Division: January--March 1997

    Energy Technology Data Exchange (ETDEWEB)

    Jubin, R.T.

    1998-01-01

    This report summarizes the major activities conducted in the Chemical and Energy Research Section of the Chemical Technology Division (CTD) at Oak Ridge National Laboratory (ORNL) during the period January--March 1997. Created in March 1997 when the CTD Chemical Development and Energy Research sections were combined, the Chemical and Energy Research Section conducts basic and applied research and development in chemical engineering, applied chemistry, and bioprocessing, with an emphasis on energy-driven technologies and advanced chemical separations for nuclear and waste applications. The report describes the various tasks performed within seven major areas of research: Hot Cell Operations, Process Chemistry and Thermodynamics, Molten Salt Reactor Experiment (MSRE) Remediation Studies, Chemistry Research, Separations and Materials Synthesis, Solution Thermodynamics, and Biotechnology Research. The name of a technical contact is included with each task described in the report, and readers are encouraged to contact these individuals if they need additional information.

  2. Holey tungsten oxynitride nanowires: novel anodes efficiently integrate microbial chemical energy conversion and electrochemical energy storage.

    Science.gov (United States)

    Yu, Minghao; Han, Yi; Cheng, Xinyu; Hu, Le; Zeng, Yinxiang; Chen, Meiqiong; Cheng, Faliang; Lu, Xihong; Tong, Yexiang

    2015-05-20

    Holey tungsten oxynitride nanowires with superior conductivity, good biocompatibility, and good stability achieve excellent performance as anodes for both asymmetric supercapacitors and microbial fuel cells. Moreover, an innovative system is devised based on these as-prepared tungsten oxynitride anodes, which can simultaneously realize both energy conversion from chemical to electric energy and its storage. PMID:25854325

  3. Thermal energy storage. [by means of chemical reactions

    Science.gov (United States)

    Grodzka, P. G.

    1975-01-01

    The principles involved in thermal energy storage by sensible heat, chemical potential energy, and latent heat of fusion are examined for the purpose of evolving selection criteria for material candidates in the low ( 0 C) and high ( 100 C) temperature ranges. The examination identifies some unresolved theoretical considerations and permits a preliminary formulation of an energy storage theory. A number of candidates in the low and high temperature ranges are presented along with a rating of candidates or potential candidates. A few interesting candidates in the 0 to 100 C region are also included. It is concluded that storage by means of reactions whose reversibility can be controlled either by product removal or by catalytic means appear to offer appreciable advantages over storage with reactions whose reversability cannot be controlled. Among such advantages are listed higher heat storage capacities and more favorable options regarding temperatures of collection, storage, and delivery. Among the disadvantages are lower storage efficiencies.

  4. Surface chemical reactions induced by well-controlled molecular beams: translational energy and molecular orientation control

    Energy Technology Data Exchange (ETDEWEB)

    Okada, Michio, E-mail: okada@chem.sci.osaka-u.ac.j, E-mail: mokada@cw.osaka-u.ac.j [Renovation Center of Instruments for Science Education and Technology, Osaka University, Mihogaoka 8-1, Ibaraki, Osaka 567-0047 and 1-2 Machikaneyama-cho, Toyonaka, Osaka 560-0043 (Japan)

    2010-07-07

    I review our recent studies of chemical reactions on single-crystalline Cu and Si surfaces induced by hyperthermal oxygen molecular beams and by oriented molecular beams, respectively. Studies of oxide formation on Cu induced by hyperthermal molecular beams suggest that the translational energy of the incident molecules plays a significant role. The use of hyperthermal molecular beams enables us to open up new chemical reaction paths, and to develop new methods for the fabrication of thin films. Oriented molecular beams also demonstrate the possibility for controlling surface chemical reactions by varying the orientation of the incident molecules. The steric effects found on Si surfaces hint at new ways of achieving material fabrication on Si surfaces. Controlling the initial conditions of incoming molecules is a powerful tool for creating new materials on surfaces with well-controlled chemical reactions. (topical review)

  5. Energy use and energy intensity of the U.S. chemical industry

    Energy Technology Data Exchange (ETDEWEB)

    Worrell, E.; Phylipsen, D.; Einstein, D.; Martin, N.

    2000-04-01

    The U.S. chemical industry is the largest in the world, and responsible for about 11% of the U.S. industrial production measured as value added. It consumes approximately 20% of total industrial energy consumption in the U.S. (1994), and contributes in similar proportions to U.S. greenhouse gas emissions. Surprisingly, there is not much information on energy use and energy intensity in the chemical industry available in the public domain. This report provides detailed information on energy use and energy intensity for the major groups of energy-intensive chemical products. Ethylene production is the major product in terms of production volume of the petrochemical industry. The petrochemical industry (SIC 2869) produces a wide variety of products. However, most energy is used for a small number of intermediate compounds, of which ethylene is the most important one. Based on a detailed assessment we estimate fuel use for ethylene manufacture at 520 PJ (LHV), excluding feedstock use. Energy intensity is estimated at 26 GJ/tonne ethylene (LHV), excluding feedstocks.The nitrogenous fertilizer production is a very energy intensive industry, producing a variety of fertilizers and other nitrogen-compounds. Ammonia is the most important intermediate chemical compound, used as basis for almost all products. Fuel use is estimated at 268 PJ (excluding feedstocks) while 368 PJ natural gas is used as feedstock. Electricity consumption is estimated at 14 PJ. We estimate the energy intensity of ammonia manufacture at 39.3 GJ/tonne (including feedstocks, HHV) and 140 kWh/tonne, resulting in a specific primary energy consumption of 40.9 GJ/tonne (HHV), equivalent to 37.1 GJ/tonne (LHV). Excluding natural gas use for feedstocks the primary energy consumption is estimated at 16.7 GJ/tonne (LHV). The third most important product from an energy perspective is the production of chlorine and caustic soda. Chlorine is produced through electrolysis of a salt-solution. Chlorine production is

  6. ANALYSIS OF THERMAL-CHEMICAL CHARACTERISTICS OF BIOMASS ENERGY PELLETS

    Directory of Open Access Journals (Sweden)

    Zorica Gluvakov

    2014-09-01

    Full Text Available In modern life conditions, when emphasis is on environmental protection and sustainable development, fuels produced from biomass are increasingly gaining in importance, and it is necessary to consider the quality of end products obtained from biomass. Based on the existing European standards, collected literature and existing laboratory methods, this paper presents results of testing individual thermal - chemical properties of biomass energy pellets after extrusion and cooling the compressed material. Analysing samples based on standard methods, data were obtained on the basis of which individual thermal-chemical properties of pellets were estimated. Comparing the obtained results with the standards and literature sources, it can be said that moisture content, ash content and calorific values are the most important parameters for quality analysis which decide on applicability and use-value of biomass energy pellets, as biofuel. This paper also shows the impact of biofuels on the quality of environmental protection. The conclusion provides a clear statement of quality of biomass energy pellets.

  7. Fate and residues of pesticides and other agriculturally significant chemicals in livestock and poultry as determined by radiotracer techniques

    International Nuclear Information System (INIS)

    Studies in the author's laboratories during this 5-year program have involved the use of radioisotope techniques (radiocarbon, tritium) to evaluate the fate of several agriculturally-significant chemicals in food animals. Included were studies of the fate of radiolabeled preparations of the organophosphorus insecticide, RH-0994, in a lactating cow; of the organophosphorus insecticide, coumaphos, after dermal application to goats as a pour on formulation; of the synthetic pyrethroid insecticide, resmethrin, in lactating cattle and laying hens; of the growth promoting drug, β-estradiol, after intramuscular injection into steer calves; of the environmental contaminants 4-chlorophenyl methyl sulfide and -sulfone in cattle and sheep; of the potent photosensitizer, xanthotoxin, in a goat, in bovine rumen fluid, and in laying hens; and of the trichothecene mycotoxin, T-2 toxin, in bovine rumen fluid. In these studies, particular emphasis was placed upon elucidation of the chemical nature of metabolic products generated, and upon quantification as appropriate of residues retained by edible tissues or secreted into milk or eggs. (author)

  8. The Quest for Greater Chemical Energy Storage: A Deceiving Game of Nanometer Manipulation

    Science.gov (United States)

    Lindsay, C. Michael

    2015-06-01

    It is well known that modern energetic materials based on organic chemistry have nearly reached a plateau in performance with only ~ 40% improvement realized over the past half century. This fact has stimulated research on alternative chemical energy storage schema in various US government funded ``High Energy Density Materials'' (HEDM) programs since the 1950's. These efforts have examined a wide range of phenomena such as free radical stabilization, metallic hydrogen, metastable helium, polynitrogens, extended molecular solids, nanothermites, and others. In spite of the substantial research investments, significant improvements in energetic material performance have not been forthcoming. In this talk we will survey various fundamental modes of chemical energy storage, lesson's learned in the various HEDM programs, and areas that are being explored currently. A recurring theme in all of this work is the challenge to successfully manipulate and stabilize matter at the ~ 1 nm scale.

  9. Quarterly Progress Report for the Chemical and Energy Research Section of the Chemical Technology Division: January-March 1998

    Energy Technology Data Exchange (ETDEWEB)

    Jubin, R.T.

    1999-03-01

    This report summarizes the major activities conducted in the Chemical and Energy Research Section of the Chemical Technology Division at Oak Ridge National Laboratory (ORNL) during the period January-March 1998. The section conducts basic and applied research and development in chemical engineering, applied chemistry, and bioprocessing, with an emphasis on energy driven technologies and advanced chemical separations for nuclear and waste applications. The report describes the various tasks performed within nine major areas of research: Hot Cell Operations, Process Chemistry and Thermodynamics, Molten Salt Reactor Experiment (MSRE) Remediation Studies, Chemistry Research, Biotechnology, Separations and Materials Synthesis, Fluid Structure and Properties, Biotechnology Research, and Molecular Studies.

  10. Chemical energy powered nano/micro/macromotors and the environment.

    Science.gov (United States)

    Moo, James Guo Sheng; Pumera, Martin

    2015-01-01

    The rise of miniaturized artificial self-powered devices, demonstrating autonomous motion, has brought in new considerations from the environmental perspective. This review addresses the interplay between these nano/micro/macromotors and the environment, recent advances, and their applications in pollution management. Such self-propelled devices are able to actuate chemical energy into mechanical motion in situ, adding another powerful dimension towards solving environmental problems. Use of synthetic nano/micro/macromotors has demonstrated potential in environmental remediation, both in pollutant removal and contaminant degradation, owing to motion-induced mixing. At the same time, the chemical environment exerts influence on the locomotion of the motors. These sensitized self-powered devices demonstrate capabilities for being deployed as sensors and their chemotactic behaviors show efficacy to act as first responders towards a chemical leakage. Thus, the notion of a self-propelling entity also entails further investigation into its inherent toxicity and possible implications as a pollutant. Future challenges and outlook of the use of these miniaturized devices are discussed, with specific regard to the fields of environmental remediation and monitoring, as we move towards their wider acceptance. We believe that these tiny machines will stand up to the task as solutions for environmental sustainability in the 21st century. PMID:25410790

  11. Combined chemical looping for energy storage and conversion

    Science.gov (United States)

    Galvita, Vladimir V.; Poelman, Hilde; Marin, Guy B.

    2015-07-01

    Combined chemical looping was demonstrated as novel concept of energy storage in a laboratory scale test. The proposed technology is able to store and release energy from redox chemical looping reactions combined with calcium looping. This process uses Fe3O4 and CaO, two low cost and environmentally friendly materials, while CH4 + CO2 serve as feed. During the reduction of Fe3O4 by CH4, both formation of carbon and metallic iron occur. CO2 acts as mediation gas to facilitate the metal/metal oxide redox reaction and carbon gasification into CO. CaO, on the other hand, is used for storage of CO2. Upon temperature rise, CaCO3 releases CO2, which re-oxidizes the carbon deposits and reduced Fe, thus producing carbon monoxide. The amount of produced CO is higher than the theoretical amount for Fe3O4, because carbon deposits from CH4 equally contribute to the CO yield. After each redox cycle, the material is regenerated, so that it can be used repeatedly, providing a stable process.

  12. Templated assembly of photoswitches significantly increases the energy-storage capacity of solar thermal fuels

    Energy Technology Data Exchange (ETDEWEB)

    Kucharski, TJ; Ferralis, N; Kolpak, AM; Zheng, JO; Nocera, DG; Grossman, JC

    2014-04-13

    Large-scale utilization of solar-energy resources will require considerable advances in energy-storage technologies to meet ever-increasing global energy demands. Other than liquid fuels, existing energy-storage materials do not provide the requisite combination of high energy density, high stability, easy handling, transportability and low cost. New hybrid solar thermal fuels, composed of photoswitchable molecules on rigid, low-mass nanostructures, transcend the physical limitations of molecular solar thermal fuels by introducing local sterically constrained environments in which interactions between chromophores can be tuned. We demonstrate this principle of a hybrid solar thermal fuel using azobenzene-functionalized carbon nanotubes. We show that, on composite bundling, the amount of energy stored per azobenzene more than doubles from 58 to 120 kJ mol(-1), and the material also maintains robust cyclability and stability. Our results demonstrate that solar thermal fuels composed of molecule-nanostructure hybrids can exhibit significantly enhanced energy-storage capabilities through the generation of template-enforced steric strain.

  13. Templated assembly of photoswitches significantly increases the energy-storage capacity of solar thermal fuels

    Science.gov (United States)

    Kucharski, Timothy J.; Ferralis, Nicola; Kolpak, Alexie M.; Zheng, Jennie O.; Nocera, Daniel G.; Grossman, Jeffrey C.

    2014-05-01

    Large-scale utilization of solar-energy resources will require considerable advances in energy-storage technologies to meet ever-increasing global energy demands. Other than liquid fuels, existing energy-storage materials do not provide the requisite combination of high energy density, high stability, easy handling, transportability and low cost. New hybrid solar thermal fuels, composed of photoswitchable molecules on rigid, low-mass nanostructures, transcend the physical limitations of molecular solar thermal fuels by introducing local sterically constrained environments in which interactions between chromophores can be tuned. We demonstrate this principle of a hybrid solar thermal fuel using azobenzene-functionalized carbon nanotubes. We show that, on composite bundling, the amount of energy stored per azobenzene more than doubles from 58 to 120 kJ mol-1, and the material also maintains robust cyclability and stability. Our results demonstrate that solar thermal fuels composed of molecule-nanostructure hybrids can exhibit significantly enhanced energy-storage capabilities through the generation of template-enforced steric strain.

  14. Templated assembly of photoswitches significantly increases the energy-storage capacity of solar thermal fuels.

    Science.gov (United States)

    Kucharski, Timothy J; Ferralis, Nicola; Kolpak, Alexie M; Zheng, Jennie O; Nocera, Daniel G; Grossman, Jeffrey C

    2014-05-01

    Large-scale utilization of solar-energy resources will require considerable advances in energy-storage technologies to meet ever-increasing global energy demands. Other than liquid fuels, existing energy-storage materials do not provide the requisite combination of high energy density, high stability, easy handling, transportability and low cost. New hybrid solar thermal fuels, composed of photoswitchable molecules on rigid, low-mass nanostructures, transcend the physical limitations of molecular solar thermal fuels by introducing local sterically constrained environments in which interactions between chromophores can be tuned. We demonstrate this principle of a hybrid solar thermal fuel using azobenzene-functionalized carbon nanotubes. We show that, on composite bundling, the amount of energy stored per azobenzene more than doubles from 58 to 120 kJ mol(-1), and the material also maintains robust cyclability and stability. Our results demonstrate that solar thermal fuels composed of molecule-nanostructure hybrids can exhibit significantly enhanced energy-storage capabilities through the generation of template-enforced steric strain.

  15. Understanding and tuning nanostructured materials for chemical energy conversion

    Science.gov (United States)

    Jian, Guoqiang

    The conversion of energy that employs chemical reaction is termed chemical energy conversion. In my dissertation, I have focused on chemical energy conversion systems involving energetic materials and lithium ion batteries, where performance is strongly dependent on the properties of materials and their architecture. The objective of this study is to enhance our understanding and tuning of nanostructured materials that might find application toward energetic materials and electrode materials in lithium ion batteries. Rapid heating diagnostics tools, i.e. temperature-jump techniques, have been used to study the ignition of aluminum nanoparticles, nanothermite reaction mechanism and metal oxides nanoparticles decomposition under rapid heating conditions (˜105-106 K/s). Time-resolved mass spectra results support the hypothesis that Al containing species diffuse outwards through the oxide shell. Low effective activation energies were found for metal oxides nanoparticles decomposition at high heating rates, implying the mass transfer control at high heating rates. The role of oxygen release from oxidizer in nanothermite reactions have been examined for several different systems, including some using microsized oxidizer (i.e., nano-Al/micro-I 2O5). In particular, for periodate based nanothermites, direct evidence from high heating rate SEM and mass spectrometry results support that direct gas phase oxygen release from oxidizer decomposition is critical in its ignition and combustion. Efforts have also been made to synthesize nanostructured materials for nanoenergetic materials and lithium ion batteries applications. Hollow CuO spheres were synthesized by aerosol spray pyrolysis, employing a gas blowing mechanism for the formation of hollow structure during aerosol synthesis. The materials synthesized as oxidizers in nanothermite demonstrated superior performance, and of particular note, periodate salts based nanothermite demonstrated the best gas generating performance

  16. Flooded Underground Coal Mines: A Significant Source of Inexpensive Geothermal Energy

    Energy Technology Data Exchange (ETDEWEB)

    Watzlaf, G.R.; Ackman, T.E.

    2007-04-01

    Many mining regions in the United States contain extensive areas of flooded underground mines. The water within these mines represents a significant and widespread opportunity for extracting low-grade, geothermal energy. Based on current energy prices, geothermal heat pump systems using mine water could reduce the annual costs for heating to over 70 percent compared to conventional heating methods (natural gas or heating oil). These same systems could reduce annual cooling costs by up to 50 percent over standard air conditioning in many areas of the country. (Formatted full-text version is released by permission of publisher)

  17. Wind energy as a significant source of electricity for the United States

    Energy Technology Data Exchange (ETDEWEB)

    Nix, R.G.

    1996-06-01

    This paper discusses wind energy and its potential to significantly impact the generation of electricity within the US. The principles and the equipment used to convert wind energy to electricity are described, as is the status of current technology. Markets and production projections are given. There is discussion of the advances required to reduce the selling cost of electricity generated from the wind from today`s price of about $0.05 per kilowatt-hour to full cost-competitiveness with gas- and coal-based electricity.

  18. Chemical energy in an introductory physics course for the life sciences

    OpenAIRE

    Dreyfus, Benjamin W.; Gouvea, Julia; Geller, Benjamin D.; Sawtelle, Vashti; Turpen, Chandra; Redish, Edward F.

    2013-01-01

    Energy is a complex idea that cuts across scientific disciplines. For life science students, an approach to energy that incorporates chemical bonds and chemical reactions is better equipped to meet the needs of life sciences students than a traditional introductory physics approach that focuses primarily on mechanical energy. We present a curricular sequence, or thread, designed to build up students' understanding of chemical energy in an introductory physics course for the life sciences. Thi...

  19. The perceptual significance of high-frequency energy in the human voice

    Directory of Open Access Journals (Sweden)

    Brian B. Monson

    2014-06-01

    Full Text Available While human vocalizations generate acoustical energy at frequencies up to (and beyond 20 kHz, the energy at frequencies above about 5 kHz has traditionally been neglected in speech perception research. The intent of this paper is to review (1 the historical reasons for this research trend and (2 the work that continues to elucidate the perceptual significance of high-frequency energy (HFE in speech and singing. The historical and physical factors reveal that, while HFE was believed to be unnecessary and/or impractical for applications of interest, it was never shown to be perceptually insignificant. Rather, the main causes for focus on low-frequency energy appear to be because the low-frequency portion of the speech spectrum was seen to be sufficient (from a perceptual standpoint, or the difficulty of HFE research was too great to be justifiable (from a technological standpoint. The advancement of technology continues to overcome concerns stemming from the latter reason. Likewise, advances in our understanding of the perceptual effects of HFE now cast doubt on the first cause. Emerging evidence indicates that HFE plays a more significant role than previously believed, and should thus be considered in speech and voice perception research, especially in research involving children and the hearing impaired.

  20. The perceptual significance of high-frequency energy in the human voice

    Science.gov (United States)

    Monson, Brian B.; Hunter, Eric J.; Lotto, Andrew J.; Story, Brad H.

    2014-01-01

    While human vocalizations generate acoustical energy at frequencies up to (and beyond) 20 kHz, the energy at frequencies above about 5 kHz has traditionally been neglected in speech perception research. The intent of this paper is to review (1) the historical reasons for this research trend and (2) the work that continues to elucidate the perceptual significance of high-frequency energy (HFE) in speech and singing. The historical and physical factors reveal that, while HFE was believed to be unnecessary and/or impractical for applications of interest, it was never shown to be perceptually insignificant. Rather, the main causes for focus on low-frequency energy appear to be because the low-frequency portion of the speech spectrum was seen to be sufficient (from a perceptual standpoint), or the difficulty of HFE research was too great to be justifiable (from a technological standpoint). The advancement of technology continues to overcome concerns stemming from the latter reason. Likewise, advances in our understanding of the perceptual effects of HFE now cast doubt on the first cause. Emerging evidence indicates that HFE plays a more significant role than previously believed, and should thus be considered in speech and voice perception research, especially in research involving children and the hearing impaired. PMID:24982643

  1. The perceptual significance of high-frequency energy in the human voice.

    Science.gov (United States)

    Monson, Brian B; Hunter, Eric J; Lotto, Andrew J; Story, Brad H

    2014-01-01

    While human vocalizations generate acoustical energy at frequencies up to (and beyond) 20 kHz, the energy at frequencies above about 5 kHz has traditionally been neglected in speech perception research. The intent of this paper is to review (1) the historical reasons for this research trend and (2) the work that continues to elucidate the perceptual significance of high-frequency energy (HFE) in speech and singing. The historical and physical factors reveal that, while HFE was believed to be unnecessary and/or impractical for applications of interest, it was never shown to be perceptually insignificant. Rather, the main causes for focus on low-frequency energy appear to be because the low-frequency portion of the speech spectrum was seen to be sufficient (from a perceptual standpoint), or the difficulty of HFE research was too great to be justifiable (from a technological standpoint). The advancement of technology continues to overcome concerns stemming from the latter reason. Likewise, advances in our understanding of the perceptual effects of HFE now cast doubt on the first cause. Emerging evidence indicates that HFE plays a more significant role than previously believed, and should thus be considered in speech and voice perception research, especially in research involving children and the hearing impaired. PMID:24982643

  2. LongTerm Energy Efficiency Analysis Requires Solid Energy Statistics: The case of the German Basic Chemical Industry

    NARCIS (Netherlands)

    Saygin, D.; Worrell, E.; Tam, C.; Trudeau, N.; Gielen, D.J.; Weiss, M.; Patel, M.K.

    2012-01-01

    Analyzing the chemical industry’s energy use is challenging because of the sector’s complexity and the prevailing uncertainty in energy use and production data. We develop an advanced bottom-up model (PIE-Plus) which encompasses the energy use of the 139 most important chemical processes. We apply t

  3. Long-term energy efficiency analysis requires solid energy statistics. The case of the German basic chemical industry

    Energy Technology Data Exchange (ETDEWEB)

    Saygin, D.; Worrell, E.; Weiss, M.; Patela, M.K. [Utrecht University, Copernicus Institute of Sustainable Development, Faculty of Geosciences, Heidelberglaan 2, 3584 CS Utrecht (Netherlands); Tam, C.; Trudeau, N. [International Energy Agency IEA, 9 rue de la Federation, 75739 Paris Cedex 15 (France); Gielen, D.J. [International Renewable Energy Agency IRENA, IITC, Robert-Schuman-Platz 3, 53175 Bonn (Germany)

    2012-08-15

    Analyzing the chemical industry's energy use is challenging because of the sector's complexity and the prevailing uncertainty in energy use and production data. We develop an advanced bottom-up model (PIE-Plus) which encompasses the energy use of the 139 most important chemical processes. We apply this model in a case study to analyze the German basic chemical industry's energy use and energy efficiency improvements in the period between 1995 and 2008. We compare our results with data from the German Energy Balances and with data published by the International Energy Agency (IEA). We find that our model covers 88% of the basic chemical industry's total final energy use (including non-energy use) as reported in the German Energy Balances. The observed energy efficiency improvements range between 2.2 and 3.5% per year, i.e., they are on the higher side of the values typically reported in literature. Our results point to uncertainties in the basic chemical industry's final energy use as reported in the energy statistics and the specific energy consumption values. More efforts are required to improve the quality of the national and international energy statistics to make them usable for reliable monitoring of energy efficiency improvements of the chemical industry.

  4. Analysis and modelling of the energy consumption of chemical batch plants

    Energy Technology Data Exchange (ETDEWEB)

    Bieler, P.S.

    2004-07-01

    This report for the Swiss Federal Office of Energy (SFOE) describes two different approaches for the energy analysis and modelling of chemical batch plants. A top-down model consisting of a linear equation based on the specific energy consumption per ton of production output and the base consumption of the plant is postulated. The model is shown to be applicable to single and multi-product batches for batch plants with constant production mix and multi-purpose batch plants in which only similar chemicals are produced. For multipurpose batch plants with highly varying production processes and changing production mix, the top-down model produced inaccurate results. A bottom-up model is postulated for such plants. The results obtained are discussed that show that the electricity consumption for infrastructure equipment was significant and responsible for about 50% of total electricity consumption. The specific energy consumption for the different buildings was related to the degree of automation and the production processes. Analyses of the results of modelling are presented. More detailed analyses of the energy consumption of this apparatus group show that about 30 to 40% of steam energy is lost and thus a large potential for optimisation exists. Various potentials for making savings, ranging from elimination of reflux conditions to the development of a new heating/cooling-system for a generic batch reactor, are identified.

  5. Accelerator driven reactors, - the significance of the energy distribution of spallation neutrons on the neutron statistics

    International Nuclear Information System (INIS)

    distribution of the spallation neutrons leads to second moments that differ significantly from the ones calculated with the average energy distribution only. With the most realistic model of the energy distributions, the second moment of the number of fissions was underestimated with 12-16%

  6. Quarterly progress report for the Chemical and Energy Research Section of the Chemical Technology Division, April--June 1997

    Energy Technology Data Exchange (ETDEWEB)

    Jubin, R.T.

    1998-06-01

    The Chemical and Energy Research Section conducts basic and applied research and development in chemical engineering, applied chemistry, and bioprocessing, with an emphasis on energy-driven technologies and advanced chemical separations for nuclear and waste applications. The report describes the various tasks performed within six major areas of research: Hot Cell Operations, Process Chemistry and thermodynamics, Separations and Materials Synthesis, Solution Thermodynamics, biotechnology Research, and Molecular Studies. The name of a technical contact is included with each task described, and readers are encouraged to contact these individuals if they need additional information.

  7. The origin of the chemical profiles of fungal symbionts and their significance for nestmate recognition in Acromyrmex leaf-cutting ants

    DEFF Research Database (Denmark)

    Richard, Freddie-Jeanne; Poulsen, Michael; Hefetz, Abraham;

    2007-01-01

    with less aggression when they are later introduced into that colony. It appears, therefore, that fungus gardens are an independent and significant source of chemical compounds, potentially contributing a richer and more abundant blend of recognition cues to the colony ¿gestalt¿ than the innate chemical...

  8. Research, climate, energy : Questions of destiny for the chemical industry

    Energy Technology Data Exchange (ETDEWEB)

    Kastinen, A., email: aimo.kastinen@chemind.fi

    2010-07-01

    Registration for the first phase of Reach finishes at the end of November. Then we will see whether the standard of legislation has been set correctly in respect of the EU's operational ability. If it isn't, significant problems will result for the community's treatment of materials and the EU's competitiveness, and Reach's value as a global model will become questionable. Also, the CLP regulation concerning classification, labelling and packaging of chemicals will start to come into effect as from the beginning of December. In the first phase, the question is one of classification of substances, and gradually the requirements will be applied to mixtures too. At the same time, Safety Data Sheets shall be renewed in accordance with their own transition period. The current product legislation concerning chemicals shall be fully revised by the mid-point of the decade, but before then company safety officers will have to do lots of work to change the previous routines

  9. The Functional Significance of Posttranslational Modifications on Polo-Like Kinase 1 Revealed by Chemical Genetic Complementation.

    Science.gov (United States)

    Lasek, Amber L; McPherson, Brittany M; Trueman, Natalie G; Burkard, Mark E

    2016-01-01

    Mitosis is coordinated by carefully controlled phosphorylation and ubiquitin-mediated proteolysis. Polo-like kinase 1 (Plk1) plays a central role in regulating mitosis and cytokinesis by phosphorylating target proteins. Yet, Plk1 is itself a target for posttranslational modification by phosphorylation and ubiquitination. We developed a chemical-genetic complementation assay to evaluate the functional significance of 34 posttranslational modifications (PTMs) on human Plk1. To do this, we used human cells that solely express a modified analog-sensitive Plk1 (Plk1AS) and complemented with wildtype Plk1. The wildtype Plk1 provides cells with a functional Plk1 allele in the presence of 3-MB-PP1, a bulky ATP-analog inhibitor that specifically inhibits Plk1AS. Using this approach, we evaluated the ability of 34 singly non-modifiable Plk1 mutants to complement Plk1AS in the presence of 3-MB-PP1. Mutation of the T-loop activating residue T210 and adjacent T214 are lethal, but surprisingly individual mutation of the remaining 32 posttranslational modification sites did not disrupt the essential functions of Plk1. To evaluate redundancy, we simultaneously mutated all phosphorylation sites in the kinase domain except for T210 and T214 or all sites in the C-terminal polo-box domain (PBD). We discovered that redundant phosphorylation events within the kinase domain are required for accurate chromosome segregation in anaphase but those in the PBD are dispensable. We conclude that PTMs within the T-loop of Plk1 are essential and nonredundant, additional modifications in the kinase domain provide redundant control of Plk1 function, and those in the PBD are dispensable for essential mitotic functions of Plk1. This comprehensive evaluation of Plk1 modifications demonstrates that although phosphorylation and ubiquitination are important for mitotic progression, many individual PTMs detected in human tissue may have redundant, subtle, or dispensable roles in gene function. PMID

  10. Long-term energy efficiency analysis requires solid energy statistics: The case of the German basic chemical industry

    International Nuclear Information System (INIS)

    Analyzing the chemical industry’s energy use is challenging because of the sector’s complexity and the prevailing uncertainty in energy use and production data. We develop an advanced bottom-up model (PIE-Plus) which encompasses the energy use of the 139 most important chemical processes. We apply this model in a case study to analyze the German basic chemical industry’s energy use and energy efficiency improvements in the period between 1995 and 2008. We compare our results with data from the German Energy Balances and with data published by the International Energy Agency (IEA). We find that our model covers 88% of the basic chemical industry’s total final energy use (including non-energy use) as reported in the German Energy Balances. The observed energy efficiency improvements range between 2.2 and 3.5% per year, i.e., they are on the higher side of the values typically reported in literature. Our results point to uncertainties in the basic chemical industry’s final energy use as reported in the energy statistics and the specific energy consumption values. More efforts are required to improve the quality of the national and international energy statistics to make them useable for reliable monitoring of energy efficiency improvements of the chemical industry. -- Highlights: ► An advanced model was developed to estimate German chemical industry’s energy use. ► For the base year (2000), model covers 88% of the sector’s total final energy use. ► Sector’s energy efficiency improved between 2.2 and 3.5%/yr between 1995 and 2008. ► Improved energy statistics are required for accurate monitoring of improvements.

  11. Technology Roadmap: Energy and GHG reductions in the chemical industry via catalytic processes

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2013-06-01

    The chemical industry is a large energy user; but chemical products and technologies also are used in a wide array of energy saving and/or renewable energy applications so the industry has also an energy saving role. The chemical and petrochemical sector is by far the largest industrial energy user, accounting for roughly 10% of total worldwide final energy demand and 7% of global GHG emissions. The International Council of Chemical Associations (ICCA) has partnered with the IEA and DECHEMA (Society for Chemical Engineering and Biotechnology) to describe the path toward further improvements in energy efficiency and GHG reductions in the chemical sector. The roadmap looks at measures needed from the chemical industry, policymakers, investors and academia to press on with catalysis technology and unleash its potential around the globe. The report uncovers findings and best practice opportunities that illustrate how continuous improvements and breakthrough technology options can cut energy use and bring down greenhouse gas (GHG) emission rates. Around 90% of chemical processes involve the use of catalysts – such as added substances that increase the rate of reaction without being consumed by it – and related processes to enhance production efficiency and reduce energy use, thereby curtailing GHG emission levels. This work shows an energy savings potential approaching 13 exajoules (EJ) by 2050 – equivalent to the current annual primary energy use of Germany.

  12. Effects of chemical fuel composition on energy generation from thermopower waves

    International Nuclear Information System (INIS)

    Thermopower waves, which occur during combustion within hybrid structures formed from nanomaterials and chemical fuels, result in a self-propagating thermal reaction and concomitantly generate electrical energy from the acceleration of charge carriers along the nanostructures. The hybrid structures for thermopower waves are composed of two primary components: the core thermoelectric material and the combustible fuel. So far, most studies have focused on investigating various nanomaterials for improving energy generation. Herein, we report that the composition of the chemical fuel used has a significant effect on the power generated by thermopower waves. Hybrid nanostructures consisting of mixtures of picric acid and picramide with sodium azide were synthesized and used to generate thermopower waves. A maximum voltage of ∼2 V and an average peak specific power as high as 15 kW kg−1 were obtained using the picric acid/sodium azide/multiwalled carbon nanotubes (MWCNTs) array composite. The average reaction velocity and the output voltage in the case of the picric acid/sodium azide were 25 cm s−1 and 157 mV, while they were 2 cm s−1 and 3 mV, in the case of the picramide/sodium azide. These marked differences are attributable to the chemical and structural differences of the mixtures. Mixing picric acid and sodium azide in deionized water resulted in the formation of 2,4,6-trinitro sodium phenoxide and hydrogen azide (H-N3), owing to the exchange of H+ and Na+ ions, as well as the formation of fiber-like structures, because of benzene π stacking. The negative enthalpy of formation of the new compounds and the fiber-like structures accelerate the reaction and increase the output voltage. Elucidating the effects of the composition of the chemical fuel used in the hybrid nanostructures will allow for the control of the combustion process and help optimize the energy generated from thermopower waves, furthering the development of thermopower waves as an energy

  13. CONSTRAINTS ON THE SOURCE OF ULTRA-HIGH-ENERGY COSMIC RAYS USING ANISOTROPY VERSUS CHEMICAL COMPOSITION

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Ruo-Yu; Wang, Xiang-Yu [School of Astronomy and Space Science, Nanjing University, Nanjing 210093 (China); Taylor, Andrew M. [Dublin Institute for Advanced Studies, 31 Fitzwilliam Place, Dublin 2 (Ireland); Lemoine, Martin [Institut d' Astrophysique de Paris, CNRS, UPMC, 98 bis Boulevard Arago, F-75014 Paris (France); Waxman, Eli, E-mail: lemoine@iap.fr [Physics Faculty, Weizmann Institute, P.O. Box 26, Rehovot 7600 (Israel)

    2013-10-20

    The joint analysis of anisotropy signals and chemical composition of ultra-high-energy cosmic rays offers strong potential for shedding light on the sources of these particles. Following up on an earlier idea, this paper studies the anisotropies produced by protons of energy >E/Z, assuming that anisotropies at energy >E have been produced by nuclei of charge Z, which share the same magnetic rigidity. We calculate the number of secondary protons produced through photodisintegration of the primary heavy nuclei. Making the extreme assumption that the source does not inject any proton, we find that the source(s) responsible for anisotropies such as reported by the Pierre Auger Observatory should lie closer than ∼20-30, 80-100, and 180-200 Mpc if the anisotropy signal is mainly composed of oxygen, silicon, and iron nuclei, respectively. A violation of this constraint would otherwise result in the secondary protons forming a more significant anisotropy signal at lower energies. Even if the source were located closer than this distance, it would require an extraordinary metallicity ∼> 120, 1600, and 1100 times solar metallicity in the acceleration zone of the source, for oxygen, silicon, and iron, respectively, to ensure that the concomitantly injected protons do not produce a more significant low-energy anisotropy. This offers interesting prospects for constraining the nature and the source of ultra-high-energy cosmic rays with the increase in statistics expected from next-generation detectors.

  14. Scaling of surface-plasma reactors with a significantly increased energy density for NO conversion.

    Science.gov (United States)

    Malik, Muhammad Arif; Xiao, Shu; Schoenbach, Karl H

    2012-03-30

    Comparative studies revealed that surface plasmas developing along a solid-gas interface are significantly more effective and energy efficient for remediation of toxic pollutants in air than conventional plasmas propagating in air. Scaling of the surface plasma reactors to large volumes by operating them in parallel suffers from a serious problem of adverse effects of the space charges generated at the dielectric surfaces of the neighboring discharge chambers. This study revealed that a conductive foil on the cathode potential placed between the dielectric plates as a shield not only decoupled the discharges, but also increased the electrical power deposited in the reactor by a factor of about forty over the electrical power level obtained without shielding and without loss of efficiency for NO removal. The shield had no negative effect on efficiency, which is verified by the fact that the energy costs for 50% NO removal were about 60 eV/molecule and the energy constant, k(E), was about 0.02 L/J in both the shielded and unshielded cases.

  15. Scaling of surface-plasma reactors with a significantly increased energy density for NO conversion

    International Nuclear Information System (INIS)

    Highlights: ► An electrical shield is found to decouple surface-plasmas in neighboring chambers. ► The shield increases the power density in the plasma. ► The shield allows operating chambers in parallel without loss of efficiency. ► Removal of nitric oxide from air is demonstrated. - Abstract: Comparative studies revealed that surface plasmas developing along a solid–gas interface are significantly more effective and energy efficient for remediation of toxic pollutants in air than conventional plasmas propagating in air. Scaling of the surface plasma reactors to large volumes by operating them in parallel suffers from a serious problem of adverse effects of the space charges generated at the dielectric surfaces of the neighboring discharge chambers. This study revealed that a conductive foil on the cathode potential placed between the dielectric plates as a shield not only decoupled the discharges, but also increased the electrical power deposited in the reactor by a factor of about forty over the electrical power level obtained without shielding and without loss of efficiency for NO removal. The shield had no negative effect on efficiency, which is verified by the fact that the energy costs for 50% NO removal were about 60 eV/molecule and the energy constant, kE, was about 0.02 L/J in both the shielded and unshielded cases.

  16. Single-collision studies of energy transfer and chemical reaction

    Energy Technology Data Exchange (ETDEWEB)

    Valentini, J.J. [Columbia Univ., New York, NY (United States)

    1993-12-01

    The research focus in this group is state-to-state dynamics of reaction and energy transfer in collisions of free radicals such as H, OH, and CH{sub 3} with H{sub 2}, alkanes, alcohols and other hydrogen-containing molecules. The motivation for the work is the desire to provide a detailed understanding of the chemical dynamics of prototype reactions that are important in the production and utilization of energy sources, most importantly in combustion. The work is primarily experimental, but with an important and growing theoretical/computational component. The focus of this research program is now on reactions in which at least one of the reactants and one of the products is polyatomic. The objective is to determine how the high dimensionality of the reactants and products differentiates such reactions from atom + diatom reactions of the same kinematics and energetics. The experiments use highly time-resolved laser spectroscopic methods to prepare reactant states and analyze the states of the products on a single-collision time scale. The primary spectroscopic tool for product state analysis is coherent anti-Stokes Raman scattering (CARS) spectroscopy. CARS is used because of its generality and because the extraction of quantum state populations from CARS spectra is straightforward. The combination of the generality and easy analysis of CARS makes possible absolute cross section measurements (both state-to-state and total), a particularly valuable capability for characterizing reactive and inelastic collisions. Reactant free radicals are produced by laser photolysis of appropriate precursors. For reactant vibrational excitation stimulated Raman techniques are being developed and implemented.

  17. A graph of dark energy significance on different spatial and mass scales

    CERN Document Server

    Teerikorpi, P; Nurmi, P; Chernin, A D; Einasto, M; Valtonen, M; Byrd, G

    2015-01-01

    The current cosmological paradigm sees the formation and evolution of the cosmic large-scale structure as governed by the gravitational attraction of the Dark Matter (DM) and the repulsion of the Dark Energy (DE). We characterize the relative importance of uniform and constant dark energy, as given by the Lambda term in the standard LCDM cosmology, in galaxy systems of different scales, from groups to superclusters. An instructive "Lambda significance graph" is introduced where the matter-DE density ratio /rho_Lambda for different galaxy systems is plotted against the radius R. This presents gravitation and DE dominated regions and shows directly the zero velocity radius, the zero-gravity radius, and the Einstein-Straus radius for any fixed value of mass. Example galaxy groups and clusters from the local universe illustrate the use of the Lambda significance graph. These are generally located deep in the gravity-dominated region /rho_Lambda > 2, being virialized. Extended clusters and main bodies of superclus...

  18. Quarterly progress report for the Chemical and Energy Research Section of the Chemical Technology Division: July--September 1997

    Energy Technology Data Exchange (ETDEWEB)

    Jubin, R.T.

    1998-07-01

    This report summarizes the major activities conducted in the Chemical and Energy Research Section of the Chemical Technology Division at Oak Ridge National Laboratory (ORNL) during the period July--September 1997. The section conducts basic and applied research and development in chemical engineering, applied chemistry, and bioprocessing, with an emphasis on energy-driven technologies and advanced chemical separations for nuclear and waste applications. The report describes the various tasks performed within nine major areas of research: Hot Cell Operations, Process Chemistry and Thermodynamics, Molten Salt Reactor Experiment (MSRE) Remediation Studies, Chemistry Research, Biotechnology, Separations and Materials Synthesis, Fluid Structure and Properties, Biotechnology Research, and Molecular Studies. The name of a technical contact is included with each task described, and readers are encouraged to contact these individuals if they need additional information.

  19. Agrice 1994-2000 - Activity report. Agriculture for chemicals and energy

    International Nuclear Information System (INIS)

    The emergence of new energy, chemicals and materials markets for agricultural products calls for an ongoing commitment to significant and stable funding for research. Even more importantly, these new markets also necessitate better coordination between the actors across the field, ranging from multidisciplinary research teams and agro-industrial companies to users in the petrochemicals, chemicals and materials sectors, and agricultural production. The need for this coordination is even greater today, in light of the key role that 'non-food' supply chains play in environmental protection: efforts to mitigate the greenhouse effect, reduction of VOC emissions, product safety and biodegradability, rational farming practices, etc. With these ends in mind the scientific interest group AGRICE- Agriculture for Chemicals and Energy- was created in France in 1994 by government bodies and eight partners. Today AGRICE includes the following members: the Institut Francais du Petrole (IFP), the Institut National de Recherche Agronomique (INRA), the Centre National de Recherche Scientifique (CNRS) and the Agence de l'Environnement et de la Maitrise de l'Energie (ADEME), professional organisations in oilseeds (ONIDOL), grains (AGPB) and beets (CGB), AVENTIS, TOTAL FINA ELF, LIMAGRAIN and EDF, the French ministries of Agriculture, Industry, Research, and Environment. AGRICE was founded for a six-year renewable term, and its management entrusted to ADEME. The group has worked to develop significant collaborative efforts across Europe, notably through the European Renewable Resources and Materials Association (ERRMA). AGRICE is due to be renewed with a broader base of partners in 2001. This report presents: 1 - the AGRICE profile, scope of activity (Biofuels vehicles (Ester/Oils, Ethanol/Ether) and non-vehicles (Energy crops, Processes), Biomolecules (Lubricants, Surfactants, Solvents, Other biomolecules), Biomaterials (Biopolymers, Agro-materials)), Financial report 1994

  20. The bioliq {sup registered} bioslurry gasification process for the production of biosynfuels, organic chemicals, and energy

    Energy Technology Data Exchange (ETDEWEB)

    Dahmen, Nicolaus; Henrich, Edmund; Dinjus, Eckhard; Weirich, Friedhelm [Karlsruhe Institute of Technology (KIT), Eggenstein-Leopoldshafen (Germany). Inst. of Catalysis Research and Technology

    2012-12-15

    Biofuels may play a significant role in regard to carbon emission reduction in the transportation sector. Therefore, a thermochemical process for biomass conversion into synthetic chemicals and fuels is being developed at the Karlsruhe Institute of Technology (KIT) by producing process energy to achieve a desirable high carbon dioxide reduction potential. In the bioliq process, lignocellulosic biomass is first liquefied by fast pyrolysis in distributed regional plants to produce an energy-dense intermediate suitable for economic transport over long distances. Slurries of pyrolysis condensates and char, also referred to as biosyncrude, are transported to a large central gasification and synthesis plant. The bioslurry is preheated and pumped into a pressurized entrained flow gasifier, atomized with technical oxygen, and converted at > 1,200 C to an almost tar-free, low-methane syngas. Syngas - a mixture of CO and H2 - is a well-known versatile intermediate for the selectively catalyzed production of various base chemicals or synthetic fuels. At KIT, a pilot plant has been constructed together with industrial partners to demonstrate the process chain in representative scale. The process data obtained will allow for process scale-up and reliable cost estimates. In addition, practical experience is gained. The paper describes the background, principal technical concepts, and actual development status of the bioliq process. It is considered to have the potential for worldwide application in large scale since any kind of dry biomass can be used as feedstock. Thus, a significant contribution to a sustainable future energy supply could be achieved.

  1. Significant release of shear energy of the North Korean nuclear test on February 12, 2013

    Science.gov (United States)

    Barth, Andreas

    2014-07-01

    On February 12, 2013 the Democratic People's Republic of Korea (DPRK) carried out an announced nuclear test, which was the third after tests conducted in 2006 and 2009. An important task in discriminating a man-made explosion and a natural tectonic earthquake is the analysis of seismic waveforms. To determine the isotropic and non-isotropic characteristics of the detonation source, I invert long-period seismic data for the full seismic moment tensor to match the observed seismic signals by synthetic waveforms based on a 3D Earth model. Here, I show that the inversion of long-period seismic data of the 2013 test reveals a clear explosive (isotropic) component combined with a significant release of shear energy by the double-couple part of the moment tensor. While the isotropic part of the nuclear test in 2009 was similar to that in 2013, the double-couple part was lower by a factor of 0.55 compared to the explosion in 2013. Moreover, the ratio of the isotropic seismic moments of the 2013 and 2009 nuclear tests is 1.4 ± 0.1 and lower than published estimations of the yield ratio, which indicates the importance of considering the release of shear energy. The determined orientation of the double-couple fault plane is parallel to the dominating geologic fault structures NNE-SSW to NE-SW, but the calculated normal faulting mechanism does not correspond to the general tectonic strike-slip regime. Thus, explanations for the enhanced release of shear energy might be induced dip-slip motion pre-stressed by the previous test or near source damaging effects due to a changed containment of the nuclear explosion.

  2. Statistical Significance of Small Scale Anisotropy in Arrival Directions of Ultra-High Energy Cosmic Rays

    CERN Document Server

    Yoshiguchi, H; Sato, K; Yoshiguchi, Hiroyuki; Nagataki, Shigehiro; Sato, Katsuhiko

    2004-01-01

    Recently, the High Resolution Fly's Eye (HiRes) experiment claims that there is no small scale anisotropy in the arrival distribution of ultra-high energy cosmic rays (UHECRs) above $E>10^{19}$ eV contrary to the Akeno Giant Air Shower Array (AGASA) observation. In this paper, we discuss the statistical significance of this discrepancy between the two experiments. We calculate arrival distribution of UHECRs above $10^{19}$ eV predicted by the source models constructed using the Optical Redshift Survey galaxy sample. We apply the new method developed by us for calculating arrival distribution in the presence of the galactic magnetic field. The great advantage of this method is that it enables us to calculate UHECR arrival distribution with lower energy ($\\sim 10^{19}$ eV) than previous studies within reasonable time by following only the trajectories of UHECRs actually reaching the earth. It has been realized that the small scale anisotropy observed by the AGASA can be explained with the source number density ...

  3. Optimising energy recovery and use of chemicals, resources and materials in modern waste-to-energy plants.

    Science.gov (United States)

    De Greef, J; Villani, K; Goethals, J; Van Belle, H; Van Caneghem, J; Vandecasteele, C

    2013-11-01

    Due to ongoing developments in the EU waste policy, Waste-to-Energy (WtE) plants are to be optimized beyond current acceptance levels. In this paper, a non-exhaustive overview of advanced technical improvements is presented and illustrated with facts and figures from state-of-the-art combustion plants for municipal solid waste (MSW). Some of the data included originate from regular WtE plant operation - before and after optimisation - as well as from defined plant-scale research. Aspects of energy efficiency and (re-)use of chemicals, resources and materials are discussed and support, in light of best available techniques (BAT), the idea that WtE plant performance still can be improved significantly, without direct need for expensive techniques, tools or re-design. In first instance, diagnostic skills and a thorough understanding of processes and operations allow for reclaiming the silent optimisation potential.

  4. Optimising energy recovery and use of chemicals, resources and materials in modern waste-to-energy plants.

    Science.gov (United States)

    De Greef, J; Villani, K; Goethals, J; Van Belle, H; Van Caneghem, J; Vandecasteele, C

    2013-11-01

    Due to ongoing developments in the EU waste policy, Waste-to-Energy (WtE) plants are to be optimized beyond current acceptance levels. In this paper, a non-exhaustive overview of advanced technical improvements is presented and illustrated with facts and figures from state-of-the-art combustion plants for municipal solid waste (MSW). Some of the data included originate from regular WtE plant operation - before and after optimisation - as well as from defined plant-scale research. Aspects of energy efficiency and (re-)use of chemicals, resources and materials are discussed and support, in light of best available techniques (BAT), the idea that WtE plant performance still can be improved significantly, without direct need for expensive techniques, tools or re-design. In first instance, diagnostic skills and a thorough understanding of processes and operations allow for reclaiming the silent optimisation potential. PMID:23810322

  5. Options for Water, Energy and Chemical Savings for Finitex, Cape Town

    DEFF Research Database (Denmark)

    Schneider, Zsig; Wenzel, Henrik

    An analysis of the options identified for saving of water, energy and chemicals was conducted at Finitex, Cape Town on the 18th October 2002. Cost savings were calculated from an estimation of the reduction in cost of water, energy and chemical usage associated with various interventions. Capital...... period....

  6. Heat storage in forest biomass significantly improves energy balance closure particularly during stable conditions

    Directory of Open Access Journals (Sweden)

    A. Lindroth

    2009-08-01

    Full Text Available Temperature measurements in trunks and branches in a mature ca. 100 years-old mixed pine and spruce forest in central Sweden were used to estimate the heat storage in the tree biomass. The estimated heat flux in the sample trees and data on biomass distributions were used to scale up to stand level biomass heat fluxes. The rate of change of sensible and latent heat storage in the air layer below the level of the flux measurements was estimated from air temperature and humidity profile measurements and soil heat flux was estimated from heat flux plates and soil temperature measurements. The fluxes of sensible and latent heat from the forest were measured with an eddy covariance system in a tower. The analysis was made for a two-month period in summer of 1995. The tree biomass heat flux was the largest of the estimated storage components and varied between 40 and −35 W m−2 on summer days with nice weather. Averaged over two months the diurnal maximum of total heat storage was 45 W m−2 and the minimum was −35 W m−2. The soil heat flux and the sensible heat storage in air were out of phase with the biomass flux and they reached maximum values that were about 75% of the maximum of the tree biomass heat storage. The energy balance closure improved significantly when the total heat storage was added to the turbulent fluxes. The slope of a regression line with sum of fluxes and storage as independent and net radiation as dependent variable, increased from 0.86 to 0.95 for half-hourly data and the scatter was also reduced. The most significant finding was, however, that during nights with strongly stable conditions when the sensible heat flux dropped to nearly zero, the total storage matched the net radiation nearly perfectly. Another interesting result was that the mean energy imbalance started to increase when the Richardson number became more negative than ca. −0.1. In fact, the largest energy deficit

  7. Potential of best practice technology to improve energy efficiency in the global chemical and petrochemical sector

    NARCIS (Netherlands)

    Saygin, D.; Patel, M.K.; Worrell, E.; Tam, C.; Gielen, D.J.

    2011-01-01

    The chemical and petrochemical sector is by far the largest industrial energy user, accounting for 30% of the industry's total final energy use. However, due to its complexity its energy efficiency potential is not well understood. This article analyses the energy efficiency potential on a country l

  8. Cosmology with dark energy decaying through its chemical-potential contribution

    CERN Document Server

    Besprosvany, J

    2008-01-01

    The consideration of dark energy's quanta, required also by thermodynamics, introduces its chemical potential into the cosmological equations. Isolating its main contribution, we obtain solutions with dark energy decaying to matter or radiation. When dominant, their energy densities tend asymptotically to a constant ratio, explaining today's dark energy-dark matter coincidence, and in agreement with supernova redshift data.

  9. Towards consistent and reliable Dutch and international energy statistics for the chemical industry

    NARCIS (Netherlands)

    Neelis, M.L.; Pouwelse, J.W.

    2008-01-01

    Consistent and reliable energy statistics are of vital importance for proper monitoring of energy-efficiency policies. In recent studies, irregularities have been reported in the Dutch energy statistics for the chemical industry. We studied in depth the company data that form the basis of the energy

  10. Hierarchy of local chemical reactivity indices originated from a local energy

    CERN Document Server

    Gal, Tamas

    2011-01-01

    The traditional way of defining a local measure of chemical hardness has several drawbacks, which undermine the applicability of that local hardness concept. We propose a new approach to this problem, by originating a local chemical potential, a corresponding local hardness, and local hyperhardnesses, from a local energy concept. A chemical potential kernel is also defined, by which a recently proposed alternative local chemical potential and local hardness concept can also be incorporated into this scheme of local reactivity indices.

  11. 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.

  12. Energy liberation and chemical change in frog skeletal muscle during single isometric tetanic contractions

    Science.gov (United States)

    1975-01-01

    Recent data obtained from Rana temporaria sartorius muscles during an isometric tetanus indicate that the time-course of phosphocreatine (PC) splitting cannot account for the total energy (heat + work) liberation (Gilbert et al. 1971. J. Physiol. (Lond.) 218:)63). As this conclusion is important to an understanding of the chemical energetics of contraction, similar experments were performed on unpoisoned, oxygenated Rana pipiens sartorius muscles. The muscles were tetanized (isometrically) at 0 degrees C for 0.6, 1, or 5 s; metabolism was rapidly arrested by freezing the muscles with a specially designed hammer apparatus, and the frozen muscles were chemically analyzed. Comparable myothermal measurments were made on frogs from the same batch. Results of these experiments indicate: (a) The energy liberation parallels the PC and ATP breakdown with a proportionality constant of 10.7 kcal/mol; (b) comparably designed experiments with sartorius muscles of R. temporaria revealed that the ratio of energy liberation to PC splitting was significantly greater than that observed in R. pipiens sartorius muscles; (c) there is no systematic difference between experiments in which metabolism was arrested by the hammer apparatus and others using a conventional immersion technique. PMID:1078574

  13. Dietary Mannoheptulose Does Not Significantly Alter Daily Energy Expenditure in Adult Labrador Retrievers.

    Directory of Open Access Journals (Sweden)

    Leslie L McKnight

    Full Text Available Mannoheptulose (MH, a sugar found in avocados that inhibits glycolysis in vitro, has been preliminarily investigated as a novel food ingredient for dogs. This study aimed to determine the effects of dietary MH, delivered as an extract of un-ripened avocado, on energy expenditure (EE in healthy adult Labrador Retriever dogs (total of 12 dogs, 26.99 ± 0.634 kg, 4.9 ± 0.2 y. The study was a double-blind, cross-over with each dog receiving both dietary treatments, control (CON and MH (400 mg/kg of diet; 6 mg/kg BW, in random order. Resting and post-prandial (10 h EE and respiratory quotient (RQ were determined by indirect calorimetry (d 42. The following day, body composition was assessed using dual X-ray absorptiometry. Continuous activity monitoring was conducted using an Atical® accelerometer (d 43-47. A vastus lateralis muscle biopsy was obtained prior to the morning meal (d 49 and 4 h after consumption of their meal (d 56 to determine the protein content and phosphorylation of 5' adenosine monophosphate-activated protein kinase (AMPK. Diet did not affect body weight, resting EE or skeletal muscle AMPK phosphorylation. Dogs fed MH had significantly lower post-prandial RQ (p = 0.02 and ratio of fat to lean body mass (p = 0.02. Physical activity during light time periods (but not dark was lower in dogs fed MH (p < 0.05 during weekends, but not on weekdays. These results suggest that MH affects energy balance of adult dogs, but that these effects are not dose dependent and not due to physical activity.

  14. Increasing significance of advanced physical/chemical processes in the development and application of sustainable wastewater treatment systems

    NARCIS (Netherlands)

    Rulkens, W.H.

    2008-01-01

    The awareness of the problem of the scarcity of water of high quality has strongly changed the approach of wastewater treatment. Currently, there is an increasing need for the beneficial reuse of treated wastewater and to recover valuable products and energy from the wastewater. Because microbiologi

  15. Finding of no significant impact for the State Energy Conservation Program

    International Nuclear Information System (INIS)

    The Department of Energy (DOE) has prepared a Programmatic Environmental Assessment (PEA), DOE/EA 1068, to assess the environmental impacts associated with the State Energy Conservation Program (SECP). DOE previously funded SECP projects under the Energy Policy and Conservation Act of 1975 (EPCA). The State Energy Efficiency Programs Improvements Act of 1990 (SEEPIA) and the Energy Policy Act of 1992 (EPACT) amended EPCA to broaden the range of state initiatives qualifying for Federal assistance under the SECP. The PEA presents a general analysis of the potential environmental effects associated with broad types of projects that can be funded under the SECP. It does not analyze specific environmental effects or alternatives associated with individual energy conservation, energy efficiency, and renewable energy projects. Individual actions are to be evaluated in detail on a project-by-project basis to determine whether their impacts fall within the bounding analysis of the impacts analyzed in the SECP PEA

  16. Converting chemical energy into electricity through a functionally cooperating device with diving-surfacing cycles.

    Science.gov (United States)

    Song, Mengmeng; Cheng, Mengjiao; Ju, Guannan; Zhang, Yajun; Shi, Feng

    2014-11-01

    A smart device that can dive or surface in aqueous medium has been developed by combining a pH-responsive surface with acid-responsive magnesium. The diving-surfacing cycles can be used to convert chemical energy into electricity. During the diving-surfacing motion, the smart device cuts magnetic flux lines and produces a current, demonstrating that motional energy can be realized by consuming chemical energy of magnesium, thus producing electricity. PMID:25146589

  17. Modulating the electronic structure of chromophores by chemical substituents for efficient energy transfer: application to fluorone.

    Science.gov (United States)

    Sand, Andrew M; Liu, Claire; Valentine, Andrew J S; Mazziotti, David A

    2014-08-01

    Strong electron correlation within a quasi-spin model of chromophores was recently shown to enhance exciton energy transfer significantly. Here we investigate how the modulation of the electronic structure of the chromophores by chemical substitution can enhance energy-transfer efficiency. Unlike previous work that does not consider the direct effect of the electronic structure on exciton dynamics, we add chemical substituents to the fluorone dimer to study the effect of electron-donating and electron-withdrawing substituents on exciton energy transfer. The exciton dynamics are studied from the solution of a quantum Liouville equation for an open system whose model Hamiltonian is derived from excited-state electronic structure calculations. Both van der Waals energies and coupling energies, arising from the Hellmann-Feynman force generated upon transferring the dimers from infinity to a finite separation, are built into the model Hamiltonian. Though these two effects are implicitly treated in dipole-based models, their explicit and separate treatment as discussed here is critical to forging the correct connection with the electronic structure calculations. We find that the addition of electron-donating substituents to the fluorone system results in an increase in exciton-transfer rates by factors ranging from 1.3-1.9. The computed oscillator strength is consistent with the recent experimental results on a larger heterodimer system containing fluorone. The oscillator strength increases with the addition of electron-donating substituents. Our results indicate that the study of chromophore networks via electronic structure will help in the future design of efficient synthetic light-harvesting systems. PMID:25062094

  18. Physico-chemical investigation of some areas of fundamental significance to biophysics. Annual report, 1978-1979

    International Nuclear Information System (INIS)

    Work in progress includes: analyzing the lowest-energy Rydberg transitions of the alkyl halides; decomposition of a spectroscopic signal S into a system of bands; luminescence of aqueous systems; a study of the effects of small molecules on hydrogen bonding via glass transitions in ethanol; Rydberg/intravalence mixing in the S2 state of azulene; ultraviolet photoelectron spectroscopy of carbonyls; and multi-photon processes

  19. Solar energy combined with chemical reactive systems for the production and storage of sustainable energy. A review of thermodynamic principles

    International Nuclear Information System (INIS)

    Highlights: ► Solar radiation power. ► Chemical reactions for the production and storage of usable energy. ► Thermodynamics of solar power. ► Homogeneous and heterogeneous reactive systems. - Abstract: This review article deals with thermodynamics and thermochemistry of processes combining solar radiation power with chemical reactions for the production and storage of usable energy. Some of the most promising procedures of such processes discussed in the literature have been selected as representative examples and are analyzed on the basis of their thermodynamic principles rather than reporting on technical details and feasibility studies with respect to economic potentials. The examples studied involve pure gaseous as well as heterogeneous reactive systems where the shift of chemical equilibria at different temperatures is used to gain chemical energy. The majority of examples focusses on different multistep chemical processes for water splitting into H2 and O2 which have already been tested on laboratory and semi technical scale.

  20. 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.

  1. Biogas crops grown in energy crop rotations: Linking chemical composition and methane production characteristics.

    Science.gov (United States)

    Herrmann, Christiane; Idler, Christine; Heiermann, Monika

    2016-04-01

    Methane production characteristics and chemical composition of 405 silages from 43 different crop species were examined using uniform laboratory methods, with the aim to characterise a wide range of crop feedstocks from energy crop rotations and to identify main parameters that influence biomass quality for biogas production. Methane formation was analysed from chopped and over 90 days ensiled crop biomass in batch anaerobic digestion tests without further pre-treatment. Lignin content of crop biomass was found to be the most significant explanatory variable for specific methane yields while the methane content and methane production rates were mainly affected by the content of nitrogen-free extracts and neutral detergent fibre, respectively. The accumulation of butyric acid and alcohols during the ensiling process had significant impact on specific methane yields and methane contents of crop silages. It is proposed that products of silage fermentation should be considered when evaluating crop silages for biogas production. PMID:26836846

  2. Significance of anaerobic digestion as a source of clean energy in wastewater treatment plants

    International Nuclear Information System (INIS)

    Highlights: • Between 39% and 79% of WWTP energy requirements could be fulfilled by the biogas produced. • Payback period of a biogas CHP engine is <2 years if energy price is ⩾216 € kJ−1. • 34% of the wastewater energy content is recovered into biogas. • Elemental composition is a good tool to estimate energy content of WWTP streams. - Abstract: Nowadays, energy consumption is one of the major concerns of wastewater treatment plants (WWTPs). Time ago, anaerobic digestion was usually implemented for sewage sludge stabilization but energy recovery optimization has recently gained importance. The energy balance of five WWTPs located in Catalonia revealed that depending on the configuration of the plant and its operation, between 39% and 76% of the total electric energy consumed in the WWTP could be supplied by the biogas produced. In the second part of this work, a carbon, nitrogen and sulphur flux analysis was carried out, together with an energy content evaluation for each stream in the WWTP. Results showed that 37% of the carbon found in the raw wastewater was removed during the active sludge process and 24% was transformed into biogas. The remaining carbon was found in the anaerobic dewatered sludge (22%) and in the treated water (19%). As a result, 34% of the initial energy was recovered in the form of biogas

  3. Geological subsurface will contribute significantly to the implementation of the energy policy towards renewables in Germany

    Science.gov (United States)

    Martens, Sonja; Kühn, Michael

    2015-04-01

    The demands to exploit the geological subsurface are increasing. In addition to the traditional production of raw materials such as natural gas and petroleum, or potable groundwater extraction the underground will most likely also be used to implement the climate and energy policy objectives in the context of the energy transition to renewables. These include the storage of energy from renewable sources (e.g. hydrogen and methane), the use of geothermal energy and possibly the long-term storage of carbon dioxide to reduce the release of greenhouse gases into the atmosphere. The presentation addresses the question which realistic contribution can be expected from the geo-resource subsurface for the energy revolution, the detachment of fossil and nuclear fuels as well as the reduction of CO2 emissions. The study of Henning and Palzer [1] that models the energy balance of the electricity and heat sector including all renewable energy converters, storage components and loads for a future German energy system shows that provision with 100% renewables is economically feasible by 2050. Based on their work, our estimates underline that already in 2015 more than 100% of the required methane storage capacities therein are available and more than 100% of the heat pump demands might be covered by shallow and deep geothermal energy production in the future. In addition we show that a newly developed energy storage system [2-3] could be applied to store 20-60% of the surplus energy from renewables expected for 2050 with integrated gas storage of methane and CO2. [1] Henning H-M, Palzer A (2014) A comprehensive model for the German electricity and heat sector in a future energy system with a dominant contribution from renewable energy technologies -- Part I: Methodology. Renewable and Sustainable Energy Reviews 30, 1003-1018. doi: 10.1016/j.rser.2013.09.012 [2] Kühn M, Nakaten N, Streibel M, Kempka T (2014) CO2 geological storage and utilization for a carbon neutral "power

  4. Chemical and physical characteristics of asbestos from north Pakistan and its significance in the promotion of asbestosis

    International Nuclear Information System (INIS)

    Studies of environmental geology are limited in Pakistan. Asbestos has been mined since early 70s around Peshawar valley but its role on environmental degradation was never regarded a concern until 1983. This study has been carried out to identify the carcinogenicity due to asbestos from the Sakhakot Qila Ultramafic Complex around Peshawar valley on the basis of chemical and physical features of the available asbestos minerals. Electron microprobe data (SiO/sub 2/=51.69% Al/sub 2/O/sub 3/=1.33%, FeO=1.33%, CaO=0.06%, XRD data (d=7.3-8.41, 1=400-100) and petrographic observation classify these asbestos minerals as chrysotile, antigorte and tremolite, indicate these to be carrying sufficient inhalation properties. Enhanced occurrences of allergies of lungs, eyes and skin have already been noted in the surrounding of the local mines and relevant industries in the area. Some of the important recommendations suggested for mitigation of asbestosis and other related ailments in the light of the data obtained are: adoption of ventilation and water spraying procedures in all processes of mining, transportation and industrial use of asbestos; personal protection of labor and skilled worker; restriction on use of asbestos in the manufacturing of talcum powder awareness training and health and safety monitoring of the employees and implementation of the international compensation laws. (author)

  5. Significance of medium energy gamma ray astronomy in the study of cosmic rays

    Science.gov (United States)

    Fichtel, C. E.; Kniffen, D. A.; Thompson, D. J.; Bignami, G. F.; Cheung, C. Y.

    1975-01-01

    Medium energy (about 10 to 30 MeV) gamma ray astronomy provides information on the product of the galactic electron cosmic ray intensity and the galactic matter to which the electrons are dynamically coupled by the magnetic field. Because high energy (greater than 100 MeV) gamma ray astronomy provides analogous information for the nucleonic cosmic rays and the relevant matter, a comparison between high energy and medium energy gamma ray intensities provides a direct ratio of the cosmic ray electrons and nucleons throughout the galaxy. A calculation of gamma ray production by electron bremsstrahlung shows that: bremsstrahlung energy loss is probably not negligible over the lifetime of the electrons in the galaxy; and the approximate bremsstrahlung calculation often used previously overestimates the gamma ray intensity by about a factor of two. As a specific example, expected medium energy gamma ray intensities are calculated for the speral arm model.

  6. Significance of medium-energy gamma-ray astronomy in the study of cosmic rays

    Science.gov (United States)

    Fichtel, C. E.; Kniffen, D. A.; Thompson, D. J.; Bignami, G. F.; Cheung, C. Y.

    1976-01-01

    The paper examines the medium-energy (about 10-30 MeV) galactic gamma-ray radiation from primary and secondary electrons and calculates the expected gamma-ray distribution for the specific model of Bignami et al. (1975) on the assumption that the cosmic rays are correlated with the matter on the scale of galactic arms. The energy spectrum typical of regions near the galactic center indicates a dramatic shift from a predominantly cosmic-ray nucleonic mechanism at higher energies to a cosmic-ray electron mechanism at the lower energies. This provides a most important and direct means of probing the cosmic-ray electrons as a function of galactic position by making gamma-ray observations in the few to 40 MeV energy range. Medium-energy gamma-ray astronomy is shown to be a valuable tool in galactic research.

  7. Effects of chemical fuel composition on energy generation from thermopower waves.

    Science.gov (United States)

    Yeo, Taehan; Hwang, Hayoung; Jeong, Dong-Cheol; Lee, Kang Yeol; Hong, Jongsup; Song, Changsik; Choi, Wonjoon

    2014-11-01

    Thermopower waves, which occur during combustion within hybrid structures formed from nanomaterials and chemical fuels, result in a self-propagating thermal reaction and concomitantly generate electrical energy from the acceleration of charge carriers along the nanostructures. The hybrid structures for thermopower waves are composed of two primary components: the core thermoelectric material and the combustible fuel. So far, most studies have focused on investigating various nanomaterials for improving energy generation. Herein, we report that the composition of the chemical fuel used has a significant effect on the power generated by thermopower waves. Hybrid nanostructures consisting of mixtures of picric acid and picramide with sodium azide were synthesized and used to generate thermopower waves. A maximum voltage of ∼2 V and an average peak specific power as high as 15 kW kg(-1) were obtained using the picric acid/sodium azide/multiwalled carbon nanotubes (MWCNTs) array composite. The average reaction velocity and the output voltage in the case of the picric acid/sodium azide were 25 cm s(-1) and 157 mV, while they were 2 cm s(-1) and 3 mV, in the case of the picramide/sodium azide. These marked differences are attributable to the chemical and structural differences of the mixtures. Mixing picric acid and sodium azide in deionized water resulted in the formation of 2,4,6-trinitro sodium phenoxide and hydrogen azide (H-N3), owing to the exchange of H(+) and Na(+) ions, as well as the formation of fiber-like structures, because of benzene π stacking. The negative enthalpy of formation of the new compounds and the fiber-like structures accelerate the reaction and increase the output voltage. Elucidating the effects of the composition of the chemical fuel used in the hybrid nanostructures will allow for the control of the combustion process and help optimize the energy generated from thermopower waves, furthering the development of thermopower waves as an energy

  8. Powering the planet: Chemical challenges in solar energy utilization

    OpenAIRE

    Lewis, Nathan S.; Nocera, Daniel G.

    2006-01-01

    Global energy consumption is projected to increase, even in the face of substantial declines in energy intensity, at least 2-fold by midcentury relative to the present because of population and economic growth. This demand could be met, in principle, from fossil energy resources, particularly coal. However, the cumulative nature of CO2 emissions in the atmosphere demands that holding atmospheric CO2 levels to even twice their preanthropogenic values by midcentury will require invention, devel...

  9. Potential of Coproduction of Energy, Fuels and Chemicals from Biobased Renewable Resources. Transition Path 3. Co-production of Energy, Fuels and Chemicals

    International Nuclear Information System (INIS)

    This report shows how in 2030, biobased alternatives can potentially cover up to 30% of the Netherlands' domestic energy and chemicals demand, effectively reducing CO2 emissions. Maximizing the economical potential of biobased alternatives seems the most attractive strategy. The method to compare various routes has been highly simplified and the conclusions of this report are only valid within the limitations of the underlying assumptions. Nevertheless, the Working group WISE BIOMAS of the Platform Biobased Raw Materials feels that the conclusions are valuable for Dutch policy makers and others interested in the use of biobased raw materials. In 2030, biobased alternatives are expected to be sufficiently competitive to fossil-based alternatives, even without subsidies. They are expected to play a significant role in an energy mix comprised of other renewables as well as 'clean' fossil energy sources. Presently, however, the Netherlands needs to step up its stimulation of biobased applications, through substantial investments in R and D programmes, demonstration plants, as well as measures to stimulate implementation. The whole package of tax reductions, local government purchases, etc., as well as direct financial support should amount to approximately 500 million euros per year. The simplified study presented here provides input for more realistic macro-economic scenario analysis taking actual and updated cost-availability relations including second generation biofuels and biochemicals, land use, international trade, etc., into account. Initial discussions with for instance the Netherlands Bureau for Economic Policy Analysis (Centraal Plan Bureau or CPB) have taken place, but are not covered in this report. It is urgently suggested to update macro-economic scenarios for securing the best Netherlands' position among the accelerating global development towards biobased resources

  10. Excitation energy distribution between two photosystems in Porphyra yezoensis and its sig-nificance in photosynthesisevolution

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Comparative investigation on energy distribution between twophotosystems were carried out in the sporo- phytes and gametophytes of Porphyra yezoensis. By perfor- ming 77 K fluorescence spectra, we suggested that there probably existed a pathway for energy transfer from PSⅡ to PSⅠ to redistribute the absorbed energy in gametophytes, while no such a way or at minor level in sporophytes. Electron transfer inhibitor DCMU blocked the energy transfer from PSⅡ to PSⅠ in gametophytes, but no obvious effects on sporophytes. These indicated that excitation energy dis-tribution between two photosystems in gametophytes was more cooperative than that in sporophytes. These data in ontogenesis reflected the evolution process of photosynthetic organisms and supported the hypothesis of independent evolution of each photosystem.

  11. Profitability of locations for wind energy utilization. Investigation of the significant influence parameters

    International Nuclear Information System (INIS)

    The jurisdiction for the designation of sites for wind energy requires that sufficient space was procured within the created sites for wind energy to achieve an exclusionary effect in the rest of the plan area of wind energy. This means that the designated areas must allow the economic operation of wind turbines. It is often not easy to adequately determine and assess the suitability of an area. The project economics of wind energy projects is dependent on the individual case, and there is no general guideline for estimating the decision of municipalities. In the case of allegations of so-called ''prevention plan'' against communities in which seemingly unsuitable areas have been identified the dispute is usually settled by court. This represents a considerable effort. At this point, the present investigation shall begin to prepare and carry out more detailed studies on the economics of wind energy sites, which can be used for orientation in the evaluation of possible identified areas for wind energy. For this purpose, the results of the power generation costs of wind energy projects from the Scientific accompanying report wind energy for EEG Progress Report will first used and collectively evaluated, what conclusions can be obtained based on these results for the profitability of locations. Based on the database, which was developed as part of the scientific opinion accompanying wind energy for EEG Progress Report, then a sensitivity analysis is carried out with regard to individual parameters of the economics of wind energy projects. This means individual factors within the sample locations are varied and analyzes the impact on the project economics. Thus, statements about can be taken, how limits for individual factors can be defined in terms of project economics.

  12. The limits of local correlation theory: electronic delocalization and chemically smooth potential energy surfaces.

    Science.gov (United States)

    Subotnik, Joseph E; Sodt, Alex; Head-Gordon, Martin

    2008-01-21

    Local coupled-cluster theory provides an algorithm for measuring electronic correlation quickly, using only the spatial locality of localized electronic orbitals. Previously, we showed [J. Subotnik et al., J. Chem. Phys. 125, 074116 (2006)] that one may construct a local coupled-cluster singles-doubles theory which (i) yields smooth potential energy surfaces and (ii) achieves near linear scaling. That theory selected which orbitals to correlate based only on the distances between the centers of different, localized orbitals, and the approximate potential energy surfaces were characterized as smooth using only visual identification. This paper now extends our previous algorithm in three important ways. First, locality is now based on both the distances between the centers of orbitals as well as the spatial extent of the orbitals. We find that, by accounting for the spatial extent of a delocalized orbital, one can account for electronic correlation in systems with some electronic delocalization using fast correlation methods designed around orbital locality. Second, we now enforce locality on not just the amplitudes (which measure the exact electron-electron correlation), but also on the two-electron integrals themselves (which measure the bare electron-electron interaction). Our conclusion is that we can bump integrals as well as amplitudes, thereby gaining a tremendous increase in speed and paradoxically increasing the accuracy of our LCCSD approach. Third and finally, we now make a rigorous definition of chemical smoothness as requiring that potential energy surfaces not support artificial maxima, minima, or inflection points. By looking at first and second derivatives from finite difference techniques, we demonstrate complete chemical smoothness of our potential energy surfaces (bumping both amplitudes and integrals). These results are significant both from a theoretical and from a computationally practical point of view. PMID:18205484

  13. Constraints on the source of ultra-high energy cosmic rays using anisotropy vs chemical composition

    CERN Document Server

    Liu, Ruo-Yu; Lemoine, Martin; Wang, Xiang-Yu; Waxman, Eli

    2013-01-01

    The joint analysis of anisotropy signals and chemical composition of ultra-high energy cosmic rays offers strong potential for shedding light on the sources of these particles. Following up on an earlier idea, this paper studies the anisotropies produced by protons of energy >E/Z, assuming that anisotropies at energy >E have been produced by nuclei of charge Z, which share the same magnetic rigidity. We calculate the number of secondary protons produced through photodisintegration of the primary heavy nuclei. Making the extreme assumption that the source does not inject any proton, we find that the source(s) responsible for anisotropies such as reported by the Pierre Auger Observatory should lie closer than ~20-30, 80-100 and 180-200 Mpc if the anisotropy signal is mainly composed of oxygen, silicon and iron nuclei respectively. A violation of this constraint would otherwise result in the secondary protons forming a more significant anisotropy signal at lower energies. Even if the source were located closer t...

  14. Frost flowers on young Arctic sea ice: The climatic, chemical, and microbial significance of an emerging ice type

    DEFF Research Database (Denmark)

    Barber, D.; Ehn, J.; Pucko, M.;

    2014-01-01

    Ongoing changes in Arctic sea ice are increasing the spatial and temporal range of young sea ice types over which frost flowers can occur, yet the significance of frost flowers to ocean-sea ice-atmosphere exchange processes remains poorly understood. Frost flowers form when moisture from seawater...... formed. The new ice and frost flowers dramatically changed the radiative and thermal environment. The frost flowers were about 5°C colder than the brine surface, with an approximately linear temperature gradient from their base to their upper tips. Salinity and δ18O values indicated that frost flowers...

  15. Quarterly progress report for the Chemical and Energy Research Section of the Chemical Technology Division: October-December 1997

    Energy Technology Data Exchange (ETDEWEB)

    Jubin, R.T.

    1999-02-01

    This report summarizes the major activities conducted in the Chemical and Energy Research Section of the Chemical Technology Division at Oak Ridge National Laboratory (ORNL) during the period October--December 1997. The section conducts basic and applied research and development in chemical engineering, applied chemistry, and bioprocessing, with an emphasis on energy-driven technologies and advanced chemical separations for nuclear and waste applications. The report describes the various tasks performed within six major areas of research: Hot Cell Operations, Process Chemistry and Thermodynamics, Separations and Materials Synthesis, Fluid Structure and Properties, Biotechnology Research, and Molecular Studies. The name of a technical contact is included with each task described, and readers are encouraged to contact these individuals if they need additional information. Activities conducted within the area of Hot Cell Operations included efforts to optimize the processing conditions for Enhanced Sludge Washing of Hanford tank sludge, the testing of candidate absorbers and ion exchangers under continuous-flow conditions using actual supernatant from the Melton Valley Storage Tanks, and attempts to develop a cesium-specific spherical inorganic sorbent for the treatment of acidic high-salt waste solutions. Within the area of Process Chemistry and Thermodynamics, the problem of solids formation in process solutions from caustic treatment of Hanford sludge was addressed and experimental collaborative efforts with Russian scientists to determine the solidification conditions of yttrium barium, and copper oxides from their melts were completed.

  16. CHEMICALS

    CERN Multimedia

    Medical Service

    2002-01-01

    It is reminded that all persons who use chemicals must inform CERN's Chemistry Service (TIS-GS-GC) and the CERN Medical Service (TIS-ME). Information concerning their toxicity or other hazards as well as the necessary individual and collective protection measures will be provided by these two services. Users must be in possession of a material safety data sheet (MSDS) for each chemical used. These can be obtained by one of several means : the manufacturer of the chemical (legally obliged to supply an MSDS for each chemical delivered) ; CERN's Chemistry Service of the General Safety Group of TIS ; for chemicals and gases available in the CERN Stores the MSDS has been made available via EDH either in pdf format or else via a link to the supplier's web site. Training courses in chemical safety are available for registration via HR-TD. CERN Medical Service : TIS-ME :73186 or service.medical@cern.ch Chemistry Service : TIS-GS-GC : 78546

  17. Qingtongxia Aluminum Carrying Out Off-site Renovation in Ningdong Energy & Chemical Base

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    <正>Recently,the off-site renovation project of Qingtongxia Aluminum commenced the con- struction in Linhe General Industrial Park of Ningdong Energy & Chemical Base,symboliz- ing a concrete step of Qingtongxia Aluminum

  18. Minimizing the Free Energy: A Computer Method for Teaching Chemical Equilibrium Concepts.

    Science.gov (United States)

    Heald, Emerson F.

    1978-01-01

    Presents a computer method for teaching chemical equilibrium concepts using material balance conditions and the minimization of the free energy. Method for the calculation of chemical equilibrium, the computer program used to solve equilibrium problems and applications of the method are also included. (HM)

  19. Quantum chemical approach for condensed-phase thermochemistry (III): Accurate evaluation of proton hydration energy and standard hydrogen electrode potential

    Science.gov (United States)

    Ishikawa, Atsushi; Nakai, Hiromi

    2016-04-01

    Gibbs free energy of hydration of a proton and standard hydrogen electrode potential were evaluated using high-level quantum chemical calculations. The solvent effect was included using the cluster-continuum model, which treated short-range effects by quantum chemical calculations of proton-water complexes, and the long-range effects by a conductor-like polarizable continuum model. The harmonic solvation model (HSM) was employed to estimate enthalpy and entropy contributions due to nuclear motions of the clusters by including the cavity-cluster interactions. Compared to the commonly used ideal gas model, HSM treatment significantly improved the contribution of entropy, showing a systematic convergence toward the experimental data.

  20. Testing chemical composition of highest energy comic rays

    CERN Document Server

    Nosek, D; Noskova, J; Ebr, J

    2013-01-01

    We study basic characteristics of distributions of the depths of shower maximum in air showers caused by cosmic rays with the highest energies. The consistency between their average values and widths, and their energy dependences are discussed within a simple phenomenological model of shower development independently of assumptions about detailed features of high--energy interactions. It is shown that reliable information on primary species can be derived within a partition method. We present examples demonstrating implications for the changes in mass composition of primary cosmic rays.

  1. Chemical fluctuations in high-energy nuclear collisions

    OpenAIRE

    Mrowczynski, Stanislaw

    1999-01-01

    Fluctuations of the chemical composition of the hadronic system produced in nuclear collisions are discussed using the $\\Phi-$measure which has been earlier applied to study the transverse momentum fluctuations. The measure is expressed through the moments of the multiplicity distribution and then the properties of $\\Phi$ are discussed within a few models of multiparticle production. A special attention is paid to the fluctuations in the equilibrium ideal quantum gas. The system of kaons and ...

  2. Targeted energy transfer between a Rotor and a Morse oscillator: A model for selective chemical dissociation

    OpenAIRE

    Memboeuf, Antony; Aubry, Serge

    2005-01-01

    Standard Kramers theory of chemical reactions involves a coupling with a Langevin thermal bath which intrinsically forbids the possible existence of Discrete Breathers (DBs) (i.e. local modes). However, it is now known that in complex systems, that energy may focus for long time as Discrete Breathers (local mode). In very special systems, targeted energy transfer may occur subsequently to another selected site and induces an ultraselective chemical reaction operating at low temperature. The d...

  3. Bioelectrochemical Integration of Waste Heat Recovery, Waste-to- Energy Conversion, and Waste-to-Chemical Conversion with Industrial Gas and Chemical Manufacturing Processes

    Energy Technology Data Exchange (ETDEWEB)

    Mac Dougall, James [Air Products and Chemicals, Inc., Allentown, PA (United States)

    2016-02-05

    Many U.S. manufacturing facilities generate unrecovered, low-grade waste heat, and also generate or are located near organic-content waste effluents. Bioelectrochemical systems, such as microbial fuel cells and microbial electrolysis cells, provide a means to convert organic-content effluents into electric power and useful chemical products. A novel biochemical electrical system for industrial manufacturing processes uniquely integrates both waste heat recovery and waste effluent conversion, thereby significantly reducing manufacturing energy requirements. This project will enable the further development of this technology so that it can be applied across a wide variety of US manufacturing segments, including the chemical, food, pharmaceutical, refinery, and pulp and paper industries. It is conservatively estimated that adoption of this technology could provide nearly 40 TBtu/yr of energy, or more than 1% of the U.S. total industrial electricity use, while reducing CO2 emissions by more than 6 million tons per year. Commercialization of this technology will make a significant contribution to DOE’s Industrial Technology Program goals for doubling energy efficiency and providing a more robust and competitive domestic manufacturing base.

  4. Perspective on Free-Energy Perturbation Calculations for Chemical Equilibria

    Science.gov (United States)

    Jorgensen, William L.; Thomas, Laura L.

    2009-01-01

    An overview is provided on the computation of free energy changes in solution using perturbation theory, overlap sampling, and related approximate methods. As a specific application, extensive results are provided for free energies of hydration of substituted benzenes using the OPLS-AA force field in explicit TIP4P water. For a similar amount of computer time, the double-wide sampling and overlap sampling methods yield very similar results in the free-energy perturbation calculations. With standard protocols, the average statistical uncertainty in computed differences in free energies of hydration is 0.1 – 0.2 kcal/mol. Application of the power-series expansion in the Peierls equation was also tested. Use of the first-order term is generally reliable, while inclusion of the slowly-convergent, second-order fluctuation term causes deterioration in the results for strongly hydrogen-bonded solutes. PMID:19936324

  5. Tea brewed in traditional metallic teapots as a significant source of lead, nickel and other chemical elements.

    Science.gov (United States)

    Bolle, F; Brian, W; Petit, D; Boutakhrit, K; Feraille, G; Van Loco, J

    2011-09-01

    An environmental inquiry conducted by the Brussels Inter-communal Laboratory of Chemistry and Bacteriology (BILCB) has revealed that in 2000a traditional metallic teapot caused in Brussels lead intoxication among a family of Morocco origin. Following this case study of lead poisoning and subsequent preliminary results carried out by the BILCB, which confirmed the dangerousness of this kind of item, samples of traditional metallic teapots were collected from North African groceries in Brussels by the Institute of Public Health (IPH) in collaboration with the BILCB and the Federal Agency for the Safety of the Food Chain (FASFC). Aluminium, copper, iron, nickel, lead and zinc were analysed to identify metals with a potential to migrate into tea solutions. Simulants (natural tea, tea acidified with citric acid and citric acid) were brewed in those teapots in order to identify the leaching potential of migration at boiling point temperature for different contact periods. Multi-elementary analysis was carried out by inductively coupled plasma-atomic emission spectrometry (ICP-AES). It was concluded that the concentrations of those leached metals depend on the nature of the migration liquids, the type of teapots and the contact periods. Most teapots showed a high level of toxic metals in leachates for lead and to a less extent for nickel, which can contribute significantly to the risk of serious poisoning. A comparison of the results with the toxicological reference values was done. The teapots were withdrawn from the market by the FASFC. PMID:21749233

  6. Optimization study of OTEC delivery systems based on chemical-energy carriers. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Konopka, A.J.; Talib, A.; Yudow, B.; Biederman, N.

    1976-12-01

    The techno-economic feasibility of chemical energy carriers was studied. Specifically, the chemical energy carriers analyzed were hydrogen, as a gas and as a liquid, and liquid ammonia. Designs of systems for producing and transporting chemical energy to shore were completed. Estimates of the cost at which chemical energy would be available from an onshore terminal have been prepared; these estimates are expressed as a function of two major variables-the shaft-power cost on board the OTEC plant and the distance of the OTEC plant from shore. The size and weight characteristics of chemical energy plants that could be placed on board an OTEC plant were estimated. A techno-economic evaluation of the marine riser connecting the OTEC platform with an ocean-bed platform was provided. A technical and economic evaluation of conversion of delivered ammonia to ammonium nitrate and urea was completed and a general analysis of chemical energy reconverted into electricity onshore was also made. The information for the major project tasks--production, transmission, terminaling, and conversion back to electricity--is given.

  7. Significance of Dynamic and Transient Analysis in the Design and Operation of Hybrid Energy Systems

    Energy Technology Data Exchange (ETDEWEB)

    Panwar, Mayank; Mohanpurkar, Manish; Hovsapian, Rob; Osorio, Julian D.

    2015-02-01

    Energy systems were historically designed and operated with a specific energy conversion objective, while managing loads and resources. In the recent years, the increased utilization of non-dispatchable renewable sources such as wind and solar has played a role in power quality and the reliability of power systems. In order to mitigate the risk associated with the non-dispatchable resources an integrated approach, such as Hybrid Energy Systems (HES), has to be taken, integrating the loads and resource management between the traditional thermal power plants and the non-dispatchable resources. As our electric energy becomes more diverse in its generation resources, the HES with its operational control system, its real-time view and its dynamic decisions making will become an essential part of the integrated energy systems and improve the overall grid reliability. The operational constraints of the energy sources on both the thermal power plants and the non-dispatchable resources in HES, plays a vital role in the planning and design stage. It is an established fact that the choice of energy source depends on the available natural resources and possible infrastructure. A critical component of decision-making depends on the complementary nature and controllability of the energy sources to supply the load demands with high reliability. Controllability of complex HES to achieve desired performance and flexibility is implemented via coordinated control systems while simultaneously generating electricity and other useful products such as useful heat or hydrogen. These systems are based on instrumentation, signal processing, control theory, and engineering system design. The entire HES along with the control systems are characterized by widely varying time constants. Hence, for a well-coordinated control and operation, we propose physics based modeling of the subsystems to assist in a dynamic and transient analysis. Dynamic and transient analysis in real and non-real time

  8. Significance of Dynamic and Transient Analysis in the Design and Operation of Hybrid Energy Systems

    International Nuclear Information System (INIS)

    Energy systems were historically designed and operated with a specific energy conversion objective, while managing loads and resources. In the recent years, the increased utilization of non-dispatchable renewable sources such as wind and solar has played a role in power quality and the reliability of power systems. In order to mitigate the risk associated with the non-dispatchable resources an integrated approach, such as Hybrid Energy Systems (HES), has to be taken, integrating the loads and resource management between the traditional thermal power plants and the non-dispatchable resources. As our electric energy becomes more diverse in its generation resources, the HES with its operational control system, its real-time view and its dynamic decisions making will become an essential part of the integrated energy systems and improve the overall grid reliability. The operational constraints of the energy sources on both the thermal power plants and the non-dispatchable resources in HES, plays a vital role in the planning and design stage. It is an established fact that the choice of energy source depends on the available natural resources and possible infrastructure. A critical component of decision-making depends on the complementary nature and controllability of the energy sources to supply the load demands with high reliability. Controllability of complex HES to achieve desired performance and flexibility is implemented via coordinated control systems while simultaneously generating electricity and other useful products such as useful heat or hydrogen. These systems are based on instrumentation, signal processing, control theory, and engineering system design. The entire HES along with the control systems are characterized by widely varying time constants. Hence, for a well-coordinated control and operation, we propose physics based modeling of the subsystems to assist in a dynamic and transient analysis. Dynamic and transient analysis in real and non-real time

  9. Converting Light Energy to Chemical Energy: A New Catalytic Approach for Sustainable Environmental Remediation

    Science.gov (United States)

    2016-01-01

    We report a synthetic approach to form cubic Cu2O/Pd composite structures and demonstrate their use as photocatalytic materials for tandem catalysis. Pd nanoparticles were deposited onto Cu2O cubes, and their tandem catalytic reactivity was studied via the reductive dehalogenation of polychlorinated biphenyls. The Pd content of the materials was gradually increased to examine its influence on particle morphology and catalytic performance. Materials were prepared at different Pd amounts and demonstrated a range of tandem catalytic reactivity. H2 was generated via photocatalytic proton reduction initiated by Cu2O, followed by Pd-catalyzed dehalogenation using in situ generated H2. The results indicate that material morphology and composition and substrate steric effects play important roles in controlling the overall reaction rate. Additionally, analysis of the postreacted materials revealed that a small number of the cubes had become hollow during the photodechlorination reaction. Such findings offer important insights regarding photocatalytic active sites and mechanisms, providing a pathway toward converting light-based energy to chemical energy for sustainable catalytic reactions not typically driven via light.

  10. Chemical energy in an introductory physics course for the life sciences

    CERN Document Server

    Dreyfus, Benjamin W; Geller, Benjamin D; Sawtelle, Vashti; Turpen, Chandra; Redish, Edward F

    2013-01-01

    Energy is a complex idea that cuts across scientific disciplines. For life science students, an approach to energy that incorporates chemical bonds and chemical reactions is better equipped to meet the needs of life sciences students than a traditional introductory physics approach that focuses primarily on mechanical energy. We present a curricular sequence, or thread, designed to build up students' understanding of chemical energy in an introductory physics course for the life sciences. This thread is designed to connect ideas about energy from physics, biology, and chemistry. We describe the kinds of connections among energetic concepts that we intended to develop to build interdisciplinary coherence, and present some examples of curriculum materials and student data that illustrate our approach.

  11. Propagation and Chemical Composition of Ultra High Energy Cosmic Rays

    CERN Document Server

    Aloisio, R

    2007-01-01

    Extragalactic cosmic ray protons with an injection spectrum of the type $E^{-2.7}$ show a spectrum on earth with a dip due to the Bethe-Heitler pair production against the photons of the cosmic microwave background. The dip is produced in the energy region $10^{18} - 4\\times 10^{19}$ eV with position and shape that reproduce with high accuracy the spectrum observed experimentally. This interpretation of the observed data predicts the existence of an energy scale that signals a possible transition from galactic to extragalactic cosmic rays. In fact, at energies lower than a characteristic value $E_c\\approx 1\\times 10^{18}$ eV, determined by the equality between the rate of energy losses due to pair production and adiabatic losses, the spectrum of cosmic rays flattens in all cases of interest. In this model, the transition from galactic to extragalactic cosmic rays occurs at some energy below $E_c$, corresponding to the position of the so-called second knee. Another viable explanation of the observed data is ba...

  12. Chemical fluctuations in high-energy nuclear collisions

    CERN Document Server

    Mrówczynski, S

    1999-01-01

    Fluctuations of the chemical composition of the hadronic system produced in nuclear collisions are discussed using the $\\Phi-$measure which has been earlier applied to study the transverse momentum fluctuations. The measure is expressed through the moments of the multiplicity distribution and then the properties of $\\Phi$ are discussed within a few models of multiparticle production. A special attention is paid to the fluctuations in the equilibrium ideal quantum gas. The system of kaons and pions, which is particularly interesting from the experimental point of view, is discussed in detail.

  13. Chemical equilibration of quarks and gluons at RHIC and LHC energies

    CERN Document Server

    Elliott, D M; Elliott, Duncan M.; Rischke, Dirk H.

    2000-01-01

    We study chemical equilibration of quarks and gluons in central nuclear collisions at RHIC and LHC energies. The initial quark and gluon densities are taken from earlier studies as well as from recent perturbative QCD estimates and are then evolved via rate equations coupled to longitudinally boost-invariant fluid dynamics. We find that, for RHIC initial conditions, the lifetime of quark-gluon matter is not sufficiently long enough to chemically equilibrate the quark and gluon number densities prior to hadronization. In contrast, at LHC energies equilibration is complete before the system hadronizes. Entropy production due to chemical equilibration can be as large as 30 %.

  14. Tapping Landfill Gas to Provide Significant Energy Savings and Greenhouse Gas Reductions - Case Study

    Energy Technology Data Exchange (ETDEWEB)

    None

    2013-04-30

    BroadRock Renewables, LLC built two high efficiency electricity generating facilities that utilize landfill gas in California and Rhode Island. The two projects received a total of $25 million in U.S. Department of Energy funding from the American Recovery and Reinvestment Act (ARRA) of 2009. Private-sector cost share for the projects totaled approximately $186 million.

  15. Nuclear and energies. Synthesis of significant events from June 2013 to December 2013

    International Nuclear Information System (INIS)

    The first two articles concern the energy sector, generally speaking. Among them, the first one addresses the issue of energy transition (perspectives in France, situation in Germany where transition appears to be expensive and polluting with some perverse effects, a world shock wave created by shale gases, proposition by EDF to extend power station life duration from 40 to 50 years, EDF's commitment in nuclear revival in the UK and withdrawal from the USA, new strategy for GDF-Suez) and the second one current events in the renewable energy sector (in China, Germany, UK and Canada, French policy, wind energy bids in France). A second set of articles addresses the nuclear sector: recent evolutions of the uranium industry (mining activities and locations), the back end of the fuel cycle and the dismantling (activities of AREVA, public debate on Cigeo and building permit for ICEDA in France, activities and measures in Germany, in England, in the USA, and in Japan, study performed by the Nuclear Energy Agency on the economic aspect of the back end of the nuclear fuel cycle), the situation of nuclear reactors (perspectives in the world for 2050, perspectives, activities and important events in France, Belgium, Netherlands, United Kingdom, Finland, including the EPR, Turkey, Poland, Czech Republic, Belarus, Russia, China, South Korea, India, Pakistan, Japan, USA and Brazil), the deconstruction of nuclear power plants (legal framework in France, wastes as a major issue for dismantling, industrial challenges of dismantling). The last set of articles concern social and societal aspects of the nuclear sector: recent events in France (for AREVA regarding staff and investments, anti-nuclear activities and momentum), the Cigeo project of geological disposal of high-activity nuclear wastes, hostages in Niger, and diplomatic advances about the Iranian nuclear programme issue

  16. Photoassisted electrolysis of water - Conversion of optical to chemical energy

    Science.gov (United States)

    Wrighton, M. S.; Bolts, J. M.; Kaiser, S. W.; Ellis, A. B.

    1976-01-01

    A description is given of devices, termed photoelectrochemical cells, which can, in principle, be used to directly convert light to fuels and/or electricity. The fundamental principles on which the photoelectrochemical cell is based are related to the observation that irradiation of a semiconductor electrode in an electrochemical cell can result in the flow of an electric current in the external circuit. Attention is given to the basic mechanisms involved, the energy conversion efficiency, the advantages of photoelectrochemical cells, and the results of investigations related to the study of energy conversion via photoelectrochemical cells.

  17. Chemical energy in cold-cloud aggregates - The origin of meteoritic chondrules

    Science.gov (United States)

    Clayton, D. D.

    1980-01-01

    If interstellar particles and molecules accumulate into larger particles during the collapse of a cold cloud, the resulting aggregates contain a large store of internal chemical energy. It is here proposed that subsequent warming of these accumulates leads to a thermal runaway when exothermic chemical reactions begin within the aggregate. These, after cooling, are the crystalline chondrules found so abundantly within chondritic meteorites. Chemical energy can also heat meteoritic parent bodies of any size, and both thermal metamorphism and certain molten meteorites are proposed to have occurred in this way. If this new theory is correct, (1) the model of chemical condensation in a hot gaseous solar system is eliminated, and (2) a new way of studying the chemical evolution of the interstellar medium has been found. A simple dust experiment on a comet flyby is proposed to test some features of this controversy.

  18. CO2 recycling: a key strategy to introduce green energy in the chemical production chain.

    Science.gov (United States)

    Perathoner, Siglinda; Centi, Gabriele

    2014-05-01

    The introduction of renewable energy in the chemical production chain is a key strategic factor both to realize a sustainable, resource-efficient, low-carbon economy and society and to drive innovation and competiveness in the chemical production. This Concept discusses this concept in terms of motivations, perspectives, and impact as well as technical barriers to achieve this goal. It is shown how an important element to realize this scenario is to foster the paths converting carbon dioxide (CO2) into feedstock for the chemical/process industry, which is one of the most efficient methods to rapidly introduce renewable energy into the chemical production chain. Some of the possible options to proceed in this direction are discussed, with focus on the technical barriers and enabling factors such as catalysis. The tight interconnection between CO2 management and the use of renewable energy is evidenced. PMID:24599714

  19. Capacitive technology for energy extraction from chemical potential differences

    NARCIS (Netherlands)

    Bastos Sales, B.

    2013-01-01

    This thesis introduces the principle of Capacitive energy extraction based on Donnan Potential (CDP) to exploit salinity gradients. It also shows the fundamental characterization and improvements of CDP. An alternative application of this technology aimed at thermal gradients was tested.  

  20. Biomass as a Sustainable Energy Source: An Illustration of Chemical Engineering Thermodynamic Concepts

    Science.gov (United States)

    Mohan, Marguerite A.; May, Nicole; Assaf-Anid, Nada M.; Castaldi, Marco J.

    2006-01-01

    The ever-increasing global demand for energy has sparked renewed interest within the engineering community in the study of sustainable alternative energy sources. This paper discusses a power generation system which uses biomass as "fuel" to illustrate the concepts taught to students taking a graduate level chemical engineering process…

  1. Energetic and chemical use of waste material and renewable energies

    Energy Technology Data Exchange (ETDEWEB)

    Nielsen, C.; Houmoeller, A.P. [ELSAM, Fredericia (Denmark)

    1996-12-31

    The paper will begin with a summary of the Danish energy policies from the mid-1970s and until today when the focus is on national self-sufficiency and combined heat and power - including industrial combined heat and power and renewable energies with emphasis on wind turbines and biofuels. The planning conditions of the Danish electricity utilities will be discussed, i.e. 20 per cent CO{sub 2} reduction by 2005, continuous reduction of SO{sub 2} and NO{sub x}, and finally the conversion of 5 per cent of the fuel from coal to straw and wood chips. Afterwards, the status of biofuels in Denmark will be described with emphasis on resources and prices. The main biofuel in Denmark is surplus production from agriculture - straw or other biofuels with straw-like properties. (orig./GL)

  2. Negative-energy spinors and the Fock space of lattice fermions at finite chemical potential

    CERN Document Server

    Mendel, E

    1994-01-01

    Abstract: Recently it was suggested that the problem of species doubling with Kogut-Susskind lattice fermions entails, at finite chemical potential, a confusion of particles with antiparticles. What happens instead is that the familiar correspondence of positive-energy spinors to particles, and of negative-energy spinors to antiparticles, ceases to hold for the Kogut-Susskind time derivative. To show this we highlight the role of the spinorial ``energy'' in the Osterwalder-Schrader reconstruction of the Fock space of non-interacting lattice fermions at zero temperature and nonzero chemical potential. We consider Kogut-Susskind fermions and, for comparison, fermions with an asymmetric one-step time derivative.

  3. Chemical potential and internal energy of the noninteracting Fermi gas in fractional-dimensional space

    Indian Academy of Sciences (India)

    S Panda; B K Panda

    2010-09-01

    Chemical potential and internal energy of a noninteracting Fermi gas at low temperature are evaluated using the Sommerfeld method in the fractional-dimensional space. When temperature increases, the chemical potential decreases below the Fermi energy for any dimension equal to 2 and above due to the small entropy, while it increases above the Fermi energy for dimensions below 2 as a result of high entropy. The ranges of validity of the truncated series expansions of these quantities are extended from low to intermediate temperature regime as well as from high to relatively low density regime by using the Pad ́e approximant technique.

  4. Valorization of rendering industry wastes and co-products for industrial chemicals, materials and energy: review.

    Science.gov (United States)

    Mekonnen, Tizazu; Mussone, Paolo; Bressler, David

    2016-01-01

    Over the past decades, strong global demand for industrial chemicals, raw materials and energy has been driven by rapid industrialization and population growth across the world. In this context, long-term environmental sustainability demands the development of sustainable strategies of resource utilization. The agricultural sector is a major source of underutilized or low-value streams that accompany the production of food and other biomass commodities. Animal agriculture in particular constitutes a substantial portion of the overall agricultural sector, with wastes being generated along the supply chain of slaughtering, handling, catering and rendering. The recent emergence of bovine spongiform encephalopathy (BSE) resulted in the elimination of most of the traditional uses of rendered animal meals such as blood meal, meat and bone meal (MBM) as animal feed with significant economic losses for the entire sector. The focus of this review is on the valorization progress achieved on converting protein feedstock into bio-based plastics, flocculants, surfactants and adhesives. The utilization of other rendering streams such as fat and ash rich biomass for the production of renewable fuels, solvents, drop-in chemicals, minerals and fertilizers is also critically reviewed. PMID:25163531

  5. Optimising energy recovery and use of chemicals, resources and materials in modern waste-to-energy plants

    Energy Technology Data Exchange (ETDEWEB)

    De Greef, J.; Villani, K.; Goethals, J.; Van Belle, H. [Keppel Seghers, Center of Excellence, Hoofd 1, B-2830 Willebroek (Belgium); Van Caneghem, J., E-mail: jo.vancaneghem@cit.kuleuven.be [University of Leuven, Department of Chemical Engineering, ProcESS (Process Engineering for Sustainable Systems) Division, Willem De Croylaan 46, 3001 Leuven (Belgium); Group T Leuven Engineering College, Association of the University of Leuven, Andreas Vesaliusstraat 13, B-3000 Leuven (Belgium); Vandecasteele, C. [University of Leuven, Department of Chemical Engineering, ProcESS (Process Engineering for Sustainable Systems) Division, Willem De Croylaan 46, 3001 Leuven (Belgium)

    2013-11-15

    Highlights: • WtE plants are to be optimized beyond current acceptance levels. • Emission and consumption data before and after 5 technical improvements are discussed. • Plant performance can be increased without introduction of new techniques or re-design. • Diagnostic skills and a thorough understanding of processes and operation are essential. - Abstract: Due to ongoing developments in the EU waste policy, Waste-to-Energy (WtE) plants are to be optimized beyond current acceptance levels. In this paper, a non-exhaustive overview of advanced technical improvements is presented and illustrated with facts and figures from state-of-the-art combustion plants for municipal solid waste (MSW). Some of the data included originate from regular WtE plant operation – before and after optimisation – as well as from defined plant-scale research. Aspects of energy efficiency and (re-)use of chemicals, resources and materials are discussed and support, in light of best available techniques (BAT), the idea that WtE plant performance still can be improved significantly, without direct need for expensive techniques, tools or re-design. In first instance, diagnostic skills and a thorough understanding of processes and operations allow for reclaiming the silent optimisation potential.

  6. Optimising energy recovery and use of chemicals, resources and materials in modern waste-to-energy plants

    International Nuclear Information System (INIS)

    Highlights: • WtE plants are to be optimized beyond current acceptance levels. • Emission and consumption data before and after 5 technical improvements are discussed. • Plant performance can be increased without introduction of new techniques or re-design. • Diagnostic skills and a thorough understanding of processes and operation are essential. - Abstract: Due to ongoing developments in the EU waste policy, Waste-to-Energy (WtE) plants are to be optimized beyond current acceptance levels. In this paper, a non-exhaustive overview of advanced technical improvements is presented and illustrated with facts and figures from state-of-the-art combustion plants for municipal solid waste (MSW). Some of the data included originate from regular WtE plant operation – before and after optimisation – as well as from defined plant-scale research. Aspects of energy efficiency and (re-)use of chemicals, resources and materials are discussed and support, in light of best available techniques (BAT), the idea that WtE plant performance still can be improved significantly, without direct need for expensive techniques, tools or re-design. In first instance, diagnostic skills and a thorough understanding of processes and operations allow for reclaiming the silent optimisation potential

  7. On the Use of Energy Storage Technologies for Regulation Services in Electric Power Systems with Significant Penetration of Wind Energy

    DEFF Research Database (Denmark)

    Yang, Bo; Makarov, Yuri; Desteese, John;

    2008-01-01

    and frequently changing regulation signal. Several energy storage options have been analyzed based on thirteen selection criteria. The evaluation process resulted in the selection of flywheels, pumped hydro electric power (or conventional hydro electric power) plant and sodium sulfur or nickel cadmium batteries......Energy produced by intermittent renewable resources is sharply increasing in the United States. At high penetration levels, volatility of wind power production could cause additional problems for the power system balancing functions such as regulation. This paper reports some partial results...... of a project work, recently conducted by the Pacific Northwest National Laboratory (PNNL) for Bonneville Power Administration (BPA). The project proposes to mitigate additional intermittency with the help of Wide Area Energy Management System (WAEMS) that would provide a two-way simultaneous regulation service...

  8. The establishment and significance of district/regional roof cadastres in the utilization of solar energy

    Directory of Open Access Journals (Sweden)

    Szalontai Lajos

    2014-11-01

    Full Text Available After its establishment, the roof cadastre - solar cadastre I wish to introduce in this article will form a database, with the help of which we will be able to analyse solar radiation factors on the local level (street, house, and a map display will also be available. Through the implementation of the appropriate methods, we can establish roof/solar cadastres on the settlement/district/regional level and these can help to increase the rate of utilization of renewable energy sources.

  9. Replacement of chemical rocket launchers by beamed energy propulsion.

    Science.gov (United States)

    Fukunari, Masafumi; Arnault, Anthony; Yamaguchi, Toshikazu; Komurasaki, Kimiya

    2014-11-01

    Microwave Rocket is a beamed energy propulsion system that is expected to reach space at drastically lower cost. This cost reduction is estimated by replacing the first-stage engine and solid rocket boosters of the Japanese H-IIB rocket with Microwave Rocket, using a recently developed thrust model in which thrust is generated through repetitively pulsed microwave detonation with a reed-valve air-breathing system. Results show that Microwave Rocket trajectory, in terms of velocity versus altitude, can be designed similarly to the current H-IIB first stage trajectory. Moreover, the payload ratio can be increased by 450%, resulting in launch-cost reduction of 74%. PMID:25402933

  10. Replacement of chemical rocket launchers by beamed energy propulsion.

    Science.gov (United States)

    Fukunari, Masafumi; Arnault, Anthony; Yamaguchi, Toshikazu; Komurasaki, Kimiya

    2014-11-01

    Microwave Rocket is a beamed energy propulsion system that is expected to reach space at drastically lower cost. This cost reduction is estimated by replacing the first-stage engine and solid rocket boosters of the Japanese H-IIB rocket with Microwave Rocket, using a recently developed thrust model in which thrust is generated through repetitively pulsed microwave detonation with a reed-valve air-breathing system. Results show that Microwave Rocket trajectory, in terms of velocity versus altitude, can be designed similarly to the current H-IIB first stage trajectory. Moreover, the payload ratio can be increased by 450%, resulting in launch-cost reduction of 74%.

  11. Biorefineries to integrate fuel, energy and chemical production processes

    Directory of Open Access Journals (Sweden)

    Enrica Bargiacchi

    2007-12-01

    Full Text Available The world of renewable energies is in fast evolution and arouses political and public interests, especially as an opportunity to boost environmental sustainability by mitigation of greenhouse gas emissions. This work aims at examining the possibilities related to the development of biorefineries, where biomass conversion processes to produce biofuels, electricity and biochemicals are integrated. Particular interest is given to the production processes of biodiesel, bioethanol and biogas, for which present world situation, problems, and perspectives are drawn. Potential areas for agronomic and biotech researches are also discussed. Producing biomass for biorefinery processing will eventually lead to maximize yields, in the non food agriculture.

  12. Alternative forms of energy transmission from OTEC plants. [Chemical and electrical

    Energy Technology Data Exchange (ETDEWEB)

    Konopka, A.; Biederman, N.; Talib, A.; Yudow, B.

    1977-01-01

    The transmission of OTEC-derived chemical and electrical energy is compared. The chemical energy-carriers considered are the following: gaseous and liquid hydrogen, liquid ammonia, methanol, gasoline, hydrazine hydrate, anhydrous hydrazine, unsymmetrical dimethylhydrazine (UDMH), 1,7-Octadiyne, and tetrahydrodicyclopentadiene. The assessment assumes that each of the above energy carriers were transported by barge and/or pipeline. The delivered costs were then compared with transmission of electricity by submarine cables. Because chemical and electrical energy are not equivalent, however, their comparison can only be done after the outputs are converted to a common form. Thus, in addition to presenting the delivered cost and overall energy efficiency of the chemical energy-carriers, we have provided a discussion of the equipment, costs, and efficiencies of converting the hydrogen and ammonia delivered into electricity, and the electricity delivered into hydrogen and ammonia. A concise technical assessment and economic analysis of components associated with the conversion, storage, transportation, and shore-based receiving facilities for the conversion of OTEC mechanical energy to chemical energy is provided and compared to the conversion and transmission of electrical power. Results concerning the hydrogen and ammonia analysis were determined as part of the OTEC program at IGT from May 1975 through May 1976 under Contract No. NSF-C1008 (AER-75-00033) with the National Science Foundation and ERDA. Information concerning carbonaceous fuels and high-energy fuels production was developed as part of the current IGT OTEC program under Contract No. E(49-18)-2426 with ERDA.

  13. Biotechnology in China II. Chemicals, energy and environment

    Energy Technology Data Exchange (ETDEWEB)

    Tsao, G.T. [Purdue Univ., West Lafayette, IN (United States). Lab. Renewable Resources Engineering; Ouyang, Pingkai [Nanjing Univ. of Technology (China). College of Life Science and Pharmaceutical Engineering; Chen, Jian (eds.) [Jiangnan Univ., Wuxi (China). School of Biotechnology

    2010-07-01

    , biochemists, molecular biologists, bioengineers, chemical engineers, and food and pharmaceutical chemists, environmental engineers working in industry, at universities or at public institutions. The volume editors and the authors of the individual chapters have been chosen for their recognized expertise and their contributions to the various fields of biotechnology. Their willingness to impart this knowledge to their colleagues forms the basis of the book and is gratefully acknowledged. Moreover, this work could not have been brought to fruition without the foresight and the constant and diligent support from the Springer. The seven chapters are organized by more than 20 outstanding biotechnological groups in China. The first chapter reviews the general development history and the perspectives of the industrial biotechnology in China. The next two chapters consider the biotechnological production of organic chemicals and biofuels in China. The fourth chapter summarizes the development of bioreactors and bioseparation. The fifth chapter gives a profile on the current status of environmental biotechnology in China. Special attention is given here to traditional Chinese biotechnology. The last chapter describes the new biotechnology in China. A carefully selected and distinguished Editorial Board stands behind the series. Its members come from key institutions representing scientific input from about 20 countries. We are grateful to Springer for publishing Advances in Biochemical Engineering/Biotechnology with their customary excellence. Special thanks are due to Editorial Board, without whose constant efforts the volumes could not be published. Finally, the editors wish to thank the Chinese researchers working in the field for their diligence, courage and wisdom, which greatly facilitate the development of Chinese biotechnology. We believe that we have tried our best to draw a more comprehensive atlas for the development of biochemical engineering and biotechnology in China

  14. Free Energies of Chemical Reactions in Solution and in Enzymes with Ab Initio Quantum Mechanics/Molecular Mechanics Methods

    Science.gov (United States)

    Hu, Hao; Yang, Weitao

    2008-05-01

    Combined quantum mechanics/molecular mechanics (QM/MM) methods provide an accurate and efficient energetic description of complex chemical and biological systems, leading to significant advances in the understanding of chemical reactions in solution and in enzymes. Here we review progress in QM/MM methodology and applications, focusing on ab initio QM-based approaches. Ab initio QM/MM methods capitalize on the accuracy and reliability of the associated quantum-mechanical approaches, however, at a much higher computational cost compared with semiempirical quantum-mechanical approaches. Thus reaction-path and activation free-energy calculations based on ab initio QM/MM methods encounter unique challenges in simulation timescales and phase-space sampling. This review features recent developments overcoming these challenges and enabling accurate free-energy determination for reaction processes in solution and in enzymes, along with applications.

  15. Degree of Chemical Non-equilibrium in Central Au-Au Collisions at RHIC energies

    CERN Document Server

    Tawfik, Abdel Nasser; Habashy, D M; Mohamed, M T; Abbas, Ehab

    2014-01-01

    We investigate the difference between hadron resonance gas (HRG) calculations for chemical freeze-out parameters at fully and partly chemical equilibria. To this end, the results are compared with the particle ratios measured in central Au-Au collisions at a wide range of nucleon-nucleon center-of-mass energies, \\hbox{$\\sqrt{s_{NN}}=7.7-200 $GeV} as offered by the STAR experiment. We restrict the discussion to STAR, because of large statistics and overall homogeneity of STAR measurements (one detector) against previous experiments. We find that the matter produced at these energies is likely in fully chemical equilibrium, which is consistent with recent lattice QCD results. The possible improvements by partial chemical equilibrium ($\\gamma_S\

  16. Chemical reactions of ultracold alkali dimers in the lowest-energy $^3\\Sigma$ state

    CERN Document Server

    Tomza, Michał; Moszynski, Robert; Krems, Roman V

    2013-01-01

    We show that the interaction of polar alkali dimers in the quintet spin state leads to the formation of a deeply bound reaction complex. The reaction complex can decompose adiabatically into homonuclear alkali dimers (for all molecules except KRb) and into alkali trimers (for all molecules). We show that there are no barriers for these chemical reactions. This means that all alkali dimers in the $a^3\\Sigma^+$ state are chemically unstable at ultracold temperature, and the use of an optical lattice to segregate the molecules and suppress losses may be necessary. In addition, we calculate the minimum energy path for the chemical reactions of alkali hydrides. We find that the reaction of two molecules is accelerated by a strong attraction between the alkali atoms, leading to a barrierless process that produces hydrogen atoms with large kinetic energy. We discuss the unique features of the chemical reactions of ultracold alkali dimers in the $a^3\\Sigma^+$ electronic state.

  17. The chemical digestion of Ti6Al7Nb scaffolds produced by Selective Laser Melting reduces significantly ability of Pseudomonas aeruginosa to form biofilm.

    Science.gov (United States)

    Junka, Adam F; Szymczyk, Patrycja; Secewicz, Anna; Pawlak, Andrzej; Smutnicka, Danuta; Ziółkowski, Grzegorz; Bartoszewicz, Marzenna; Chlebus, Edward

    2016-01-01

    In our previous work we reported the impact of hydrofluoric and nitric acid used for chemical polishing of Ti-6Al-7Nb scaffolds on decrease of the number of Staphylococcus aureus biofilm forming cells. Herein, we tested impact of the aforementioned substances on biofilm of Gram-negative microorganism, Pseudomonas aeruginosa, dangerous pathogen responsible for plethora of implant-related infections. The Ti-6Al-7Nb scaffolds were manufactured using Selective Laser Melting method. Scaffolds were subjected to chemical polishing using a mixture of nitric acid and fluoride or left intact (control group). Pseudomonal biofilm was allowed to form on scaffolds for 24 hours and was removed by mechanical vortex shaking. The number of pseudomonal cells was estimated by means of quantitative culture and Scanning Electron Microscopy. The presence of nitric acid and fluoride on scaffold surfaces was assessed by means of IR and rentgen spetorscopy. Quantitative data were analysed using the Mann-Whitney test (P ≤ 0.05). Our results indicate that application of chemical polishing correlates with significant drop of biofilm-forming pseudomonal cells on the manufactured Ti-6Al-7Nb scaffolds ( p = 0.0133, Mann-Whitney test) compared to the number of biofilm-forming cells on non-polished scaffolds. As X-ray photoelectron spectroscopy revealed the presence of fluoride and nitrogen on the surface of scaffold, we speculate that drop of biofilm forming cells may be caused by biofilm-supressing activity of these two elements.

  18. The chemical digestion of Ti6Al7Nb scaffolds produced by Selective Laser Melting reduces significantly ability of Pseudomonas aeruginosa to form biofilm.

    Science.gov (United States)

    Junka, Adam F; Szymczyk, Patrycja; Secewicz, Anna; Pawlak, Andrzej; Smutnicka, Danuta; Ziółkowski, Grzegorz; Bartoszewicz, Marzenna; Chlebus, Edward

    2016-01-01

    In our previous work we reported the impact of hydrofluoric and nitric acid used for chemical polishing of Ti-6Al-7Nb scaffolds on decrease of the number of Staphylococcus aureus biofilm forming cells. Herein, we tested impact of the aforementioned substances on biofilm of Gram-negative microorganism, Pseudomonas aeruginosa, dangerous pathogen responsible for plethora of implant-related infections. The Ti-6Al-7Nb scaffolds were manufactured using Selective Laser Melting method. Scaffolds were subjected to chemical polishing using a mixture of nitric acid and fluoride or left intact (control group). Pseudomonal biofilm was allowed to form on scaffolds for 24 hours and was removed by mechanical vortex shaking. The number of pseudomonal cells was estimated by means of quantitative culture and Scanning Electron Microscopy. The presence of nitric acid and fluoride on scaffold surfaces was assessed by means of IR and rentgen spetorscopy. Quantitative data were analysed using the Mann-Whitney test (P ≤ 0.05). Our results indicate that application of chemical polishing correlates with significant drop of biofilm-forming pseudomonal cells on the manufactured Ti-6Al-7Nb scaffolds ( p = 0.0133, Mann-Whitney test) compared to the number of biofilm-forming cells on non-polished scaffolds. As X-ray photoelectron spectroscopy revealed the presence of fluoride and nitrogen on the surface of scaffold, we speculate that drop of biofilm forming cells may be caused by biofilm-supressing activity of these two elements. PMID:27150429

  19. Quarterly Progress Report for the Chemical and Energy Research Section of the Chemical Technology Division: July-September 1999

    Energy Technology Data Exchange (ETDEWEB)

    Jubin, R.T.

    2001-04-16

    This report summarizes the major activities conducted in the Chemical and Energy Research Section of the Chemical Technology Division at Oak Ridge National Laboratory (ORNL) during the period July-September 1999. The section conducts basic and applied research and development in chemical engineering, applied chemistry, and bioprocessing, with an emphasis on energy-driven technologies and advanced chemical separations for nuclear and waste applications. The report describes the various tasks performed within ten major areas of research: Hot Cell Operations, Process Chemistry, Molten Salt Reactor Experiment (MSRE) Remediation Studies, Chemistry Research, Physical Properties Research, Biochemical Engineering, Separations and Materials Synthesis, Fluid Structures and Properties, Biotechnology Research, and Molecular Studies. The name of a technical contact is included with each task described, and readers are encouraged to contact these individuals if they need additional information. Activities conducted within the area of the Cell Operations involved the testing of two continuously stirred tank reactors in series to evaluate the Savannah River-developed process of small-tank tetraphenylborate precipitation to remove cesium, strontium and transuranics from supernatant. Within the area of Process Chemistry, various topics related to solids formation in process solutions from caustic treatment of Hanford sludge were addressed. Saltcake dissolution efforts continued, including the development of a predictive algorithm. New initiatives for the section included modeling activities centered on detection of hydrogen in {sup 233}U storage wells and wax formation in petroleum mixtures, as well as support for the Spallation Neutron Source (investigation of transmutation products formed during operation). Other activities involved in situ grouting and evaluation of options for use (i.e., as castable shapes) of depleted uranium. In a continuation of activities of the preceding

  20. Energy-dependent existence of soliton in the synthesis of chemical elements

    OpenAIRE

    Iwata, Yoritaka

    2014-01-01

    Light chemical elements are, for instance, produced through ion collisions taking place in the core of stars, where fusion is particularly important to the synthesis of chemical elements. Meanwhile soliton provides non-interacting transparency leading to the hindrance of fusion cross section. In order to explain high fusion cross section actually observed in low incident energies, it is necessary to discover the suppression mechanism of soliton propagation. In this paper, based on a systemati...

  1. Development of the software for energy savings in chemical processes. 3

    Energy Technology Data Exchange (ETDEWEB)

    Cho, S.C.; Kim, K.I.; Park, J.K. [Korea Inst. of Energy Research, Taejon (Korea, Republic of)

    1995-12-01

    Chemical industry is the most energy consuming industry in the nation and the thermal separation processes such as distillation and drying are the major energy consuming processes. Especially, distillation processes consume about 40% of energy in chemical industry. Special interest in energy saving in thermal separation processes is necessary and a software to select appropriate technology is required. On the first year term of this project, energy saving technology was composed. A program for selecting adequate technology was developed based on the algorithm on the second year term of this project. On this year term of the project, soft-wares for optimizing thermal insulation thickness and optimal design of multi-effect mechanical vapor re-compression evaporator were developed. Also, methods to calculate efficiency of distillation feed preheater and optimize feed preheater were introduced. (author). 16 refs., 29 figs., 2 tabs.

  2. LIGNOCELLULOSIC FEEDSTOCK BIOREFINERY—THE FUTURE OF CHEMICAL AND ENERGY INDUSTRY

    Directory of Open Access Journals (Sweden)

    Shengdong Zhu

    2009-05-01

    Full Text Available The sustainable development of the chemical and energy industry is an indispensable component of our sustainable society. However, the traditional chemical and energy industry depends heavily on such non-renewable fossil resources as oil, coal, and natural gas. Its feedstock shortage and the resultant environmental and climatic problems pose a great threat for any type of sustainable development. Lignocellulosic materials are the most abundant renewable resources in the world and their efficient utilization provides a practical route to address these challenges. The lignocellulosic feedstock bio-refinery is an effective model for the comprehensive utilization of lignocellulosic materials, and it will play vital role in the future development of chemical and energy industry.

  3. Chemical control over the energy-level alignment in a two-terminal junction

    Science.gov (United States)

    Yuan, Li; Franco, Carlos; Crivillers, Núria; Mas-Torrent, Marta; Cao, Liang; Sangeeth, C. S. Suchand; Rovira, Concepció; Veciana, Jaume; Nijhuis, Christian A.

    2016-07-01

    The energy-level alignment of molecular transistors can be controlled by external gating to move molecular orbitals with respect to the Fermi levels of the source and drain electrodes. Two-terminal molecular tunnelling junctions, however, lack a gate electrode and suffer from Fermi-level pinning, making it difficult to control the energy-level alignment of the system. Here we report an enhancement of 2 orders of magnitude of the tunnelling current in a two-terminal junction via chemical molecular orbital control, changing chemically the molecular component between a stable radical and its non-radical form without altering the supramolecular structure of the junction. Our findings demonstrate that the energy-level alignment in self-assembled monolayer-based junctions can be regulated by purely chemical modifications, which seems an attractive alternative to control the electrical properties of two-terminal junctions.

  4. Chemical control over the energy-level alignment in a two-terminal junction

    Science.gov (United States)

    Yuan, Li; Franco, Carlos; Crivillers, Núria; Mas-Torrent, Marta; Cao, Liang; Sangeeth, C. S. Suchand; Rovira, Concepció; Veciana, Jaume; Nijhuis, Christian A.

    2016-01-01

    The energy-level alignment of molecular transistors can be controlled by external gating to move molecular orbitals with respect to the Fermi levels of the source and drain electrodes. Two-terminal molecular tunnelling junctions, however, lack a gate electrode and suffer from Fermi-level pinning, making it difficult to control the energy-level alignment of the system. Here we report an enhancement of 2 orders of magnitude of the tunnelling current in a two-terminal junction via chemical molecular orbital control, changing chemically the molecular component between a stable radical and its non-radical form without altering the supramolecular structure of the junction. Our findings demonstrate that the energy-level alignment in self-assembled monolayer-based junctions can be regulated by purely chemical modifications, which seems an attractive alternative to control the electrical properties of two-terminal junctions. PMID:27456200

  5. Degree of chemical nonequilibrium in central Au-Au collisions at RHIC energies

    Science.gov (United States)

    Tawfik, Abdel Nasser; El-Bakry, M. Y.; Habashy, D. M.; Mohamed, M. T.; Abbas, Ehab

    2015-08-01

    In this paper, we investigate the difference between hadron resonance gas (HRG) calculations for chemical freeze-out parameters at fully and partly chemical equilibria. To this end, the results are compared with the particle ratios measured in central Au-Au collisions at a wide range of nucleon-nucleon center-of-mass energies, √ {s{ NN}} = 7.7 - 200 GeV as offered by the STAR experiment. We restrict the discussion to STAR, because of large statistics and overall homogeneity of STAR measurements (one detector) against previous experiments. We find that the matter produced at these energies is likely in fully chemical equilibria, which is consistent with recent lattice quantum chromodynamics (QCD) results. The possible improvements by partial chemical equilibria (γS ≠ 1) are very limited. We also discuss these results with the ones deduced from ϕ/π- and Ω-/π- ratios. These hadron ratios are sensitive to the degree of chemical equilibrium. Accordingly, the conclusion that the matter produced reaches fully chemical equilibria in central Au-Au at relativistic heavy-ion collider (RHIC) energies is confirmed.

  6. Regional Differences in Muscle Energy Metabolism in Human Muscle by 31P-Chemical Shift Imaging.

    Science.gov (United States)

    Kime, Ryotaro; Kaneko, Yasuhisa; Hongo, Yoshinori; Ohno, Yusuke; Sakamoto, Ayumi; Katsumura, Toshihito

    2016-01-01

    Previous studies have reported significant region-dependent differences in the fiber-type composition of human skeletal muscle. It is therefore hypothesized that there is a difference between the deep and superficial parts of muscle energy metabolism during exercise. We hypothesized that the inorganic phosphate (Pi)/phosphocreatine (PCr) ratio of the superficial parts would be higher, compared with the deep parts, as the work rate increases, because the muscle fiber-type composition of the fast-type may be greater in the superficial parts compared with the deep parts. This study used two-dimensional 31Phosphorus Chemical Shift Imaging (31P-CSI) to detect differences between the deep and superficial parts of the human leg muscles during dynamic knee extension exercise. Six healthy men participated in this study (age 27±1 year, height 169.4±4.1 cm, weight 65.9±8.4 kg). The experiments were carried out with a 1.5-T superconducting magnet with a 5-in. diameter circular surface coil. The subjects performed dynamic one-legged knee extension exercise in the prone position, with the transmit-receive coil placed under the right quadriceps muscles in the magnet. The subjects pulled down an elastic rubber band attached to the ankle at a frequency of 0.25, 0.5 and 1 Hz for 320 s each. The intracellular pH (pHi) was calculated from the median chemical shift of the Pi peak relative to PCr. No significant difference in Pi/PCr was observed between the deep and the superficial parts of the quadriceps muscles at rest. The Pi/PCr of the superficial parts was not significantly increased with increasing work rate. Compared with the superficial areas, the Pi/PCr of the deep parts was significantly higher (p<0.05) at 1 Hz. The pHi showed no significant difference between the two parts. These results suggest that muscle oxidative metabolism is different between deep and superficial parts of quadriceps muscles during dynamic exercise. PMID:26782194

  7. Regional Differences in Muscle Energy Metabolism in Human Muscle by 31P-Chemical Shift Imaging.

    Science.gov (United States)

    Kime, Ryotaro; Kaneko, Yasuhisa; Hongo, Yoshinori; Ohno, Yusuke; Sakamoto, Ayumi; Katsumura, Toshihito

    2016-01-01

    Previous studies have reported significant region-dependent differences in the fiber-type composition of human skeletal muscle. It is therefore hypothesized that there is a difference between the deep and superficial parts of muscle energy metabolism during exercise. We hypothesized that the inorganic phosphate (Pi)/phosphocreatine (PCr) ratio of the superficial parts would be higher, compared with the deep parts, as the work rate increases, because the muscle fiber-type composition of the fast-type may be greater in the superficial parts compared with the deep parts. This study used two-dimensional 31Phosphorus Chemical Shift Imaging (31P-CSI) to detect differences between the deep and superficial parts of the human leg muscles during dynamic knee extension exercise. Six healthy men participated in this study (age 27±1 year, height 169.4±4.1 cm, weight 65.9±8.4 kg). The experiments were carried out with a 1.5-T superconducting magnet with a 5-in. diameter circular surface coil. The subjects performed dynamic one-legged knee extension exercise in the prone position, with the transmit-receive coil placed under the right quadriceps muscles in the magnet. The subjects pulled down an elastic rubber band attached to the ankle at a frequency of 0.25, 0.5 and 1 Hz for 320 s each. The intracellular pH (pHi) was calculated from the median chemical shift of the Pi peak relative to PCr. No significant difference in Pi/PCr was observed between the deep and the superficial parts of the quadriceps muscles at rest. The Pi/PCr of the superficial parts was not significantly increased with increasing work rate. Compared with the superficial areas, the Pi/PCr of the deep parts was significantly higher (p<0.05) at 1 Hz. The pHi showed no significant difference between the two parts. These results suggest that muscle oxidative metabolism is different between deep and superficial parts of quadriceps muscles during dynamic exercise.

  8. Simulating chemical energies to high precision with fully-scalable quantum algorithms on superconducting qubits

    Science.gov (United States)

    O'Malley, Peter; Babbush, Ryan; Kivlichan, Ian; Romero, Jhonathan; McClean, Jarrod; Tranter, Andrew; Barends, Rami; Kelly, Julian; Chen, Yu; Chen, Zijun; Jeffrey, Evan; Fowler, Austin; Megrant, Anthony; Mutus, Josh; Neill, Charles; Quintana, Christopher; Roushan, Pedram; Sank, Daniel; Vainsencher, Amit; Wenner, James; White, Theodore; Love, Peter; Aspuru-Guzik, Alan; Neven, Hartmut; Martinis, John

    Quantum simulations of molecules have the potential to calculate industrially-important chemical parameters beyond the reach of classical methods with relatively modest quantum resources. Recent years have seen dramatic progress both superconducting qubits and quantum chemistry algorithms. Here, we present experimental demonstrations of two fully-scalable algorithms for finding the dissociation energy of hydrogen: the variational quantum eigensolver and iterative phase estimation. This represents the first calculation of a dissociation energy to chemical accuracy with a non-precompiled algorithm. These results show the promise of chemistry as the ``killer app'' for quantum computers, even before the advent of full error-correction.

  9. Study on chemical equilibrium in nucleus-nucleus collisions at relativistic energies

    CERN Document Server

    Manninen, J; Keränen, A; Gazdzicki, M; Stock, R; Manninen, Jaakko; Becattini, Francesco; Keranen, Antti; Gazdzicki, Marek; Stock, Reinhard

    2004-01-01

    We present a detailed study of chemical freeze-out in nucleus-nucleus collisions at beam energies of 11.6, 30, 40, 80 and 158A GeV. By analyzing hadronic multiplicities within the statistical hadronization approach, we have studied the chemical equilibration of the system as a function of center of mass energy and of the parameters of the source. Additionally, we have tested and compared different versions of the statistical model, with special emphasis on possible explanations of the observed strangeness hadronic phase space under-saturation.

  10. First-principles calculation of core-level binding energy shift in surface chemical processes

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Combined with third generation synchrotron radiation light sources, X-ray photoelectron spectroscopy (XPS) with higher energy resolution, brilliance, enhanced surface sensitivity and photoemission cross section in real time found extensive applications in solid-gas interface chemistry. This paper reports the calculation of the core-level binding energy shifts (CLS) using the first-principles density functional theory. The interplay between the CLS calculations and XPS measurements to uncover the structures, adsorption sites and chemical reactions in complex surface chemical processes are highlight. Its application on clean low index (111) and vicinal transition metal surfaces, molecular adsorption in terms of sites and configuration, and reaction kinetics are domonstrated.

  11. An Energy Balance Model to Predict Chemical Partitioning in a Photosynthetic Microbial Mat

    Science.gov (United States)

    Hoehler, Tori M.; Albert, Daniel B.; DesMarais, David J.

    2006-01-01

    Studies of biosignature formation in photosynthetic microbial mat communities offer potentially useful insights with regards to both solar and extrasolar astrobiology. Biosignature formation in such systems results from the chemical transformation of photosynthetically fixed carbon by accessory microorganisms. This fixed carbon represents a source not only of reducing power, but also energy, to these organisms, so that chemical and energy budgets should be coupled. We tested this hypothesis by applying an energy balance model to predict the fate of photosynthetic productivity under dark, anoxic conditions. Fermentation of photosynthetically fixed carbon is taken to be the only source of energy available to cyanobacteria in the absence of light and oxygen, and nitrogen fixation is the principal energy demand. The alternate fate for fixed carbon is to build cyanobacterial biomass with Redfield C:N ratio. The model predicts that, under completely nitrogen-limited conditions, growth is optimized when 78% of fixed carbon stores are directed into fermentative energy generation, with the remainder allocated to growth. These predictions were compared to measurements made on microbial mats that are known to be both nitrogen-limited and populated by actively nitrogen-fixing cyanobacteria. In these mats, under dark, anoxic conditions, 82% of fixed carbon stores were diverted into fermentation. The close agreement between these independent approaches suggests that energy balance models may provide a quantitative means of predicting chemical partitioning within such systems - an important step towards understanding how biological productivity is ultimately partitioned into biosignature compounds.

  12. Free energy calculations, enhanced by a Gaussian ansatz, for the "chemical work" distribution.

    Science.gov (United States)

    Boulougouris, Georgios C

    2014-05-15

    The evaluation of the free energy is essential in molecular simulation because it is intimately related with the existence of multiphase equilibrium. Recently, it was demonstrated that it is possible to evaluate the Helmholtz free energy using a single statistical ensemble along an entire isotherm by accounting for the "chemical work" of transforming each molecule, from an interacting one, to an ideal gas. In this work, we show that it is possible to perform such a free energy perturbation over a liquid vapor phase transition. Furthermore, we investigate the link between a general free energy perturbation scheme and the novel nonequilibrium theories of Crook's and Jarzinsky. We find that for finite systems away from the thermodynamic limit the second law of thermodynamics will always be an inequality for isothermal free energy perturbations, resulting always to a dissipated work that may tend to zero only in the thermodynamic limit. The work, the heat, and the entropy produced during a thermodynamic free energy perturbation can be viewed in the context of the Crooks and Jarzinsky formalism, revealing that for a given value of the ensemble average of the "irreversible" work, the minimum entropy production corresponded to a Gaussian distribution for the histogram of the work. We propose the evaluation of the free energy difference in any free energy perturbation based scheme on the average irreversible "chemical work" minus the dissipated work that can be calculated from the variance of the distribution of the logarithm of the work histogram, within the Gaussian approximation. As a consequence, using the Gaussian ansatz for the distribution of the "chemical work," accurate estimates for the chemical potential and the free energy of the system can be performed using much shorter simulations and avoiding the necessity of sampling the computational costly tails of the "chemical work." For a more general free energy perturbation scheme that the Gaussian ansatz may not be

  13. Predicting the Digestible Energy of Rapeseed Meal from Its Chemical Composition in Growing-finishing Pigs

    Science.gov (United States)

    Zhang, T.; Liu, L.; Piao, X. S.

    2012-01-01

    Two experiments were conducted to establish a digestible energy (DE) content prediction model of rapeseed meal for growing-finishing pig based on rapeseed meal’s chemical composition. In experiment 1, observed linear relationships between the determined DE content of 22 rapeseed meal calibration samples and proximate nutrients, gross energy (GE) and neutral detergent fiber (NDF) were used to develop the DE prediction model. In experiment 2, 4 samples of rapeseed meal selected at random from the primary rapeseed growing regions of China were used for testing the accuracy of DE prediction models. The results indicated that the DE was negatively correlated with NDF (r = −0.86) and acid detergent fiber (ADF) (r = −0.73) contents, and moderately correlated with gross energy (GE; r = 0.56) content in rapeseed meal calibration samples. In contrast, no significant correlations were found for crude protein, ether extract, crude fiber and ash contents. According to the regression analysis, NDF or both NDF and GE were found to be useful for the DE prediction models. Two prediction models: DE = 16.775−0.147×NDF (R2 = 0.73) and DE = 11.848−0.131×NDF+0.231×GE (R2 = 0.76) were obtained. The maximum absolute difference between the in vivo DE determinations and the predicted DE values was 0.62 MJ/kg and the relative difference was 5.21%. Therefore, it was concluded that, for growing-finishing pigs, these two prediction models could be used to predict the DE content of rapeseed meal with acceptable accuracy. PMID:25049576

  14. Energy absorption and exposure buildup factors for some polymers and tissue substitute materials: photon energy, penetration depth and chemical composition dependence

    Energy Technology Data Exchange (ETDEWEB)

    Kurudirek, Murat; Oezdemir, Yueksel, E-mail: mkurudirek@gmail.com [Faculty of Science, Department of Physics, Ataturk University, 25240, Erzurum (Turkey)

    2011-03-01

    The gamma ray energy absorption and exposure buildup factors have been calculated by using the five parameter geometric progression (GP) fitting formula for some polymers and tissue substitute materials in the energy region 0.015-15 MeV up to a penetration depth of 40 mean free paths. From the results, it is worth noting that significant variations occur in gamma ray buildup factors for the given polymers and tissue substitute materials depending on photon energy, penetration depth and chemical composition of the materials. Also, it was observed that there are significant variations between energy absorption (EABF) and exposure (EBF) buildup factors which may be due to the variations in chemical composition of the materials used. Finally, it is expected that the presented buildup factor data may be helpful in (a) estimating the effective dose to be given to patients in radiation therapy and diagnostics, hence allowing corrections to be made to the intensity of radiation, as it is somewhat problematic to evaluate the real absorbed dose in critical organs due to the probability of photon buildup somewhere inside the medium; (b) estimating the health hazards arising from the exposure of the human body to radiation, thus it will be helpful in controlling the exposure of the human body to radiation.

  15. Energy Efficient Catalytic Activation of Hydrogen peroxide for Green Chemical Processes: Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Collins, Terrence J.; Horwitz, Colin

    2004-11-12

    A new, highly energy efficient approach for using catalytic oxidation chemistry in multiple fields of technology has been pursued. The new catalysts, called TAML® activators, catalyze the reactions of hydrogen peroxide and other oxidants for the exceptionally rapid decontamination of noninfectious simulants (B. atrophaeus) of anthrax spores, for the energy efficient decontamination of thiophosphate pesticides, for the facile, low temperature removal of color and organochlorines from pulp and paper mill effluent, for the bleaching of dyes from textile mill effluents, and for the removal of recalcitrant dibenzothiophene compounds from diesel and gasoline fuels. Highlights include the following: 1) A 7-log kill of Bacillus atrophaeus spores has been achieved unambiguously in water under ambient conditions within 15 minutes. 2) The rapid total degradation under ambient conditions of four thiophosphate pesticides and phosphonate degradation intermediates has been achieved on treatment with TAML/peroxide, opening up potential applications of the decontamination system for phosphonate structured chemical warfare agents, for inexpensive, easy to perform degradation of stored and aged pesticide stocks (especially in Africa and Asia), for remediation of polluted sites and water bodies, and for the destruction of chemical warfare agent stockpiles. 3) A mill trial conducted in a Pennsylvanian bleached kraft pulp mill has established that TAML catalyst injected into an alkaline peroxide bleach tower can significantly lower color from the effluent stream promising a new, more cost effective, energy-saving approach for color remediation adding further evidence of the value and diverse engineering capacity of the approach to other field trials conducted on effluent streams as they exit the bleach plant. 4) Dibenzothiophenes (DBTs), including 4,6-dimethyldibenzothiophene, the most recalcitrant sulfur compounds in diesel and gasoline, can be completely removed from model gasoline

  16. Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys

    Science.gov (United States)

    Zhang, Yanwen; Stocks, G. Malcolm; Jin, Ke; Lu, Chenyang; Bei, Hongbin; Sales, Brian C.; Wang, Lumin; Béland, Laurent K.; Stoller, Roger E.; Samolyuk, German D.; Caro, Magdalena; Caro, Alfredo; Weber, William J.

    2015-10-01

    A grand challenge in materials research is to understand complex electronic correlation and non-equilibrium atomic interactions, and how such intrinsic properties and dynamic processes affect energy transfer and defect evolution in irradiated materials. Here we report that chemical disorder, with an increasing number of principal elements and/or altered concentrations of specific elements, in single-phase concentrated solid solution alloys can lead to substantial reduction in electron mean free path and orders of magnitude decrease in electrical and thermal conductivity. The subsequently slow energy dissipation affects defect dynamics at the early stages, and consequentially may result in less deleterious defects. Suppressed damage accumulation with increasing chemical disorder from pure nickel to binary and to more complex quaternary solid solutions is observed. Understanding and controlling energy dissipation and defect dynamics by altering alloy complexity may pave the way for new design principles of radiation-tolerant structural alloys for energy applications.

  17. Semi-infinite jellium: Thermodynamic potential, chemical potential, and surface energy

    Science.gov (United States)

    Kostrobij, P. P.; Markovych, B. M.

    2015-08-01

    A general expression for the thermodynamic potential of the model of semi-infinite jellium is obtained. By using this expression, the surface energy for the infinite barrier model is calculated. The behavior of the surface energy and of the chemical potential as functions of the Wigner-Seitz radius and the influence of the Coulomb interaction between electrons on the calculated values is studied. It is shown that taking into account the Coulomb interaction between electrons leads to growth of the surface energy. The surface energy is positive in the entire area of the Wigner-Seitz radius. It is shown that taking into account the Coulomb interaction between electrons leads to a decrease of the chemical potential.

  18. Study on Industrial Integration Development of the Energy Chemical Industry in Urumqi-Changji-Shihezi Urban Agglomeration, Xinjiang, NW China

    Directory of Open Access Journals (Sweden)

    Guiling Wang

    2016-07-01

    Full Text Available With industrial integration accelerating in domestic and foreign enterprise, industrial integration is becoming the only way for regional development to break through its bottleneck. Compared with advanced foreign enterprises, there exists a significant gap in regional industrial integration, especially in the urban agglomeration of the energy chemical industries of Urumqi-Changji-Shihezi in Xinjiang. Findings from field visits and quantitative analysis show that the energy chemical industry in urban agglomeration is in a state of dispersed distribution, serious convergence in industrial structure, low level of specialization, and weak collaborative relationships. These issues seriously hamper the sustainable development of urban agglomeration. Specific actions aimed at these problems and the development bottleneck mainly include the integration of industrial parks in the central city and integration orientation on the level of urban agglomeration. Only by speeding up the pace of industry integration can Urumqi-Changji-Shihezi’s urban agglomeration maintain and improve its market competitiveness. Accordingly, it can promote innovation and sustainability in the energy chemical industry and improve the overall level of development.

  19. Supramolecular assembly of macroscopic building blocks through self-propelled locomotion by dissipating chemical energy.

    Science.gov (United States)

    Cheng, Mengjiao; Ju, Guannan; Zhang, Yingwei; Song, Mengmeng; Zhang, Yajun; Shi, Feng

    2014-10-15

    Chemical energy supplied by the catalytic decomposition of H2O2 is introduced into macroscopic building blocks, which self-propel, interact with each other, and finally assemble into ordered and advanced structures. The geometry is highly dependent on the way that the catalyst is loaded. The integration of catalyst and building block provides assembling component as well as its energy of motion. PMID:24838346

  20. Remarks on the chemical composition of highest-energy cosmic rays

    CERN Document Server

    Wilk, Grzegorz

    2011-01-01

    We present arguments aiming to reconcile the apparently contradictory results concerning the chemical composition of cosmic rays of highest energy, coming recently from Auger and HiRes collaborations. In particular, we argue that the energy dependence of the mean value and root mean square fluctuation of shower maxima distributions observed by the Auger experiment are not necessarily caused by the change of nuclear composition of primary cosmic rays.

  1. Effect of the chemical cycle on the energy use when producing sulfate pulp

    Energy Technology Data Exchange (ETDEWEB)

    Maripuu, M.

    1982-09-01

    The influence of the chemical cycle on the energy conservation of a sulfate pulp factory has been investigated. The problem concerning ballast (non-load running) is crucial. The operational problems of causticizing and lime reburning have been looked into. Energy use could be reduced by a closer control of ballast, which is difficult to calculate. Heavy losses are found to take place when plant operetions are interfered with.

  2. Chemical Distribution and Bonding of Lithium in Intercalated Graphite: Identification with Optimized Electron Energy Loss Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Y.; Wang, F.; Graetz, J.; Moreno, M.S.; Ma, C.; Wu, L.; Volkov, V.

    2011-02-01

    Direct mapping of the lithium spatial distribution and the chemical state provides critical information on structure-correlated lithium transport in electrode materials for lithium batteries. Nevertheless, probing lithium, the lightest solid element in the periodic table, poses an extreme challenge with traditional X-ray or electron scattering techniques due to its weak scattering power and vulnerability to radiation damage. Here, we report nanoscale maps of the lithium spatial distribution in electrochemically lithiated graphite using electron energy loss spectroscopy in the transmission electron microscope under optimized experimental conditions. The electronic structure of the discharged graphite was obtained from the near-edge fine structure of the Li and C K-edges and ab initio calculations. A 2.7 eV chemical shift of the Li K-edge, along with changes in the density of states, reveals the ionic nature of the intercalated lithium with significant charge transfer to the graphene sheets. Direct mapping of lithium in graphite revealed nanoscale inhomogeneities (nonstoichiometric regions), which are correlated with local phase separation and structural disorder (i.e., lattice distortion and dislocations) as observed by high-resolution transmission electron microscopy. The surface solid-electrolyte interphase (SEI) layer was also imaged and determined to have a thickness of 10-50 nm, covering both edge and basal planes with LiF as its primary inorganic component. The Li K-edge spectroscopy and mapping, combined with electron microscopy-based structural analysis provide a comprehensive view of the structure-correlated lithium intercalation in graphite and of the formation of the SEI layer.

  3. Chemical Distribution and Bonding of Lithium in Intercalated Graphite: Identification with Optimized Electron Energy Loss Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Feng [Brookhaven National Lab. (BNL), Upton, NY (United States); Graetz, Jason [Brookhaven National Lab. (BNL), Upton, NY (United States); Moreno, M. Sergio [Centro Atomico Bariloche (Argentina); Ma, Chao [Brookhaven National Lab. (BNL), Upton, NY (United States); Wu, Lijun [Brookhaven National Lab. (BNL), Upton, NY (United States); Volkov, Vyacheslav [Brookhaven National Lab. (BNL), Upton, NY (United States); Zhu, Yimei [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2011-01-10

    Direct mapping of the lithium spatial distribution and the chemical state provides critical information on structure-correlated lithium transport in electrode materials for lithium batteries. Nevertheless, probing lithium, the lightest solid element in the periodic table, poses an extreme challenge with traditional X-ray or electron scattering techniques due to its weak scattering power and vulnerability to radiation damage. Here, we report nanoscale maps of the lithium spatial distribution in electrochemically lithiated graphite using electron energy loss spectroscopy in the transmission electron microscope under optimized experimental conditions. The electronic structure of the discharged graphite was obtained from the near-edge fine structure of the Li and C K-edges and ab initio calculations. A 2.7 eV chemical shift of the Li K-edge, along with changes in the density of states, reveals the ionic nature of the intercalated lithium with significant charge transfer to the graphene sheets. Direct mapping of lithium in graphite revealed nanoscale inhomogeneities (nonstoichiometric regions), which are correlated with local phase separation and structural disorder (i.e., lattice distortion and dislocations) as observed by high-resolution transmission electron microscopy. The surface solid-electrolyte interphase (SEI) layer was also imaged and determined to have a thickness of 10-50 nm, covering both edge and basal planes with LiF as its primary inorganic component. The Li K-edge spectroscopy and mapping, combined with electron microscopy-based structural analysis provide a comprehensive view of the structure-correlated lithium intercalation in graphite and of the formation of the SEI layer.

  4. Comparison of Chemical and Microbiological Parameters of Charcoal Versus Gas and Solar Energy Treated Milk

    Directory of Open Access Journals (Sweden)

    Mohamed Osman Mohamed Abdalla

    2010-09-01

    Full Text Available The effect of heat treatment using different sources of heat on the chemical composition and microbial quality of milk was studied. Raw cow, goat and sheep milk were heated with charcoal, gas and solar energy at 99ºC for 12 min, cooled to 20ºC and chemical (fat, protein, total solids, ash (titratable acidity, vitamin C composition as well as microbiological examination (total viable bacteria count were carried out. Results showed that fat, total solids and ash contents w ere high in cow milk heated with solar energy, while protein content was high when milk was heated with gas, and the titratable acidity was high in milk heated with charcoal and gas. The fat, total solids and ash contents of goat milk w ere high when milk was heated with gas, while the protein content and titratable acidity were high when milk was heated with solar energy. The fat contents of sheep milk was high when milk was heated with gas, while the protein and total solids content were high in milk heated with solar energy, and ash content and titratable acidity were high in milk heated with charcoal. Vitamin C content was high for all milks when heated with solar energy, while the total viable bacteria count was high in milks of all species when heated with charcoal. Solar energy was shown to be suitable for heating milk from chemical view point, while heat treatment of milk with gas was found to be better microbiologically.

  5. INFLUENCE OF TORREFACTION ON SOME CHEMICAL AND ENERGY PROPERTIES OF MARITIME PINE AND PEDUNCULATE OAK

    Directory of Open Access Journals (Sweden)

    Floran Pierre

    2011-04-01

    Full Text Available This study investigated the influence of heat treatment on the chemical composition and energy properties of maritime pine (Pinus pinaster and pedunculate oak (Quercus robur. Samples were treated in a new experimental device at 220, 250, or 280 °C for 1 or 5 hours. Chemical and energy analyses were performed using standard methods. Our results clearly demonstrated an increased degradation of the material due to the combined effects of temperature and treatment duration. This mass loss was basically due to degradation of acid-soluble materials. The energy analysis showed that the fixed carbon content and higher heating value increased, for both species, whereas the volatile matter content decreased with increased extent of treatment (cumulated effects of temperature and time. In the range of temperature and duration studied here, the dimensionless energy properties for both species obeyed the same functions of overall mass loss. The relationships obtained allow quantification of the increase in wood energy concentration due to torrefaction. Mass loss is an excellent indicator of treatment extent. Analytical expressions allowing the prediction of energy and chemical properties as a function of overall mass loss, within the range of treatment extents studied here, are provided.

  6. On Extraction of Chemical Potentials of Quarks from Particle Transverse Momentum Spectra in High Energy Collisions

    Directory of Open Access Journals (Sweden)

    Hong Zhao

    2015-01-01

    Full Text Available We present two methods to extract the chemical potentials of quarks in high energy collisions. The first method is based on the ratios of negatively/positively charged particles, and the temperatures extracted from the transverse momentum spectra of related hadrons are needed. The second method is based on the chemical potentials of some particles, and we also need the transverse momentum spectra of related hadrons. To extract the quark chemical potentials, we would like to propose experimental collaborations to measure simultaneously not only the transverse momentum spectra of p-, p, K-, K+, π-, and π+, but also those of D-, D+, B-, and B+ (even those of Δ++, Δ-, and Ω- in high energy nuclear collisions.

  7. On Extraction of Chemical Potentials of Quarks from Particle Transverse Momentum Spectra in High Energy Collisions

    CERN Document Server

    Zhao, Hong

    2015-01-01

    We present two methods to extract the chemical potentials of quarks in high energy collisions. The first method is based on the ratios of negatively/positively charged particles, and the temperatures extracted from the transverse momentum spectra of related hadrons are needed. The second method is based on the chemical potentials of some particles, and we also need the transverse momentum spectra of related hadrons. To extract the quark chemical potentials, we would like to propose experimental collaborations to measure simultaneously not only the transverse momentum spectra of anti-p, p, K^-, K^+, pion^-, and pion^+, but also those of D^-, D^+, B^-, and B^+ (even those of Delta^++, Delta^-, and Omega^-) in high energy nuclear collisions

  8. Accelerating chemical reactions: Exploring reactive free-energy surfaces using accelerated ab initio molecular dynamics

    Science.gov (United States)

    Pierce, Levi C. T.; Markwick, Phineus R. L.; McCammon, J. Andrew; Doltsinis, Nikos L.

    2011-01-01

    A biased potential molecular dynamics simulation approach, accelerated molecular dynamics (AMD), has been implemented in the framework of ab initio molecular dynamics for the study of chemical reactions. Using two examples, the double proton transfer reaction in formic acid dimer and the hypothetical adiabatic ring opening and subsequent rearrangement reactions in methylenecyclopropane, it is demonstrated that ab initio AMD can be readily employed to efficiently explore the reactive potential energy surface, allowing the prediction of chemical reactions and the identification of metastable states. An adaptive variant of the AMD method is developed, which additionally affords an accurate representation of both the free-energy surface and the mechanism associated with the chemical reaction of interest and can also provide an estimate of the reaction rate. PMID:21548673

  9. Hospital ventilation standards and energy conservation: chemical contamination of hospital air. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Rainer, D.; Michaelsen, G.S.

    1980-03-01

    In an era of increasing energy conservation consciousness, a critical reassessment of the validity of hospital ventilation and thermal standards is made. If current standards are found to be excessively conservative, major energy conservation measures could be undertaken by rebalancing and/or modification of current HVAC systems. To establish whether or not reducing ventilation rates would increase airborne chemical contamination to unacceptable levels, a field survey was conducted to develop an inventory and dosage estimates of hospital generated airborne chemical contaminants to which patients, staff, and visitors are exposed. The results of the study are presented. Emphasis is on patient exposure, but an examination of occupational exposure was also made. An in-depth assessment of the laboratory air environment is documented. Housekeeping products used in survey hospitals, hazardous properties of housekeeping chemicals and probable product composition are discussed in the appendices.

  10. A Simple Method to Calculate the Temperature Dependence of the Gibbs Energy and Chemical Equilibrium Constants

    Science.gov (United States)

    Vargas, Francisco M.

    2014-01-01

    The temperature dependence of the Gibbs energy and important quantities such as Henry's law constants, activity coefficients, and chemical equilibrium constants is usually calculated by using the Gibbs-Helmholtz equation. Although, this is a well-known approach and traditionally covered as part of any physical chemistry course, the required…

  11. Lorentz invariance violation and chemical composition of ultra high energy cosmic rays

    Energy Technology Data Exchange (ETDEWEB)

    Saveliev, Andrey; Sigl, Guenter [Universitaet Hamburg, II. Institut fuer Theoretische Physik, Hamburg (Germany); Maccione, Luca [Ludwig-Maximilians-Universitaet, Fakultaet fuer Physik, Muenchen (Germany); Max-Planck-Institut fuer Physik, Werner-Heisenberg-Institut, Muenchen (Germany)

    2012-07-01

    After a general introduction to Lorentz Invariance Violation (LIV) we present constraints on Planck scale suppressed Lorentz breaking terms coming from the comparison between theoretical predictions and current observations of ultra high energy cosmic rays (UHECR). Finally, we discuss further prospects and future developments in the topic, focusing in particular on the possible impact on the chemical composition of UHECRs.

  12. Effectiveness of Conceptual Change Text-Oriented Instruction on Students' Understanding of Energy in Chemical Reactions

    Science.gov (United States)

    Tastan, Ozgecan; Yalcinkaya, Eylem; Boz, Yezdan

    2008-01-01

    The aim of this study is to compare the effectiveness of conceptual change text instruction (CCT) in the context of energy in chemical reactions. The subjects of the study were 60, 10th grade students at a high school, who were in two different classes and taught by the same teacher. One of the classes was randomly selected as the experimental…

  13. 75 FR 11938 - Chart Energy and Chemicals, Inc., La Crosse, WI; Notice of Termination of Investigation

    Science.gov (United States)

    2010-03-12

    ... From the Federal Register Online via the Government Publishing Office DEPARTMENT OF LABOR Employment and Training Administration Chart Energy and Chemicals, Inc., La Crosse, WI; Notice of Termination of Investigation Pursuant to Section 223 of the Trade Act of 1974, as amended, an investigation was initiated in response to a petition filed...

  14. The Effective Concepts on Students' Understanding of Chemical Reactions and Energy

    Science.gov (United States)

    Ayyildiz, Yildizay; Tarhan, Leman

    2012-01-01

    The purpose of this study was to determine the relationship between the basic concepts related to the unit of "Chemical Reactions and Energy" and the sub-concepts underlying for meaningful learning of the unit and to investigate the effectiveness of them on students' learning achievements. For this purpose, the basic concepts of the unit were…

  15. EVALUATING THE ENVIRONMENTAL FRIENDLINESS, ECONOMICS, AND ENERGY EFFICIENCY OF CHEMICAL PROCESSES: HEAT INTEGRATION

    Science.gov (United States)

    The design and improvement of chemical processes can be very challenging. The earlier energy conservation, process economics and environmental aspects are incorporated into the process development, the easier and less expensive it is to alter the process design. In this work diff...

  16. Atomic-scale chemical quantification of oxide interfaces using energy-dispersive X-ray spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Ping; Van Benthem, Mark [Sandia National Laboratories, P.O. Box 5800, MS 1411, Albuquerque, New Mexico 87185-1411 (United States); Xiong, Jie; Jia, Quanxi [Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

    2013-04-29

    Atomic-scale quantification of chemical composition across oxide interfaces is important for understanding physical properties of epitaxial oxide nanostructures. Energy-dispersive X-ray spectroscopy (EDS) in an aberration-corrected scanning transmission electron microscope was used to quantify chemical composition across the interface of ferromagnetic La{sub 0.7}Sr{sub 0.3}MnO{sub 3} and antiferromagnetic BiFeO{sub 3} quantum structure. This research demonstrates that chemical composition at atomic columns can be quantified by Gaussian peak-fitting of EDS compositional profiles across the interface. Cation diffusion was observed at both A- and B-sublattice sites; and asymmetric chemical profiles exist across the interface, consistent with the previous studies.

  17. Search with the ATLAS detector for new physics with significant missing transverse energy and two isolated leptons

    Indian Academy of Sciences (India)

    João Firmino Da Costa; on behalf of the ATLAS Collaboration

    2012-11-01

    Results of searches for supersymmetry in events with significant missing transverse energy and two isolated leptons with the ATLAS experiment at the LHC are presented. Three analyses are presented here, the first two are analyses with leptons of opposite charge and same charge, respectively. The third one is an analysis that searches for an excess of same-flavour oppositecharge lepton pairs over those of different-flavour. Data corresponding to an integrated luminosity of 1 fb-1 are analysed.

  18. FEARCF a multidimensional free energy method for investigating conformational landscapes and chemical reaction mechanisms

    Institute of Scientific and Technical Information of China (English)

    NAIDOO Kevin J.

    2012-01-01

    The development and implementation of a computational method able to produce free energies in multiple dimensions,descriptively named the free energies from adaptive reaction coordinate forces (FEARCF) method is described in this paper.While the method can be used to calculate free energies of association,conformation and reactivity here it is shown in the context of chemical reaction landscapes.A reaction free energy surface for the Claisen rearrangement of chorismate to prephenate is used as an illustration of the method's efficient convergence.FEARCF simulations are shown to achieve fiat histograms for complex multidimensional free energy volumes.The sampling efficiency by which it produces multidimensional free energies is demonstrated on the complex puckering of a pyranose ring,that is described by a three dimensional W(θ1,θ2,θ3) potential of mean force.

  19. Benzylammonium Thermometer Ions: Internal Energies of Ions Formed by Low Temperature Plasma and Atmospheric Pressure Chemical Ionization

    Science.gov (United States)

    Stephens, Edward R.; Dumlao, Morphy; Xiao, Dan; Zhang, Daming; Donald, William A.

    2015-12-01

    The extent of internal energy deposition upon ion formation by low temperature plasma and atmospheric pressure chemical ionization was investigated using novel benzylammonium thermometer ions. C-N heterolytic bond dissociation enthalpies of nine 4-substituted benzylammoniums were calculated using CAM-B3LYP/6-311++G(d,p), which was significantly more accurate than B3LYP/6-311++G(d,p), MP2/6-311++G(d,p), and CBS-QB3 for calculating the enthalpies of 20 heterolytic dissociation reactions that were used to benchmark theory. All 4-substituted benzylammonium thermometer ions fragmented by a single pathway with comparable dissociation entropies, except 4-nitrobenzylammonium. Overall, the extent of energy deposition into ions formed by low temperature plasma was significantly lower than those formed by atmospheric pressure chemical ionization under these conditions. Because benzylamines are volatile, this new suite of thermometer ions should be useful for investigating the extent of internal energy deposition during ion formation for a wide range of ionization methods, including plasma, spray and laser desorption-based techniques.

  20. Benzylammonium Thermometer Ions: Internal Energies of Ions Formed by Low Temperature Plasma and Atmospheric Pressure Chemical Ionization.

    Science.gov (United States)

    Stephens, Edward R; Dumlao, Morphy; Xiao, Dan; Zhang, Daming; Donald, William A

    2015-12-01

    The extent of internal energy deposition upon ion formation by low temperature plasma and atmospheric pressure chemical ionization was investigated using novel benzylammonium thermometer ions. C-N heterolytic bond dissociation enthalpies of nine 4-substituted benzylammoniums were calculated using CAM-B3LYP/6-311++G(d,p), which was significantly more accurate than B3LYP/6-311++G(d,p), MP2/6-311++G(d,p), and CBS-QB3 for calculating the enthalpies of 20 heterolytic dissociation reactions that were used to benchmark theory. All 4-substituted benzylammonium thermometer ions fragmented by a single pathway with comparable dissociation entropies, except 4-nitrobenzylammonium. Overall, the extent of energy deposition into ions formed by low temperature plasma was significantly lower than those formed by atmospheric pressure chemical ionization under these conditions. Because benzylamines are volatile, this new suite of thermometer ions should be useful for investigating the extent of internal energy deposition during ion formation for a wide range of ionization methods, including plasma, spray and laser desorption-based techniques. Graphical Abstract ᅟ.

  1. Quarterly progress report for the Chemical and Energy Research Section of the Chemical Technology Division: January-March 1999

    Energy Technology Data Exchange (ETDEWEB)

    Jubin, R.T.

    1999-11-01

    This reports summarizes the major activities conducted in the Chemical and Energy Research Section of the Chemical Technology Division at Oak Ridge National Laboratory (ORNL) during the period January--March 1999. The section conducts basic and applied research and development in chemical engineering, applied chemistry, and bioprocessing, with an emphasis on energy-driven technologies and advanced chemical separations for nuclear and waste applications. The report describes the various tasks performed within eight major areas of research: Hot Cell Operations, Process Chemistry and Thermodynamics, Molten Salt Reactor Experiment (MSRE) Remediation Studies, Chemistry Research, Separations and Materials Synthesis, Fluid Structure and Properties, Biotechnology Research, and Molecular Studies. The name of a technical contact is included with each task described, and readers are encouraged to contact these individuals if they need additional information. Activities conducted within the area of Hot Cell Operations included column loading of cesium from Melton Valley Storage Tank supematants using an engineered form of crystalline silicotitanate. A second task was to design and construct a continuously stirred tank reactor system to test the Savannah River-developed process of small-tank tetraphenylborate precipitation to remove cesium, strontium, and transuranics from supematant. Within the area of Process Chemistry and Thermodynamics, the problem of solids formation in process solutions from caustic treatment of Hanford sludge was addressed, including issues such as pipeline plugging and viscosity measurements. Investigation of solution conditions required to dissolve Hanford saltcake was also continued. MSRE Remediation Studies focused on recovery of {sup 233}U and its transformation into a stable oxide and radiolysis experiments to permit remediation of MSRE fuel salt. In the area of Chemistry Research, activities included studies relative to molecular imprinting for

  2. Chemical Potential and the Nature of the Dark Energy: The case of phantom

    CERN Document Server

    Lima, J A S

    2008-01-01

    The influence of a possible non zero chemical potential $\\mu$ on the nature of dark energy is investigated by assuming that the dark energy is a relativistic perfect simple fluid obeying the equation of state (EoS), $p=\\omega \\rho$ ($\\omega 0$, the $\\omega$-parameter must be greater than -1 (vacuum is forbidden) while for $\\mu 0$ are permmited only if $-1 < \\omega < -1/2$. The thermodynamics and statistical arguments constrain the EoS parameter to be $\\omega < -1/2$, a result surprisingly close to the maximal value required to accelerate a FRW type universe dominated by matter and dark energy ($\\omega \\lesssim -10/21$).

  3. Energy considerations for steam plasma gasification of black liquor and chemical recovery

    Energy Technology Data Exchange (ETDEWEB)

    Grandy, J.D.; Kong, P.C.

    1995-10-01

    This paper investigates the energy economics of using a hybrid steam plasma process to gasify black liquor. In the pulp and paper industry, gasification is gaining credibility as an incremental method to supplement the standard Kraft process, which bums the black liquor in large furnaces to recover energy and inorganic chemicals (sodium and sulfur) that are recycled back into the wood pulping process. This paper shows that despite the energy intensive nature of steam plasma processing, several fortuitous conditions arise that make it a viable technology for the gasification of black liquor.

  4. Number concentration and chemical composition of ultrafine and nanoparticles from WTE (waste to energy) plants.

    Science.gov (United States)

    Cernuschi, Stefano; Giugliano, Michele; Ozgen, Senem; Consonni, Stefano

    2012-03-15

    Stack field testing at four municipal waste-to-energy (WTE) plants was conducted to investigate total number concentrations and size distributions in a size range extended towards the evaluation of ultrafine (UFP) and nanoparticle (NP) fractions with diameters smaller than 100nm and 50nm, respectively. Measurements were performed with a specifically designed sampling line, equipped with a dilution system and a particle counting device for measuring both primary particles in raw flue gases at stack conditions and the contributions of condensable origin, arising from their cooling and dilution immediately following stack release into the atmosphere. Average concentration levels detected ranged between 5×10(3)-6×10(5)cm(-3): for all sampling conditions, ultrafine fractions largely prevailed in number size distributions, with average diameters constantly located in the nanoparticle size range. Stack concentrations appeared to be influenced by the design and process configuration of flue gas cleaning systems, with most significant effects related to the presence of wet scrubbing units and the baghouse operating temperature of dry removal processes. Chemical speciation (i.e., trace metals, anions and cations, carbonaceous compounds) of size-resolved particulate fractions was performed on one of the plants. NP and UFP composition was essentially in accordance with the most important fuel and combustion process characteristics: in particular, the presence of chlorides and metal species was consistent with the respective waste feed content and their expected behavior during combustion and flue gas cleaning processes. PMID:22326138

  5. Prediction of apparent metabolisable energy content of cereal grains and by-products for poultry from its chemical composition

    Directory of Open Access Journals (Sweden)

    Beatriz Losada

    2015-06-01

    Full Text Available In order to predict the metabolisable energy content of ninety batches of cereal grains and cereal by-products for poultry, regression models derived from different sample aggregations and using chemical components as independent variables were compared. Several statistics have been calculated to estimate the error of prediction. The results indicate that the highest levels of significance and coefficients of determination were obtained for equations derived from the larger data sets. However, the lowest prediction errors were associated to equations calculated for data or groups of data closer to the ingredient ­studied.

  6. Energy-dependent existence of soliton in the synthesis of chemical elements

    Science.gov (United States)

    Iwata, Yoritaka

    2015-05-01

    Light chemical elements are, for instance, produced through ion collisions taking place in the core of stars, where fusion is particularly important to the synthesis of chemical elements. Meanwhile soliton provides transparency leading to the hindrance of fusion cross-section. In order to explain high fusion cross-section actually observed in low incident energies, it is necessary to discover the suppression mechanism of soliton propagation. In this paper, based on a systematic three-dimensional time-dependent density functional calculation, the existence of soliton is examined for ion collisions with some incident energies, impact parameters, and nuclear force parameter sets. As a result, solitons are suggested to exist highly depending on the energy. The suppression of soliton is consequently due to the spin-orbit force and the momentum-dependent components of the nuclear force.

  7. Energy-dependent existence of soliton in the synthesis of chemical elements

    CERN Document Server

    Iwata, Yoritaka

    2014-01-01

    Light chemical elements are, for instance, produced through ion collisions taking place in the core of stars, where fusion is particularly important to the synthesis of chemical elements. Meanwhile soliton provides non-interacting transparency leading to the hindrance of fusion cross section. In order to explain high fusion cross section actually observed in low incident energies, it is necessary to discover the suppression mechanism of soliton propagation. In this paper, based on a systematic three-dimensional time-dependent density functional calculation, the existence of soliton is examined for ion collisions with some incident energies, impact parameters, and nuclear force parameter sets. As a result solitons are suggested to exist highly depending on the energy. The suppression of soliton is consequently due to the spin-orbit force and the momentum-dependent components of the nuclear force.

  8. Excitation of the aromatic infrared emission bands: Chemical energy in hydrogenated amorphous carbon particles?

    CERN Document Server

    Duley, Walter W

    2011-01-01

    We outline a model for the heating of hydrogenated amorphous (HAC) dust via the release of stored chemical energy and show that this energy (~12 kJ/mole) is sufficient to heat dust grains of classical size (50-1000 {\\AA}) to temperatures at which they can emit at 3.3 {\\mu}m and other "UIR" wavelengths. Using laboratory data, we show that this heating process is consistent with a concentration of a few percent of dangling bonds in HAC and may be initiated by the recombination of trapped H atoms. We suggest that the release of chemical energy from dust represents an additional source of excitation for the UIR bands relaxing the previous requirement that only stochastically heated molecules having fewer than ~ 50 atoms can produce emission at 3.3 {\\mu}m.

  9. Replacement of chemical intensive water treatment processes with energy saving membrane. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Mickley, M.C.; Goering, S.W.

    1983-11-01

    The project investigated the use of charged ultrafiltration membranes to treat hard water. More specifically, the work was undertaken to (1) make charged ultrafiltration membranes to demonstrate the technical feasibility of the chemical grafting approach; (2) evaluate the market potential for charged ultrafiltration membranes; and (3) evaluate the cost and energy savings for using charged ultrafiltration as compared to lime-based clarification and other treatment methods. The results suggest that chemical grafting is a relatively simple, reproducible and low-cost way to modify existing substrate materials to give them enhanced transport performance. Process studies lead to the identification of good market potential for membrane processes using charged ultrafiltration membranes. Capital and operating costs relative to lime-based clarification are favorable for low- and medium-sized treatment plants. Finally, substantial energy savings are apparent as compared to lime-based precipitation systems which incur substantial energy consumption in the lime production and transportation steps.

  10. Structure, topology and chemical order in Ge-As-Te glasses: a high-energy x-ray diffraction study

    Energy Technology Data Exchange (ETDEWEB)

    Sen, S; Soyer Uzun, S [Department of Chemical Engineering and Materials Science, University of California at Davis, Davis, CA 95616 (United States); Benmore, C J [Argonne National Laboratory, Argonne, IL 60439 (United States); Aitken, B G [Glass Research Division, Corning Incorporated, Corning, NY 14831 (United States)

    2010-10-13

    High-energy x-ray diffraction is employed to study the atomic structure of bulk Ge{sub x}As{sub 2x}Te{sub 100-3x} glasses with compositions in the range 25 {<=} 3x {<=} 70. The coordination environments of Te atoms suggest significant violation of chemical order in these glasses. Analyses of the nearest-neighbor coordination environments and the parameters for the first sharp diffraction peak indicate that these telluride glasses are structurally and chemically more disordered as compared with their sulfide or selenide analogs. The compositional evolution of the structural parameters is shown to be consistent with the corresponding variation in molar volume and glass transition temperature.

  11. Absolute Hydration Free Energies of Ions, Ion-Water Clusters, and Quasi-chemical Theory

    CERN Document Server

    Asthagiri, D; Ashbaugh, H S; Pratt, Lawrence R.

    2003-01-01

    Experimental studies on ion-water clusters have provided insights into the microscopic aspects of hydration phenomena. One common view is that extending those experimental studies to larger cluster sizes would give the single ion absolute hydration free energies not obtainable by classical thermodynamic methods. This issue is reanalyzed in the context of recent computations and molecular theories on ion hydration, particularly considering the hydration of H$^+$, Li$^+$, Na$^+$, and HO$^-$ ions and thence the hydration of neutral ion pairs. The hydration free energies of neutral pairs computed here are in good agreement with experimental results, whereas the calculated absolute hydration free energies, and the excess chemical potentials, deviate consistently from some recently tabulated hydration free energies based on ion-water cluster data. We show how the single ion absolute hydration free energies are not separated from the potential of the phase in recent analyses of ion-water cluster data, even in the li...

  12. Chemical interactions by low-energy electron-induced x-ray emission spectroscopy, LEXES

    CERN Document Server

    Bonnelle, C

    2002-01-01

    The possibilities presented by low-energy electron-induced x-ray emission spectroscopy to study chemical interactions in solids are discussed. Examples of change observed for the emissions between core levels as a function of the chemical environment of the emitting atoms are given. By comparing the partial densities of the valence states associated to each type of atoms in the compound, it is shown that the strength of the metal-ligand interactions can be obtained. Information on the charge densities around each type of atoms can be deduced. Application to the study of the interactions at the atomic scale to solid-solid interfaces is presented. (author)

  13. Measurement of discrete energy-level spectra in individual chemically synthesized gold nanoparticles

    DEFF Research Database (Denmark)

    Kuemmeth, Ferdinand; Bolotin, Kirill I; Shi, Su-Fei;

    2008-01-01

    We form single-electron transistors from individual chemically synthesized gold nanoparticles, 5-15 nm in diameter, with monolayers of organic molecules serving as tunnel barriers. These devices allow us to measure the discrete electronic energy levels of individual gold nanoparticles that are, by...... virtue of chemical synthesis, well-defined in their composition, size and shape. We show that the nanoparticles are nonmagnetic and have spectra in good accord with random-matrix-theory predictions taking into account strong spin-orbit coupling....

  14. Conventional Quantum Chemical Correlation Energy versus Density-Functional Correlation Energy

    OpenAIRE

    Gross, E.K.U.; Petersilka, M.; Grabo, T.

    1995-01-01

    We analyze the difference between the correlation energy as defined within the conventional quantum chemistry framework and its namesake in density-functional theory. Both quantities are rigorously defined concepts; one finds that $E_c^{QC} \\geq E_c^{DFT}$. We give numerical and analytical arguments suggesting that the numerical difference between the two rigorous quantities is small. Finally, approximate density functional correlation energies resulting from some popular correlation energy f...

  15. Conventional quantum chemical correlation energy versus density-functional correlation energy

    CERN Document Server

    Gross, Eberhard K U; Grabo, T

    1995-01-01

    We analyze the difference between the correlation energy as defined within the conventional quantum chemistry framework and its namesake in density-functional theory. Both quantities are rigorously defined concepts; one finds that E_c^{QC} \\geq E_c^{DFT}. We give numerical and analytical arguments suggesting that the numerical difference between the two rigorous quantities is small. Finally, approximate density functional correlation energies resulting from some popular correlation energy functionals are compared with the conventional quantum chemistry values.

  16. Energy and system size dependence of chemical freeze-out in relativistic nuclear collisions

    CERN Document Server

    Becattini, F; Manninen, J

    2006-01-01

    We present a detailed study of chemical freeze-out in p-p, C-C, Si-Si and Pb-Pb collisions at beam momenta of 158A GeV as well as Pb-Pb collisions at beam momenta of 20A, 30A, 40A and 80A GeV. By analyzing hadronic multiplicities within the statistical hadronization model, we have studied the parameters of the source as a function of the number of the participating nucleons and the beam energy. We observe a nice smooth behaviour of temperature, baryon chemical potential and strangeness under-saturation parameter as a function of energy and nucleus size. Interpolating formulas are provided which allow to predict the chemical freeze-out parameters in central collisions at centre-of-mass energies > 4.5 GeV and for any colliding ions. Specific discrepancies between data and model emerge in particle ratios in Pb-Pb collisions at SPS between 20A and 40A GeV of beam energy which cannot be accounted for in the considered model schemes.

  17. Energy and Centrality Dependence of Chemical Freeze-out Thermodynamics parameters

    CERN Document Server

    Yu, N; Wu, K

    2014-01-01

    Driven by Beam Energy Scan (BES) program at RHIC, researches and discussions on the QCD phase diagram have flourished recently. In order to provide a reference from the microscopic transport model, we performed a systematic analysis, using a multiphase transport (AMPT) model for the particle yields and a statistical model (THERMUS) for the thermal fit, for Au+Au collisions at $\\sqrt{s_{NN}}$=7.7-200 GeV. It is found that at a fixed collision centrality the chemical freeze-out parameter, temperature $T_{ch}$ increases with collision energy and somehow saturate at certain value of $T_{ch}$ in collisions near $\\sqrt{s_{NN}}$=10 GeV indicating the limiting temperature in hadronic interactions, meanwhile baryon chemical potential $\\mu_B$ decrease with energy. The saturation temperature is also found to be dependent on the partonic interaction. At a given collision energy, it is found that both the temperature and baryon chemical potential decrease towards more peripheral collisions in the grand canonical approach....

  18. Energy surface, chemical potentials, Kohn-Sham energies in spin-polarized density functional theory

    CERN Document Server

    Gal, T

    2009-01-01

    On the basis of the zero-temperature grand canonical ensemble generalization of the energy E[N,Ns,v,B] for fractional particle N and spin Ns numbers, the energy surface over the (N,Ns) plane is displayed and analyzed in the case of homogeneous external magnetic fields B(r). The (negative of the) left/right-side derivatives of the energy with respect to N, N_up, and N_down give the fixed-Ns, spin-up, and spin-down ionization potentials/electron affinities, respectively, while the derivative of E[N,Ns,v,B] with respect to Ns gives (signed) half excitation energies to states with Ns greater by 2. The highest occupied and lowest unoccupied Kohn-Sham spin-orbital energies are identified as the corresponding spin-up and spin-down ionization potentials and electron affinities.

  19. Significantly enhanced energy output from 3D ordered macroporous structured Fe2O3/Al nanothermite film.

    Science.gov (United States)

    Zhang, Wenchao; Yin, Baoqing; Shen, Ruiqi; Ye, Jiahai; Thomas, Jason A; Chao, Yimin

    2013-01-23

    A three-dimensionally ordered macroporous Fe(2)O(3)/Al nanothermite membrane has been prepared with a polystyrene spheres template. The nanothermite, with an enhanced interfacial contact between fuel and oxidizer, outputs 2.83 kJ g(-1) of energy. This is significantly more than has been reported before. This approach, fully compatible with MEMS technology, provides an efficient way to produce micrometer thick three-dimensionally ordered nanostructured thermite films with overall spatial uniformity. These exciting achievements will greatly facilitate potential for the future development of applications of nanothermites. PMID:23276147

  20. Chemical Dynamics Simulations of Intermolecular Energy Transfer: Azulene + N2 Collisions.

    Science.gov (United States)

    Kim, Hyunsik; Paul, Amit K; Pratihar, Subha; Hase, William L

    2016-07-14

    Chemical dynamics simulations were performed to investigate collisional energy transfer from highly vibrationally excited azulene (Az*) in a N2 bath. The intermolecular potential between Az and N2, used for the simulations, was determined from MP2/6-31+G* ab initio calculations. Az* is prepared with an 87.5 kcal/mol excitation energy by using quantum microcanonical sampling, including its 95.7 kcal/mol zero-point energy. The average energy of Az* versus time, obtained from the simulations, shows different rates of Az* deactivation depending on the N2 bath density. Using the N2 bath density and Lennard-Jones collision number, the average energy transfer per collision ⟨ΔEc⟩ was obtained for Az* as it is collisionally relaxed. By comparing ⟨ΔEc⟩ versus the bath density, the single collision limiting density was found for energy transfer. The resulting ⟨ΔEc⟩, for an 87.5 kcal/mol excitation energy, is 0.30 ± 0.01 and 0.32 ± 0.01 kcal/mol for harmonic and anharmonic Az potentials, respectively. For comparison, the experimental value is 0.57 ± 0.11 kcal/mol. During Az* relaxation there is no appreciable energy transfer to Az translation and rotation, and the energy transfer is to the N2 bath. PMID:27182630

  1. Chemical vapour deposition of thermochromic vanadium dioxide thin films for energy efficient glazing

    Energy Technology Data Exchange (ETDEWEB)

    Warwick, Michael E.A. [Department of Chemistry, University College London, Christopher Ingold Laboratories, 20 Gordon Street, London, WC1H 0AJ (United Kingdom); UCL Energy Institute, Central House, 14 Upper Woburn Place, London, WC1H 0NN (United Kingdom); Binions, Russell, E-mail: r.binions@qmul.ac.uk [School of Engineering and Materials Science, Queen Mary University of London, Mile End Road, London, E1 4NS (United Kingdom)

    2014-06-01

    Vanadium dioxide is a thermochromic material that undergoes a semiconductor to metal transitions at a critical temperature of 68 °C. This phase change from a low temperature monoclinic structure to a higher temperature rutile structure is accompanied by a marked change in infrared reflectivity and change in resistivity. This ability to have a temperature-modulated film that can limit solar heat gain makes vanadium dioxide an ideal candidate for thermochromic energy efficient glazing. In this review we detail the current challenges to such glazing becoming a commercial reality and describe the key chemical vapour deposition technologies being employed in the latest research. - Graphical abstract: Schematic demonstration of the effect of thermochromic glazing on solar radiation (red arrow represents IR radiation, black arrow represents all other solar radiation). - Highlights: • Vanadium dioxide thin films for energy efficient glazing. • Reviews chemical vapour deposition techniques. • Latest results for thin film deposition for vanadium dioxide.

  2. Ultra high energy cosmic rays: implications of Auger data for source spectra and chemical composition

    CERN Document Server

    Aloisio, R; Blasi, P

    2013-01-01

    We use a kinetic-equation approach to propagation of ultra high energy cosmic ray protons and nuclei to infer possible implications of the data on spectrum and chemical composition collected by the Pierre Auger Observatory. Using a homogeneous source distribution, we show that a simultaneous fit to the spectrum, elongation rate $X_{max}(E)$ and dispersion $\\sigma(X_{max})$ implies the injection of nuclei with very hard spectra. This leads however to underestimate the flux at energies $E\\leq 5\\times 10^{18}$ eV, thereby implying that an additional cosmic ray component is required, which needs to be of extragalactic origin. We discuss the nature of this additional component in terms of the recent findings of KASCADE-Grande on fluxes and chemical composition, which allows to describe the transition from Galactic to extragalactic cosmic rays.

  3. Particle production and chemical freezeout from the hybrid UrQMD approach at NICA energies

    CERN Document Server

    Tawfik, Abdel Nasser; Shalaby, Asmaa G; Hanafy, Mahmoud; Sorin, Alexander; Rogachevsky, Oleg; Scheinast, Werner

    2016-01-01

    The energy dependence of various particle ratios is calculated within the Ultra-Relativistic Quantum Molecular Dynamics approach and compared with the hadron resonance gas (HRG) model and measurements from various experiments, including RHIC-BES, SPS and AGS. It is found that the UrQMD particle ratios agree well with the experimental results at the RHIC-BES energies. Thus, we have utilized UrQMD in simulating particle ratios at other beam energies down to 3 GeV, which will be accessed at NICA and FAIR future facilities. We observe that the particle ratios for crossover and first-order phase transition, implemented in the hybrid UrQMD v3.4, are nearly indistinguishable, especially at low energies (at large baryon chemical potentials or high density).

  4. CHEMICAL STRUCTURE DEPENDENCE OF THE INTERNAL ENERGY CONTRIBUTION IN RUBBER ELASTICITY

    Institute of Scientific and Technical Information of China (English)

    Juan Sun; Xiao-zhen Yang

    2001-01-01

    Conformational elasticity theory recently developed has been used to explore the internal energy contribution to the elastic force fe/f as a function of strain for poly(cis-1,4-isoprene) and poly(trans-1,4-isoprene). Calculated fe/f values are in good agreement with those obtained experimentally. Results show that behavior of fe/f is mainly contributed by chemical structure, or intramolecular interaction, supporting the experimental observations, and that the internal energy contribution is strain dependent.``

  5. Band Gap Engineering in a 2D Material for Solar-to-Chemical Energy Conversion.

    Science.gov (United States)

    Hu, Jun; Guo, Zhenkun; Mcwilliams, Peter E; Darges, John E; Druffel, Daniel L; Moran, Andrew M; Warren, Scott C

    2016-01-13

    The electronic structure of 2D semiconductors depends on their thickness, providing new opportunities to engineer semiconductors for energy conversion, electronics, and catalysis. Here we show how a 3D semiconductor, black phosphorus, becomes active for solar-to-chemical energy conversion when it is thinned to a 2D material. The increase in its band gap, from 0.3 eV (3D) to 2.1 eV (2D monolayer), is accompanied by a 40-fold enhancement in the formation of chemical products. Despite this enhancement, smaller flakes also have shorter excited state lifetimes. We deduce a mechanism in which recombination occurs at flake edges, while the "van der Waals" surface of black phosphorus bonds to chemical intermediates and facilitates electron transfer. The unique properties of black phosphorus highlight its potential as a customizable material for solar energy conversion and catalysis, while also allowing us to identify design rules for 2D photocatalysts that will enable further improvements in these materials.

  6. Prospects for conversion of solar energy into chemical fuels: the concept of a solar fuels industry.

    Science.gov (United States)

    Harriman, Anthony

    2013-08-13

    There is, at present, no solar fuels industry anywhere in the world despite the well-publicized needs to replace our depleting stock of fossil fuels with renewable energy sources. Many obstacles have to be overcome in order to store sunlight in the form of chemical potential, and there are severe barriers to surmount in order to produce energy on a massive scale, at a modest price and in a convenient form. It is also essential to allow for the intermittent nature of sunlight, its diffusiveness and variability and to cope with the obvious need to use large surface areas for light collection. Nonetheless, we have no alternative but to devise viable strategies for storage of sunlight as biomass or chemical feedstock. Simple alternatives, such as solar heating, are attractive in terms of quick demonstrations but are not the answer. Photo-electrochemical devices might serve as the necessary machinery by which to generate electronic charge but the main problem is to couple these charges to the multi-electron catalysis needed to drive energy-storing chemical reactions. Several potential fuels (CO, H₂, HCOOH, NH₃, O₂, speciality organics, etc.) are possible, but the photochemical reduction of CO₂ deserves particular mention because of ever-growing concerns about overproduction of greenhouse gases. The prospects for achieving these reactions under ambient conditions are considered herein.

  7. CO2 utilization: an enabling element to move to a resource- and energy-efficient chemical and fuel production.

    Science.gov (United States)

    Ampelli, Claudio; Perathoner, Siglinda; Centi, Gabriele

    2015-03-13

    CO(2) conversion will be at the core of the future of low-carbon chemical and energy industry. This review gives a glimpse into the possibilities in this field by discussing (i) CO(2) circular economy and its impact on the chemical and energy value chain, (ii) the role of CO(2) in a future scenario of chemical industry, (iii) new routes for CO(2) utilization, including emerging biotechnology routes, (iv) the technology roadmap for CO(2) chemical utilization, (v) the introduction of renewable energy in the chemical production chain through CO(2) utilization, and (vi) CO(2) as a suitable C-source to move to a low-carbon chemical industry, discussing in particular syngas and light olefin production from CO(2). There are thus many stimulating possibilities offered by using CO(2) and this review shows this new perspective on CO(2) at the industrial, societal and scientific levels.

  8. Sense of coherence and burnout in the energy and chemicals industry: The moderating role of age

    Directory of Open Access Journals (Sweden)

    Sanet van der Westhuizen

    2015-03-01

    Full Text Available Orientation: Organisations are accommodating four different social generations in the working environment. This poses a challenge for Human Resources departments to manage these diverse age cohorts in the workforce, as they are likely to have different needs, values and variables affecting their wellness.Research purpose: The objective of the present study was to assess whether various age groups differ with regard to their sense of coherence and burnout, and whether age significantly moderates the relationship between sense of coherence and burnout.Motivation for the study: Although the literature review suggests that age groups may differ with regard to their sense of coherence and burnout, the findings seem to be somewhat inconclusive in this regard. There also seems to be a paucity of research examining the interaction effect between sense of coherence, burnout and age. Research approach, design and method: A cross-sectional quantitative survey approach was used. A nonprobability convenience sample of adults (N = 246 – employed in South Africa by an international integrated energy and chemicals company – participated in the study. Correlation, analysis of variance (ANOVA and hierarchical multiple regression analyses were performed to achieve the objectives of the study.Main findings: The results showed that employees between the ages of 51 and 60 years of age experienced higher levels of comprehensibility and lower levels of reduced professional efficacy than their younger counterparts. The relationship between sense of coherence and exhaustion was also stronger for employees between 51 and 60 years old than for younger age categories.Practical/managerial implications: The results of the study can be useful when planning human resource interventions to enhance the well-being of employees from different age groups.Contribution: The results of the study add new insights to the well-being literature by showing that employees’ age is

  9. Energy Analysis of Aluminosilicate Zeolites with Comprehensive Ranges of Framework Topologies, Chemical Compositions, and Aluminum Distributions.

    Science.gov (United States)

    Muraoka, Koki; Chaikittisilp, Watcharop; Okubo, Tatsuya

    2016-05-18

    The contents and locations of Al in the zeolite frameworks are one of the key factors determining the physicochemical properties of zeolites. Systematic evaluation of the characteristics of zeolites with a wide variety of framework topologies, a wide range of Si/Al ratios, and various locations of Al is of great significance, but very challenging due to the limitation of the realizable ranges of Al contents in zeolites as well as the limited information on the Al locations obtained from the current analytical techniques. Here, we report the systematic analysis of the energetics of aluminosilicate zeolites with 209 existing framework topologies at different Si/Al ratios using molecular mechanics. More than 43 000 initial structures were generated to give comprehensive views of the energetics of zeolites. The results coincide well with the structural knowledge obtained experimentally. It was revealed that the relation between the relative framework energies versus the Al contents varies in accordance with the topologies, suggesting that the relative stability of zeolites depends not only on the topologies, but also on the substituting contents of Al. For particular topologies with the same Al contents, in addition, comparisons between random and specific distributions of Al showed that zeolite with Al at a particular T site is energetically more stable than those with random distributions, suggesting the inherent influences of the Al locations. The contents and locations of Al in zeolites likely have a certain preference that may reflect the range of chemical compositions, the Al distributions, and consequently the physicochemical properties of realizable aluminosilicate zeolites. PMID:27097121

  10. Chemical composition and metabolizable energy values of corn germ meal obtained by wet milling for layers

    Directory of Open Access Journals (Sweden)

    CS Albuquerque

    2014-03-01

    Full Text Available An experiment was carried out to determine the chemical composition, metabolizable energy values, and coefficients of nutrient digestibility of corn germ meal for layers. The chemical composition of corn germ meal was determined, and then a metabolism assay was performed to determine its apparent metabolizable energy (AME and apparent metabolizable energy corrected for nitrogen (AMEn values and its dry matter and gross energy apparent metabolizability coefficients (CAMDM and CAMGE, respectively. In the 8-day assay (four days of adaptation and four days of total excreta collection, 60 29-week-old white Lohman LSL layers were used. A completely randomized experimental design, with three treatments with five replicates of four birds each, was applied. Treatments consisted of a reference diet and two test diets, containing 20 or 30% corn germ meal. Results were submitted to analysis of variance and means were compared by the Tukey tests at 5% probability level. The chemical composition of corn germ meal was: 96.39% dry matter, 49.48% ether extract, 1.87% ashes, 7243 kcal gross energy/kg, 11.48% protein, 0.19% methionine, 0.21% cystine, 0.48% lysine, 0.40% threonine, 0.72% arginine, 0.35% isoleucine, 0.83% leucine, 0.57% valine, and 0.37% histidine, on as-fed basis. There were no statistical differences in AME, AMEn, CAMDM, and CAMGE values with the inclusion of 20 and 30% corn germ meal in the diets. On dry matter basis, AME, AMEn, CAMDM, and CAMGE values of corn germ meal were: 4,578 and 4,548 kcal/kg, 4,723 and 4,372 kcal/kg, 64.95 and 61.86%, respectively.

  11. Analysis of Thermal and Chemical Effets on Negative Valve Overlap Period Energy Recovery for Low-Temperature Gasoline Combustion

    Energy Technology Data Exchange (ETDEWEB)

    Ekoto, Dr Isaac [Sandia National Laboratories (SNL); Peterson, Dr. Brian [University of Edinburgh; Szybist, James P [ORNL; Northrop, Dr. William [University of Minnesota

    2015-01-01

    A central challenge for efficient auto-ignition controlled low-temperature gasoline combustion (LTGC) engines has been achieving the combustion phasing needed to reach stable performance over a wide operating regime. The negative valve overlap (NVO) strategy has been explored as a way to improve combustion stability through a combination of charge heating and altered reactivity via a recompression stroke with a pilot fuel injection. The study objective was to analyze the thermal and chemical effects on NVO-period energy recovery. The analysis leveraged experimental gas sampling results obtained from a single-cylinder LTGC engine along with cylinder pressure measurements and custom data reduction methods used to estimate period thermodynamic properties. The engine was fueled by either iso-octane or ethanol, and operated under sweeps of NVO-period oxygen concentration, injection timing, and fueling rate. Gas sampling at the end of the NVO period was performed via a custom dump-valve apparatus, with detailed sample speciation by in-house gas chromatography. The balance of NVO-period input and output energy flows was calculated in terms of fuel energy, work, heat loss, and change in sensible energy. Experiment results were complemented by detailed chemistry single-zone reactor simulations performed at relevant mixing and thermodynamic conditions, with results used to evaluate ignition behavior and expected energy recovery yields. For the intermediate bulk-gas temperatures present during the NVO period (900-1100 K), weak negative temperature coefficient behavior with iso-octane fueling significantly lengthened ignition delays relative to similar ethanol fueled conditions. Faster ethanol ignition chemistry led to lower recovered fuel intermediate yields relative to similar iso-octane fueled conditions due to more complete fuel oxidation. From the energy analysis it was found that increased NVO-period global equivalence ratio, either from lower NVOperiod oxygen

  12. Utilizing energy efficient microwave sintering to significantly enhance the tensile response of a lead-free solder

    Science.gov (United States)

    Nai, S. M. L.; Kuma, J. V. M.; Gupta, M.

    2009-01-01

    This study investigates the effects of conventional sintering and hybrid microwave sintering techniques on the microstructure evolution and tensile properties of a Sn-Ag-Cu solder. A significant energy saving of up to 99% was achieved using the hybrid microwave assisted sintering approach. Hybrid microwave sintered samples exhibited better densification (in terms of lower porosity level) and this indicates the ability of microwaves to sinter solder materials more effectively. Furthermore, tensile results revealed that samples hybrid microwave sintered at 210 °C exhibited the best enhancement in yield strength and ultimate tensile strength, with no compromise in the failure strain, as compared with other widely used commercial solders. The morphology of pores and interparticle spacing were observed to be the two key factors influencing the mechanical properties of the solders.

  13. Lipid Replacement Therapy Drink Containing a Glycophospholipid Formulation Rapidly and Significantly Reduces Fatigue While Improving Energy and Mental Clarity

    Directory of Open Access Journals (Sweden)

    Robert Settineri

    2011-08-01

    Full Text Available Background: Fatigue is the most common complaint of patients seeking general medical care and is often treated with stimulants. It is also important in various physical activities of relatively healthy men and women, such as sports performance. Recent clinical trials using patients with chronic fatigue have shown the benefit of Lipid Replacement Therapy in restoring mitochondrial electron transport function and reducing moderate to severe chronic fatigue. Methods: Lipid Replacement Therapy was administered for the first time as an all-natural functional food drink (60 ml containing polyunsaturated glycophospholipids but devoid of stimulants or herbs to reduce fatigue. This preliminary study used the Piper Fatigue Survey instrument as well as a supplemental questionnaire to assess the effects of the glycophospholipid drink on fatigue and the acceptability of the test drink in adult men and women. A volunteer group of 29 subjects of mean age 56.2±4.5 years with various fatigue levels were randomly recruited in a clinical health fair setting to participate in an afternoon open label trial on the effects of the test drink. Results: Using the Piper Fatigue instrument overall fatigue among participants was reduced within the 3-hour seminar by a mean of 39.6% (p<0.0001. All of the subcategories of fatigue showed significant reductions. Some subjects responded within 15 minutes, and the majority responded within one hour with increased energy and activity and perceived improvements in cognitive function, mental clarity and focus. The test drink was determined to be quite acceptable in terms of taste and appearance. There were no adverse events from the energy drink during the study.Functional Foods in Health and Disease 2011; 8:245-254Conclusions: The Lipid Replacement Therapy functional food drink appeared to be a safe, acceptable and potentially useful new method to reduce fatigue, sustain energy and improve perceptions of mental function.

  14. Relative significance of heat transfer processes to quantify tradeoffs between complexity and accuracy of energy simulations with a building energy use patterns classification

    Science.gov (United States)

    Heidarinejad, Mohammad

    This dissertation develops rapid and accurate building energy simulations based on a building classification that identifies and focuses modeling efforts on most significant heat transfer processes. The building classification identifies energy use patterns and their contributing parameters for a portfolio of buildings. The dissertation hypothesis is "Building classification can provide minimal required inputs for rapid and accurate energy simulations for a large number of buildings". The critical literature review indicated there is lack of studies to (1) Consider synoptic point of view rather than the case study approach, (2) Analyze influence of different granularities of energy use, (3) Identify key variables based on the heat transfer processes, and (4) Automate the procedure to quantify model complexity with accuracy. Therefore, three dissertation objectives are designed to test out the dissertation hypothesis: (1) Develop different classes of buildings based on their energy use patterns, (2) Develop different building energy simulation approaches for the identified classes of buildings to quantify tradeoffs between model accuracy and complexity, (3) Demonstrate building simulation approaches for case studies. Penn State's and Harvard's campus buildings as well as high performance LEED NC office buildings are test beds for this study to develop different classes of buildings. The campus buildings include detailed chilled water, electricity, and steam data, enabling to classify buildings into externally-load, internally-load, or mixed-load dominated. The energy use of the internally-load buildings is primarily a function of the internal loads and their schedules. Externally-load dominated buildings tend to have an energy use pattern that is a function of building construction materials and outdoor weather conditions. However, most of the commercial medium-sized office buildings have a mixed-load pattern, meaning the HVAC system and operation schedule dictate

  15. Toward an Accurate Estimate of the Exfoliation Energy of Black Phosphorus: A Periodic Quantum Chemical Approach.

    Science.gov (United States)

    Sansone, Giuseppe; Maschio, Lorenzo; Usvyat, Denis; Schütz, Martin; Karttunen, Antti

    2016-01-01

    The black phosphorus (black-P) crystal is formed of covalently bound layers of phosphorene stacked together by weak van der Waals interactions. An experimental measurement of the exfoliation energy of black-P is not available presently, making theoretical studies the most important source of information for the optimization of phosphorene production. Here, we provide an accurate estimate of the exfoliation energy of black-P on the basis of multilevel quantum chemical calculations, which include the periodic local Møller-Plesset perturbation theory of second order, augmented by higher-order corrections, which are evaluated with finite clusters mimicking the crystal. Very similar results are also obtained by density functional theory with the D3-version of Grimme's empirical dispersion correction. Our estimate of the exfoliation energy for black-P of -151 meV/atom is substantially larger than that of graphite, suggesting the need for different strategies to generate isolated layers for these two systems. PMID:26651397

  16. Chemical freeze-out parameters in Beam Energy Scan Program of STAR at RHIC

    CERN Document Server

    ,

    2014-01-01

    The STAR experiment at RHIC has completed its first phase of the Beam Energy Scan (BES-I) program to understand the phase structure of the quantum chromodynamics (QCD). The bulk properties of the system formed in Au+Au collisions at different center of mass energy $\\sqrt{s_{NN}} = $ 7.7, 11.5, 19.6, 27, and 39 GeV have been studied from the data collected in the year 2010 and 2011. The centrality and energy dependence of mid-rapidity ($|y|$ < 0.1) particle yields, and ratios are presented here. The chemical freeze-out parameters are extracted using measured particle ratios within the framework of a statistical model.

  17. Chemical freeze-out parameters in Beam Energy Scan Program of STAR at RHIC

    Directory of Open Access Journals (Sweden)

    Das Sabita

    2015-01-01

    Full Text Available The STAR experiment at RHIC has completed its first phase of the Beam Energy Scan (BES-I program to understand the phase structure of the quantum chromodynamics (QCD. The bulk properties of the system formed in Au+Au collisions at different center of mass energy √sNN = 7.7, 11.5, 19.6, 27, and 39 GeV have been studied from the data collected in the year 2010 and 2011. The centrality and energy dependence of mid-rapidity (|y| < 0.1 particle yields, and ratios are presented here. The chemical freeze-out parameters are extracted using measured particle ratios within the framework of a statistical model.

  18. Chemical freeze-out parameters in Beam Energy Scan Program of STAR at RHIC

    Science.gov (United States)

    Das, Sabita

    2015-03-01

    The STAR experiment at RHIC has completed its first phase of the Beam Energy Scan (BES-I) program to understand the phase structure of the quantum chromodynamics (QCD). The bulk properties of the system formed in Au+Au collisions at different center of mass energy √sNN = 7.7, 11.5, 19.6, 27, and 39 GeV have been studied from the data collected in the year 2010 and 2011. The centrality and energy dependence of mid-rapidity (|y| < 0.1) particle yields, and ratios are presented here. The chemical freeze-out parameters are extracted using measured particle ratios within the framework of a statistical model.

  19. Generalized Least Energy of Separation for Desalination and Other Chemical Separation Processes

    Directory of Open Access Journals (Sweden)

    Karan H. Mistry

    2013-05-01

    Full Text Available Increasing global demand for fresh water is driving the development and implementation of a wide variety of seawater desalination technologies driven by different combinations of heat, work, and chemical energy. This paper develops a consistent basis for comparing the energy consumption of such technologies using Second Law efficiency. The Second Law efficiency for a chemical separation process is defined in terms of the useful exergy output, which is the minimum least work of separation required to extract a unit of product from a feed stream of a given composition. For a desalination process, this is the minimum least work of separation for producing one kilogram of product water from feed of a given salinity. While definitions in terms of work and heat input have been proposed before, this work generalizes the Second Law efficiency to allow for systems that operate on a combination of energy inputs, including fuel. The generalized equation is then evaluated through a parametric study considering work input, heat inputs at various temperatures, and various chemical fuel inputs. Further, since most modern, large-scale desalination plants operate in cogeneration schemes, a methodology for correctly evaluating Second Law efficiency for the desalination plant based on primary energy inputs is demonstrated. It is shown that, from a strictly energetic point of view and based on currently available technology, cogeneration using electricity to power a reverse osmosis system is energetically superior to thermal systems such as multiple effect distillation and multistage flash distillation, despite the very low grade heat input normally applied in those systems.

  20. Conversion of high explosive chemical energy into energy of powerful nanosecond high-current pulses

    Science.gov (United States)

    Gorbachev, K. V.; Mikhaylov, V. M.; Nesterov, E. V.; Stroganov, V. A.; Chernykh, E. V.

    2015-01-01

    This study is a contribution into the development of physicotechnical foundations for generation of powerful nanosecond high-current pulses on the basis of explosively driven magnetic flux compression generators. This problem is solved by using inductive storage of energy for matching comparatively low-voltage explosively driven magnetic flux compression generators and high-impedance loads; short forming lines and vacuum diodes. Experimental data of charging of forming lines are given.

  1. The role of chemical free energy and elastic strain in the nucleation of zirconium hydride

    Energy Technology Data Exchange (ETDEWEB)

    Barrow, A.T.W. [Nuclear Materials Group, Department of Mechanical and Materials Engineering, Queen’s University, Kingston, Ontario K7L 3N6 (Canada); Toffolon-Masclet, C. [CEA-Saclay, Nuclear Materials Department, SRMA/LA2M, F-91191 Gif-Sur-Yvette (France); Almer, J. [Argonne National Laboratory, Argonne, IL 60439 (United States); Daymond, M.R., E-mail: daymond@me.queensu.ca [Nuclear Materials Group, Department of Mechanical and Materials Engineering, Queen’s University, Kingston, Ontario K7L 3N6 (Canada)

    2013-10-15

    In this work a combination of synchrotron X-ray diffraction and thermodynamic modelling has been used to study the dissolution and precipitation of zirconium hydride in α-Zr establishing the role of elastic misfit strain and chemical free energy in the α → α + δ phase transformation. The nucleation of zirconium hydride is dominated by the chemical free energy where the chemical driving force for hydride precipitation is proportional to the terminal-solid solubility for precipitation and can be predicted by a function that is analogous to the universal nucleation parameter for the bainite transformation in ferrous alloys. The terminal-solid solubility for precipitation was found to be kinetically limited ⩾287 °C at a cooling rate of 5 °C min{sup −1} or greater. The terminal solubilities were established using an offset method applied to the lattice strain data where a resolution of ∼10 wppm H can be achieved in the 〈c〉-direction. This is aided by the introduction of intra-granular strains in the 〈c〉-direction during cooling as a result of the thermal expansion anisotropy which increases the anisotropy associated with the misfitting H atoms within the α-Zr lattice.

  2. Chemical production from waste carbon monoxide: its potential for energy conservation

    Energy Technology Data Exchange (ETDEWEB)

    Rohrmann, C.A.; Schiefelbein, G.F.; Molton, P.M.; Li, C.T.; Elliott, D.C.; Baker, E.G.

    1977-11-01

    Results of a study of the potential for energy conservation by producing chemicals from by-product or waste carbon monoxide (CO) from industrial sources are summarized. Extensive compilations of both industrial sources and uses for carbon monoxide were developed and included. Reviews of carbon monoxide purification and concentration technology and preliminary economic evaluations of carbon monoxide concentration, pipeline transportation and utilization of CO in the synthesis of ammonia and methanol are included. Preliminary technical and economic feasibility studies were made of producing ammonia and methanol from the by-product CO produced by a typical elemental phosphorus plant. Methanol synthesis appears to be more attractive than ammonia synthesis when using CO feedstock because of reduced water gas shift and carbon dioxide removal requirements. The economic studies indicate that methanol synthesis from CO appears to be competitive with conventional technology when the price of natural gas exceeds $0.82/million Btu, while ammonia synthesis from CO is probably not competitive until the price of natural gas exceeds $1.90/million Btu. It is concluded that there appears to be considerable potential for energy conservation in the chemical industry, by collecting CO rather than flaring it, and using it to make major chemicals such as ammonia and methanol.

  3. Energy and chemical efficient nitrogen removal at a full-scale MBR water reuse facility

    Directory of Open Access Journals (Sweden)

    Jianfeng Wen

    2015-02-01

    Full Text Available With stringent wastewater discharge limits on nitrogen and phosphorus, membrane bioreactor (MBR technology is gaining popularity for advanced wastewater treatment due to higher effluent quality and smaller footprint. However, higher energy intensity required for MBR plants and increased operational costs for nutrient removal limit wide application of the MBR technology. Conventional nitrogen removal requires intensive energy inputs and chemical addition. There are drivers to search for new technology and process control strategies to treat wastewater with lower energy and chemical demand while still producing high quality effluent. The NPXpress is a patented technology developed by American Water engineers. This technology is an ultra-low dissolved oxygen (DO operation for wastewater treatment and is able to remove nitrogen with less oxygen requirements and reduced supplemental carbon addition in MBR plants. Jefferson Peaks Water Reuse Facility in New Jersey employs MBR technology to treat municipal wastewater and was selected for the implementation of the NPXpress technology. The technology has been proved to consistently produce a high quality reuse effluent while reducing energy consumption and supplemental carbon addition by 59% and 100%, respectively. Lab-scale kinetic studies suggested that NPXpress promoted microorganisms with higher oxygen affinity. Process modelling was used to simulate treatment performance under NPXpress conditions and develop ammonia-based aeration control strategy. The application of the ammonia-based aeration control at the plant further reduced energy consumption by additional 9% and improved treatment performance with 35% reduction in effluent total nitrogen. The overall energy savings for Jefferson Peaks was $210,000 in four years since the implementation of NPXpress. This study provided an insight in design and operation of MBR plants with NPXpress technology and ultra-low DO operations.

  4. Energy and centrality dependence of chemical freeze-out parameters from models

    CERN Document Server

    Kumar, Lokesh

    2013-01-01

    One of the main goals of heavy-ion collision experiments is to study the structure of the QCD phase diagram. The QCD phase diagram is typically plotted as temperature ($T$) vs. baryon chemical potential ($\\mu_{B}$). The statistical thermal model THERMUS compared to experimental data provides chemical freeze-out parameters such as temperature, baryon chemical potential and strangeness saturation factor ($\\gamma_{s}$). However, the values of these parameters depend on models and their underlying assumptions, such as the nature of the ensemble used, particle ratios vs. particle yields, and the treatment of feed-down contributions to particle yields. In these proceedings, we report on a systematic study of chemical freeze-out parameters using THERMUS, as a function of collision centrality and collision energies ($\\sqrt{s_{NN}} =7.7-200$ GeV). These studies are performed with the string melting version of A Multi-Phase Transport (AMPT) model. A comparison is presented of freeze-out parameters between grand-canonic...

  5. Predicting corn digestible and metabolizable energy content from its chemical composition in growing pigs

    Institute of Scientific and Technical Information of China (English)

    Quanfeng Li; Jianjun Zang; Dewen Liu; Xiangshu Piao; Changhua Lai; Defa Li

    2014-01-01

    Background:The nutrient composition of corn is variable. To prevent unforeseen reductions in growth performance, grading and analytical methods are used to minimize nutrient variability between calculated and analyzed values. This experiment was carried out to define the sources of variation in the energy content of corn and to develop a practical method to accurately estimate the digestible energy (DE) and metabolisable energy (ME) content of individual corn samples for growing pigs. Twenty samples were taken from each of five provinces in China (Jilin, Hebei, Shandong, Liaoning, and Henan) to obtain a range of quality. Results:The DE and ME contents of the 100 corn samples were measured in 35.3 ± 1.92 kg growing pigs (six pigs per corn sample). Sixty corn samples were used to build the prediction model;the remaining forty samples were used to test the suitability of these models. The chemical composition of each corn sample was determined, and the results were used to establish prediction equations for DE or ME content from chemical characteristics. The mean DE and ME content of the 100 samples were 4,053 and 3,923 kcal/kg (dry matter basis), respectively. The physical characteristics were determined, as well, and the results indicated that the bulk weight and 1,000-kernel weight were not associated with energy content. The DE and ME values could be accurately predicted from chemical characteristics. The best fit equations were as follows:DE, kcal/kg of DM=1062.68+(49.72 × EE)+(0.54 × GE)+(9.11 × starch), with R2=0.62, residual standard deviation (RSD)=48 kcal/kg, and P<0.01;ME, kcal/kg of dry matter basis (DM)=671.54+(0.89 × DE)-(5.57 × NDF)-(191.39 × ash), with R2=0.87, RSD=18 kcal/kg, and P<0.01. Conclusion:This experiment confirms the large variation in the energy content of corn, describes the factors that influence this variation, and presents equations based on chemical measurements that may be used to predict the DE and ME content of individual

  6. Screening of heavy quark free energies at finite temperature and non-zero baryon chemical potential

    CERN Document Server

    Döring, M; Kaczmarek, O; Karsch, Frithjof; Laermann, E

    2006-01-01

    We analyze the dependence of heavy quark free energies on the baryon chemical potential (mu_b) in 2-flavour QCD using improved (p4) staggered fermions with a bare quark mass of m/T = 0.4. By performing a 6th order Taylor expansion in the chemical potential which circumvents the sign problem. The Taylor expansion coefficients of colour singlet and colour averaged free energies are calculated and from this the expansion coefficients for the corresponding screening masses are determined. We find that for small mu_b the free energies of a static quark anti-quark pair decrease in a medium with a net excess of quarks and that screening is well described by a screening mass which increases with increasing mu_b. The mu_b-dependent corrections to the screening masses are well described by perturbation theory for T > 2 T_c. In particular, we find for all temperatures above T_c that the expansion coefficients for singlet and colour averaged screening masses differ by a factor 2.

  7. On The Heavy Chemical Composition of the Ultra-High Energy Cosmic Rays

    CERN Document Server

    Hooper, Dan

    2009-01-01

    The Pierre Auger Observatory's (PAO) shower profile measurements can be used to constrain the chemical composition of the ultra-high energy cosmic ray (UHECR) spectrum. In particular, the PAO's measurements of the average depth of shower maximum and the fluctuations of the depth of shower maximum indicate that the cosmic ray spectrum is dominated by a fairly narrow distribution (in charge) of heavy or intermediate mass nuclei at the highest measured energies (E > 10^{19} eV), and contains mostly lighter nuclei or protons at lower energies (E ~ 10^{18} eV). In this article, we study the propagation of UHECR nuclei with the goal of using these measurements, along with those of the shape of the spectrum, to constrain the chemical composition of the particles accelerated by the sources of the UHECRs. We find that with modest intergalactic magnetic fields, 0.3 nG in strength with 1 Mpc coherent lengths, good fits to the combined PAO data can be found for the case in which the sources accelerate primarily intermedi...

  8. Study of chemical equilibrium in nucleus-nucleus collisions at AGS and SPS energies

    CERN Document Server

    Becattini, F; Keränen, A; Manninen, J; Stock, Reinhard

    2003-01-01

    We present a detailed study of chemical freeze-out in nucleus-nucleus collisions at beam energies of 11.6, 30, 40, 80 and 158A GeV. By analyzing hadronic multiplicities within the statistical hadronization approach, we have studied the strangeness production as a function of centre of mass energy and of the parameters of the source. We have tested and compared different versions of the statistical model, with special emphasis on possible explanations of the observed strangeness hadronic phase space under-saturation. We show that, in this energy range, the use of hadron yields at midrapidity instead of in full phase space artificially enhances strangeness production and could lead to incorrect conclusions as far as the occurrence of full chemical equilibrium is concerned. In addition to the basic model with an extra strange quark non-equilibrium parameter, we have tested three more schemes: a two-component model superimposing hadrons coming out of single nucleon-nucleon interactions to those emerging from larg...

  9. The Role of Chemical Processes in the Transition to Sustainable Energy Systems

    Energy Technology Data Exchange (ETDEWEB)

    Stucki, S.; Palumbo, R.; Baltensperger, U.; Boulouchos, K.; Haas, O.; Scherer, G.G.; Siegwolf, R.; Wokaun, A

    2002-01-01

    Chemical science and engineering play a central role in improving the eco- efficiency of energy services, be it by optimizing fossil fuel utilization from the source to the sinks, be it by exploring new ways of replacing fossil fuels with renewable ones. Catalytic fuel processing is required for providing clean and easy to convert inputs from contaminated and/or high molecular weight primary resources into efficient energy conversion systems such as advanced combustion engines and fuel cells. The switch from conventional fossil fuel resources to renewables such as solar or biomass requires new approaches in chemical engineering. Efficiency vs. emissions trade-offs for improving the eco-performance of combustion engines need to be optimized with improved understanding of the complex chemistry taking place in flames. New materials for fuel cells and batteries provide a means of making these devices applicable, thereby drastically cutting down on emissions from energy systems. Chemistry is not only involved in fuel processing and conversion, but it is also important at the end of the pipe, i.e. in catalytic emission control devices, in the treatment of hazardous residues from the incineration of waste materials, and in the complex interactions of air pollutants with the biosphere. (author)

  10. Estimated Energy Savings and Financial Impacts of Nanomaterials by Design on Selected Applications in the Chemical Industry

    Energy Technology Data Exchange (ETDEWEB)

    Thayer, Gary R. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Roach, J. Fred [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Dauelsberg, Lori [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2006-03-01

    This study provides a preliminary analysis of the potential impact that nanotechnology could have on energy efficiency, economic competitiveness, waste reduction, and productivity, in the chemical and related industries.

  11. Evaluation of various feedstuffs of ruminants in terms of chemical composition and metabolisable energy content

    Directory of Open Access Journals (Sweden)

    Dinesh Kumar

    2015-05-01

    Full Text Available Aim: The aim was to determine the chemical composition and metabolisable energy (ME content of feedstuffs used in ruminant animals using in vitro method. Materials and Methods: A total of 18 feedstuffs used for ruminant feeding including cultivated non-leguminous fodders like maize, sorghum, pearl millet, and oat; leguminous fodders like cowpea and berseem; agro-industrial by-products such as wheat bran, deoiled rice bran, rice polish, wheat straw, and concentrates such as mustard oil cake, groundnut cake, soybean meal, cotton seed cake, grains like maize, oat, wheat, and barley were taken for this study. Chemical compositions and cell wall constituents of test feeds were determined in triplicate. The crude protein (CP content was calculated as nitrogen (N × 6.25. True dry matter digestibility (TDMD, true organic matter digestibility (TOMD, ME, and partitioning factor (PF values were determined by in vitro gas production technique (IVGPT. Results: The CP content of non-leguminous fodders varied from 7.29% (sorghum to 9.51% (maize, but leguminous fodders had less variation in CP. Oilseed cakes/meals had high CP and ether extract (EE content than other feedstuffs except rice polish, which had 12.80% EE. Wheat straw contained highest fiber fractions than the other ingredients. ME content was highest in grains (wheat-12.02 MJ/kg and lowest in wheat straw (4.65 MJ/kg and other roughages. TDMD of grains and oilseed cakes/meals were higher than the fodders and agro-industrial by-products. The same trend was observed for TOMD. Conclusions: It was concluded that the energy feeds showed a great variation in chemical composition and ME content. The results of this study demonstrated that the kinetics of gas production of energy feed sources differed among themselves. Evaluation of various feedstuffs is helpful in balanced ration formulation for field animals and under farm conditions for better utilization of these commonly available feed resources.

  12. Calculation of chemical reaction energies using the AM05 density functional

    CERN Document Server

    Muller, Richard P; Janssen, Curtis L

    2009-01-01

    We present results that compare the accuracy of the AM05 density functional to a set of chemical reaction energies. The reactions were generated from the singlet species in the well-known G2 test suite. Our results show that, in general, the AM05 functional performs as well as the other "pure" density functionals, but none of these perform as well as the hybrid B3LYP functional. These results are nonetheless encouraging because the AM05 functional arises from very simple assumptions, and does not require the calculation of the Hartree-Fock exchange integrals.

  13. Heat and mass transfer in unsteady rotating fluid flow with binary chemical reaction and activation energy.

    Directory of Open Access Journals (Sweden)

    Faiz G Awad

    Full Text Available In this study, the Spectral Relaxation Method (SRM is used to solve the coupled highly nonlinear system of partial differential equations due to an unsteady flow over a stretching surface in an incompressible rotating viscous fluid in presence of binary chemical reaction and Arrhenius activation energy. The velocity, temperature and concentration distributions as well as the skin-friction, heat and mass transfer coefficients have been obtained and discussed for various physical parametric values. The numerical results obtained by (SRM are then presented graphically and discussed to highlight the physical implications of the simulations.

  14. Heat and mass transfer in unsteady rotating fluid flow with binary chemical reaction and activation energy.

    Science.gov (United States)

    Awad, Faiz G; Motsa, Sandile; Khumalo, Melusi

    2014-01-01

    In this study, the Spectral Relaxation Method (SRM) is used to solve the coupled highly nonlinear system of partial differential equations due to an unsteady flow over a stretching surface in an incompressible rotating viscous fluid in presence of binary chemical reaction and Arrhenius activation energy. The velocity, temperature and concentration distributions as well as the skin-friction, heat and mass transfer coefficients have been obtained and discussed for various physical parametric values. The numerical results obtained by (SRM) are then presented graphically and discussed to highlight the physical implications of the simulations. PMID:25250830

  15. The crystallisation trends of spinels in tertiary basalts from Rhum and Muck and their petrogenetic significance. [chemical composition changes during crystal formation

    Science.gov (United States)

    Ridley, W. I.

    1977-01-01

    Spinels found in transitional olivine basalts from the Islands of Rhum and Muck in the British Tertiary Province are analyzed to determine their chemical variability and their relationship to silicate phases. Chemical zoning of the cores of spinels which spilled into the basaltic liquid may be due to a reaction between the spinel and the liquid resulting in more Fe- and Ti-rich spinels. In addition, a peritectic-type reaction seems to have occurred, causing the transformation of aluminum spinel to chrome spinel with precipitation of plagioclase. Changes in the basaltic liquid are reflected by these transformations in the spinel composition.

  16. Linear solvation energy relationships for toxicity of selected organic chemicals to Daphnia pulex and Daphnia magna

    Science.gov (United States)

    Passino, Dora R.M.; Hickey, James P.; Frank, Anthony M.

    1988-01-01

    In the Laurentian Great Lakes, more than 300 contaminants have been identified in fish, other biota, water, and sediment. Current hazard assessment of these chemicals by the National Fisheries Research Center-Great Lakes is based on their toxicity, occurrence in the environment, and source. Although scientists at the Center have tested over 70 chemicals with the crustacean Daphnia pulex, the number of experimental data needed to screen the huge array of chemicals in the Great Lakes exceeds the practical capabilities of conducting bioassays. This limitation can be partly circumvented, however, by using mathematical models based on quantitative structure-activity relationships (QSAR) to provide rapid, inexpensive estimates of toxicity. Many properties of chemicals, including toxicity, bioaccumulation and water solubility are well correlated and can be predicted by equations of the generalized linear solvation energy relationships (LSER). The equation we used to model solute toxicity is Toxicity = constant + mVI/100 + s (π* + dδ) + bβm + aαm where VI = intrinsic (Van der Waals) molar volume; π* = molecular dipolarity/polarizability; δ = polarizability 'correction term'; βm = solute hydrogen bond acceptor basicity; and αm = solute hydrogen bond donor acidity. The subscript m designates solute monomer values for α and β. We applied the LSER model to 48-h acute toxicity data (measured as immobilization) for six classes of chemicals detected in Great Lakes fish. The following regression was obtained for Daphnia pulex (concentration = μM): log EC50 = 4.86 - 4.35 VI/100; N = 38, r2 = 0.867, sd = 0.403 We also used the LSER modeling approach to analyze to a large published data set of 24-h acute toxicity for Daphnia magna; the following regression resulted, for eight classes of compounds (concentration = mM): log EC50 = 3.88 - 4.52 VI/100 - 1.62 π* + 1.66 βm - 0.916 αm; N = 62, r2 = 0.859, sd = 0.375 In addition we developed computer software that identifies

  17. An isomer-specific high-energy collision-induced dissociation MS/MS database for forensic applications: a proof-of-concept on chemical warfare agent markers.

    Science.gov (United States)

    Subramaniam, Raja; Östin, Anders; Nygren, Yvonne; Juhlin, Lars; Nilsson, Calle; Åstot, Crister

    2011-09-01

    Spectra database search has become the most popular technique for the identification of unknown chemicals, minimizing the need for authentic reference chemicals. In the present study, an isomer-specific high-energy collision-induced dissociation (CID) MS/MS spectra database of 12 isomeric O-hexyl methylphosphonic acids (degradation markers of nerve agents) was created. Phosphonate anions were produced by the electrospray ionization of phosphonic acids or negative-ion chemical ionization of their fluorinated derivatives and were analysed in a hybrid magnetic-sector-time-of-flight tandem mass spectrometer. A centre-of-mass energy (E(com)) of 65 eV led to an optimal sequential carbon-carbon bond breakage, which was interpreted in terms of charge remote fragmentation. The proposed mechanism is discussed in comparison with the routinely used low-energy CID MS/MS. Even-mass (odd-electron) charge remote fragmentation ion series were diagnostic of the O-alkyl chain structure and can be used to interpret unknown spectra. Together with the odd-mass ion series, they formed highly reproducible, isomer-specific spectra that gave significantly higher database matches and probability factors (by 1.5 times) than did the EI MS spectra of the trimethylsilyl derivatives of the same isomers. In addition, ionization by negative-ion chemical ionization and electrospray ionization resulted in similar spectra, which further highlights the general potential of the high-energy CID MS/MS technique. PMID:21915956

  18. Experimental program to stimulate competitive energy research in North Dakota: Summary and significance of DOE Trainee research

    Energy Technology Data Exchange (ETDEWEB)

    Boudjouk, Philip

    1999-07-01

    The general goals of the North Dakota DOE/EPSCoR Program are to enhance the capabilities of North Dakota's researchers to conduct nationally competitive energy-related research and to develop science and engineering human resources to meet current and future needs in energy-related areas. Doctoral students were trained and energy research was conducted.

  19. Generally applicable limits on intakes of uranium based on its chemical toxicity and the radiological significance of intakes at those limits.

    Science.gov (United States)

    Thorne, M C; Wilson, J

    2015-12-01

    Uranium is chemically toxic and radioactive, and both considerations have to be taken into account when limiting intakes of the element, in the context of both occupational and public exposures. Herein, the most recent information available on the chemical toxicity and biokinetics of uranium is used to propose new standards for limiting intakes of the element. The approach adopted allows coherent standards to be set for ingestion and inhalation of different chemical forms of the element by various age groups. It also allows coherent standards to be set for occupational and public exposures (including exposures of different age groups) and for various exposure regimes (including short-term and chronic exposures). The proposed standards are more restrictive than those used previously, but are less restrictive than the Minimal Risk Levels proposed recently by the US Agency for Toxic Substances and Disease Registry. Having developed a set of proposed limits based solely on chemical toxicity considerations, the radiological implications of exposure at those proposed limits are investigated for natural, depleted and enriched uranium. PMID:26418079

  20. Generally applicable limits on intakes of uranium based on its chemical toxicity and the radiological significance of intakes at those limits.

    Science.gov (United States)

    Thorne, M C; Wilson, J

    2015-12-01

    Uranium is chemically toxic and radioactive, and both considerations have to be taken into account when limiting intakes of the element, in the context of both occupational and public exposures. Herein, the most recent information available on the chemical toxicity and biokinetics of uranium is used to propose new standards for limiting intakes of the element. The approach adopted allows coherent standards to be set for ingestion and inhalation of different chemical forms of the element by various age groups. It also allows coherent standards to be set for occupational and public exposures (including exposures of different age groups) and for various exposure regimes (including short-term and chronic exposures). The proposed standards are more restrictive than those used previously, but are less restrictive than the Minimal Risk Levels proposed recently by the US Agency for Toxic Substances and Disease Registry. Having developed a set of proposed limits based solely on chemical toxicity considerations, the radiological implications of exposure at those proposed limits are investigated for natural, depleted and enriched uranium.

  1. Task Group report to the Assistant Secretary for Environment, Safety and Health on oversight of chemical safety at the Department of Energy. Volume 2, Appendices

    Energy Technology Data Exchange (ETDEWEB)

    1992-11-01

    This report presents the results of a preliminary review of chemical safety within the Department of Energy (DOE). The review was conducted by Chemical Safety Oversight Review (CSOR) Teams composed of Office of Environment, Safety and Health (EH) staff members and contractors. The primary objective of the CSOR was to assess, the safety status of DOE chemical operations and identify any significant deficiencies associated with such operations. Significant was defined as any situation posing unacceptable risk, that is, imminent danger or threat to workers, co-located workers, the general public, or the environment, that requires prompt action by EH or the line organizations. A secondary objective of the CSOR was to gather and analyze technical and programmatic information related to chemical safety to be used in conjunction with the longer-range EH Workplace Chemical Accident Risk Review (WCARR) Program. The WCARR Program is part of the ongoing EH oversight of nonnuclear safety at all DOE facilities. `` The program objective is to analyze DOE and industry chemical safety programs and performance and determine the need for additional or improved safety guidance for DOE. During the period June 6, 1992, through July 31, 1992, EH conducted CSORs at five DOE sites. The sites visited were Los Alamos National Laboratory (LANL), Savannah River Site (SRS), the Y-12 Plant (Y-12), Oak Ridge National Laboratory (ORNL), and Lawrence Livermore National Laboratory (LLNL).

  2. Plasmonic hot carrier dynamics in solid-state and chemical systems for energy conversion

    Science.gov (United States)

    Narang, Prineha; Sundararaman, Ravishankar; Atwater, Harry A.

    2016-06-01

    Surface plasmons provide a pathway to efficiently absorb and confine light in metallic nanostructures, thereby bridging photonics to the nano scale. The decay of surface plasmons generates energetic `hot' carriers, which can drive chemical reactions or be injected into semiconductors for nano-scale photochemical or photovoltaic energy conversion. Novel plasmonic hot carrier devices and architectures continue to be demonstrated, but the complexity of the underlying processes make a complete microscopic understanding of all the mechanisms and design considerations for such devices extremely challenging.Here,we review the theoretical and computational efforts to understand and model plasmonic hot carrier devices.We split the problem into three steps: hot carrier generation, transport and collection, and review theoretical approaches with the appropriate level of detail for each step along with their predictions.We identify the key advances necessary to complete the microscopic mechanistic picture and facilitate the design of the next generation of devices and materials for plasmonic energy conversion.

  3. Electron and chemical reservoir corrections for point-defect formation energies

    Science.gov (United States)

    Freysoldt, Christoph; Lange, Björn; Neugebauer, Jörg; Yan, Qimin; Lyons, John L.; Janotti, Anderson; Van de Walle, Chris G.

    2016-04-01

    Point-defect formation energies calculated within the framework of density functional theory often depend on the choice of the exchange and correlation (xc) functional. We show that variations between the local density approximation (LDA), generalized gradient approximation (GGA), and hybrid functionals mainly arise from differences in the position of the bulk valence-band maximum, as well as in the reference energies for the chemical potential obtained with distinct xc functionals. We demonstrate for point defects relevant for p -type GaN that these differences can be accounted for by corrections, reducing the maximum disagreement between the different functionals from more than 2 eV to below 0.2 eV. Our correction scheme should be useful for performing high-throughput calculations in cases where full hybrid functional calculations are prohibitively expensive.

  4. 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

    2016-04-01

    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.

  5. 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

    2016-01-01

    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. PMID:27118640

  6. Process simulation and maximization of energy output in chemical-looping combustion using ASPEN plus

    Directory of Open Access Journals (Sweden)

    Xiao Zhang, Subhodeep Banerjee, Ling Zhou, Ramesh Agarwal

    2015-01-01

    Full Text Available Chemical-looping combustion (CLC is currently considered as a leading technology for reducing the economic cost of CO2 capture. In this paper, several process simulations of chemical-looping combustion are conducted using the ASPEN Plus software. The entire CLC process from the beginning of coal gasification to the reduction and oxidation of the oxygen carrier is modeled and validated against experimental data. The energy balance of each major component of the CLC process, e.g., the fuel and air reactors and air/flue gas heat exchangers is examined. Different air flow rates and oxygen carrier feeding rates are used in the simulations to obtain the optimum ratio of coal, air, and oxygen carrier that produces the maximum power. Two scaled-up simulations are also conducted to investigate the influence of increase in coal feeding on power generation. It is demonstrated that the optimum ratio of coal, air supply, and oxygen carrier for maximum power generation remains valid for scaled-up cases with substantially larger coal feeding rates; the maximum power generation scales up linearly by using the process simulation models in ASPEN Plus. The energy output from four different types of coals is compared, and the optimum ratio of coal, air supply and oxygen carrier for maximum power generation for each type of coal is determined.

  7. The effects of high electronic energy loss on the chemical modification of polyimide

    CERN Document Server

    SunYouMei; Jin Yun Fan; Liu Chang Long; LiuJie; Wang Zhi Guang; Zhang Qi; Zhu Zhi Yong

    2002-01-01

    In order to observe the role of electronic energy loss (dE/dX) sub e on chemical modification of polyimide (PI), the multi-layer stacks (corresponding to different dE/dX) were irradiated by different swift heavy ions (1.37 GeV Ar sup 4 sup 0 , 1.98 GeV Kr sup 8 sup 4 , 1.755 GeV Xe sup 1 sup 3 sup 6 and 2.636 GeV U sup 2 sup 3 sup 8) under vacuum and room temperature. The chemical changes of modified PI films were studied by Fourier transform infrared (FTIR) and ultraviolet/visible (UV/Vis) absorption spectroscopy. The degradation of PI was investigated in the fluence range from 1x10 sup 1 sup 0 to 5.5x10 sup 1 sup 2 ions/cm sup 2 and different electronic energy loss from 0.77 to 11.5 keV/nm. The FTIR results show the absorbance of the typical function group decrease exponentially as a function of fluence. The alkyne end group was found after irradiation and its formation radii were 5.6 and 5.9 nm corresponding to 8.8 and 11.5 keV/nm Xe irradiation respectively. UV/Vis analysis indicates the radiation induced...

  8. Performance and cost of energy transport and storage systems for dish applications using reversible chemical reactions

    Science.gov (United States)

    Schredder, J. M.; Fujita, T.

    1984-01-01

    The use of reversible chemical reactions for energy transport and storage for parabolic dish networks is considered. Performance and cost characteristics are estimated for systems using three reactions (sulfur-trioxide decomposition, steam reforming of methane, and carbon-dioxide reforming of methane). Systems are considered with and without storage, and in several energy-delivery configurations that give different profiles of energy delivered versus temperature. Cost estimates are derived assuming the use of metal components and of advanced ceramics. (The latter reduces the costs by three- to five-fold). The process that led to the selection of the three reactions is described, and the effects of varying temperatures, pressures, and heat exchanger sizes are addressed. A state-of-the-art survey was performed as part of this study. As a result of this survey, it appears that formidable technical risks exist for any attempt to implement the systems analyzed in this study, especially in the area of reactor design and performance. The behavior of all components and complete systems under thermal energy transients is very poorly understood. This study indicates that thermochemical storage systems that store reactants as liquids have efficiencies below 60%, which is in agreement with the findings of earlier investigators.

  9. Significant Breakthrough in Industrial Test of the "Methanol to Olefins" Process Developed by Dalian Institute of Chemical Physics, Chinese Academy of Sciences

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    @@ A process of "Methanol or Dimethylether to Olefins" developed by Dalian Institute of Chemical Physics (DICP), designated as the DMTO process, has attained great success in industrial scaling up testing. DICP, by collaborating with the Xinxing Coal Chemical Co., Ltd. of Shaanxi Province and the Luoyang Petrochemical Engineering Co. of the SINOPEC Group, operated successfully a 50t(methanol)/d unit for the conversion of methanol to lower olefins, with a methanol conversion of close to 100%, and a selectivity to lower olefins(ethylene, propylene and butylenes) of higher than 90%. On 23rd August, the industrial test project has passed a state appraisal. The experts of the Appraisal Group, headed by Prof.

  10. Cycle Evaluations of Reversible Chemical Reactions for Solar Thermochemical Energy Storage in Support of Concentrating Solar Power Generation Systems

    Energy Technology Data Exchange (ETDEWEB)

    Krishnan, Shankar; Palo, Daniel R.; Wegeng, Robert S.

    2010-07-25

    The production and storage of thermochemical energy is a possible route to increase capacity factors and reduce the Levelized Cost of Electricity from concentrated solar power generation systems. In this paper, we present the results of cycle evaluations for various thermochemical cycles, including a well-documented ammonia closed-cycle along with open- and closed-cycle versions of hydrocarbon chemical reactions. Among the available reversible hydrocarbon chemical reactions, catalytic reforming-methanation cycles are considered; specifically, various methane-steam reforming cycles are compared to the ammonia cycle. In some cases, the production of an intermediate chemical, methanol, is also included with some benefit being realized. The best case, based on overall power generation efficiency and overall plant capacity factor, was found to be an open cycle including methane-steam reforming, using concentrated solar energy to increase the chemical energy content of the reacting stream, followed by combustion to generate heat for the heat engine.

  11. Energy Transfer from Phycobilisomes to Photosystems of Nostoc flagelliforme Born. et Flah. During the Rewetting Course and Its Physiological Significance

    Institute of Scientific and Technical Information of China (English)

    Hui HUANG; Ke-Zhi BAI; Ze-Pu ZHONG; Liang-Bi LI; Ting-Yun KUANG

    2005-01-01

    During the non-frost season, the condensation of dew makes Nostocflagelliforme Born. et Flah., a highly drought-tolerant terrestrial cyanobacterium, frequently undergo rehydration-dehydration.Rehydration begins in the dark at night. After rewetting in the dark, photochemical activity and the structure of photosystem (PS) Ⅱ were not recovered at all; the structure of PSⅠ, energy transfer in phycobilisomes, and energy transfer from phycobilisomes to PSⅠ were recovered within 5 min, as in the light. The recovery of energy transfer from phycobilisomes to PSⅡ was light dependent and energy transfer from phycobilisomes to PSⅡ was only partially recovered in the dark. These results suggest that the two-trigger control (water and light) of photosynthetic recovery may make N. flagelliforme avoid unnecessary energy consumption and, at the same time, the partial recovery of energy transfer from phycobilisomes to PSⅡ in the dark could help N. flagelliforme accumulate more photosynthetic products during the transient period of rehydrationdehydration.

  12. Carbon Dioxide Extraction from the Atmosphere Through Engineered Chemical Sinkage: Enabling Energy and Environmental Security

    Science.gov (United States)

    Dubey, M. K.; Ziock, H.; Rueff, G.; Smith, W. S.; Colman, J.; Elliott, S.; Lackner, K.; Johnston, N. A.

    2002-05-01

    We present the case for carbon dioxide (CO2) extraction from air using engineered chemical sinks as a means of sustaining fossil energy use by avoiding climate change. Existing carbon sequestration strategies such as CO2 injection into geologic formations or the deep ocean and mineral carbonation, require a pure stream of concentrated CO2 to be viable. Furthermore, current emphasis on reducing the global CO2 emissions is on large centralized power plants. However, more than half of all emissions are from the transportation sector and small, distributed sources such as home heating, etc. Most solutions for dealing with these sources explicitly or implicitly entail completely overhauling the existing infrastructure. To solve these problems, Los Alamos National Laboratory has conceived a novel approach for directly extracting CO2 from the atmosphere. Direct extraction converts the dilute CO2 (370 parts per million) in the atmosphere into a pure CO2 stream ready for permanent sequestration. It provides the following advantages: (1) Preserves our existing energy use and fuel distribution systems, which represent a large investment, (2) Indirectly captures CO2 from the myriad of small, distributed, and mobile sources that otherwise are not accessible to sequestration, (3) Allows atmospheric CO2 levels to be restored to their pre-industrial age value, (4) Provides free transport of CO2 to suitable sequestration sites by using natural atmospheric circulation, and (5) Is relatively compact and therefore inexpensive when compared to renewable concepts. Our concept harnesses atmospheric circulation to transport CO2 to sites where the CO2 is extracted by binding it to an adsorbent. The bound CO2 is then recovered as pure gas by heating together with the solid adsorbent that is recycled. As a proof of concept, we show that an aqueous Ca(OH)2 solution efficiently converts CO2 to a CaCO3 solid that can be heated to obtain pure CO2 and recover the CaO. Even with recycling costs

  13. Low Energy Effective Theory of QCD at High Isospin Chemical Potential

    CERN Document Server

    Cohen, Thomas D

    2015-01-01

    The goal of this paper is to arrive at a low energy effective theory of QCD with two massless flavors of quarks at very high isospin density and zero baryon density. In a seminal paper by Son and Stephanov in the year 2001, it was conjectured that the low energy dynamics of QCD with two light flavors at asymptotically high isospin density was described by that of a pure Yang-Mills effective Lagrangian. Since the existence of a first order deconfinement phase transition with increasing temperature is a feature of every pure SU(N) Yang-Mills theory with N greater than or equal to 3, the regime considered in this paper is also expected to exhibit a first order deconfinement phase transition with increasing temperature. However, the low energy constants(LEC) of this pure Yang-Mills theory have not been calculated till date. We calculate the LEC s for this effective theory which in turn enables us to calculate the critical temperature of the deconfinement transition as a function of the isospin chemical potential ...

  14. Fully solar-powered photoelectrochemical conversion for simultaneous energy storage and chemical sensing.

    Science.gov (United States)

    Wang, Yongcheng; Tang, Jing; Peng, Zheng; Wang, Yuhang; Jia, Dingsi; Kong, Biao; Elzatahry, Ahmed A; Zhao, Dongyuan; Zheng, Gengfeng

    2014-06-11

    We report the development of a multifunctional, solar-powered photoelectrochemical (PEC)-pseudocapacitive-sensing material system for simultaneous solar energy conversion, electrochemical energy storage, and chemical detection. The TiO2 nanowire/NiO nanoflakes and the Si nanowire/Pt nanoparticle composites are used as photoanodes and photocathodes, respectively. A stable open-circuit voltage of ∼0.45 V and a high pseudocapacitance of up to ∼455 F g(-1) are obtained, which also exhibit a repeating charging-discharging capability. The PEC-pseudocapacitive device is fully solar powered, without the need of any external power supply. Moreover, this TiO2 nanowire/NiO nanoflake composite photoanode exhibits excellent glucose sensitivity and selectivity. Under the sun light illumination, the PEC photocurrent shows a sensitive increase upon different glucose additions. Meanwhile in the dark, the open-circuit voltage of the charged pseudocapacitor also exhibits a corresponding signal over glucose analyte, thus serving as a full solar-powered energy conversion-storage-utilization system. PMID:24823370

  15. Chemical composition and metabolizable energy values of feedstuffs for broiler chickens

    Directory of Open Access Journals (Sweden)

    Eliane Aparecida da Silva

    2012-03-01

    Full Text Available The objective of this study was to estimate the values of apparent metabolizable energy and apparent metabolizable energy corrected for nitrogen balance and determine the chemical composition of the following feedstuffs: babassu meal, sunflower meal, corn gluten meal, babassu starch flour, meat and bones meal, beans, millet, cookies residue, pasta residue and bread-making residue. The traditional method of excreta collection was used with broilers in the period of 14 to 24 days of age, which were distributed in a completely randomized design with eleven treatments and six replicates of six birds each. Each feedstuff replaced the reference diet at levels of 30 or 40% depending on the type of feedstuff. Chicks were housed in cages fitted with trays to collect the excreta. The apparent metabolizable energy corrected for nitrogen balance (kcal/kg on the natural matter of feedstuffs were: babassu meal, 1,116; sunflower meal, 1,607; corn gluten meal, 3,826; babassu flour starch, 1,731; meat and bone flour, 2,524; common beans, 693; millet, 3,046; cookies residue, 3,351; pasta residue, 3,543 and bread-making residue, 3,494.

  16. Ultra high energy cosmic rays: implications of Auger data for source spectra and chemical composition

    Energy Technology Data Exchange (ETDEWEB)

    Aloisio, R.; Blasi, P. [INAF/Osservatorio Astrofisico di Arcetri, Largo E. Fermi, 5—50125 Firenze (Italy); Berezinsky, V., E-mail: aloisio@arcetri.astro.it, E-mail: berezinsky@lngs.infn.it, E-mail: blasi@arcetri.astro.it [Gran Sasso Science Institute (INFN), viale F. Crispi 7, 67100 L' Aquila (Italy)

    2014-10-01

    We use a kinetic-equation approach to describe the propagation of ultra high energy cosmic ray protons and nuclei and calculate the expected spectra and mass composition at the Earth for different assumptions on the source injection spectra and chemical abundances. When compared with the spectrum, the elongation rate X{sub max}(E) and dispersion σ(X{sub max}) as observed with the Pierre Auger Observatory, several important consequences can be drawn: a) the injection spectra of nuclei must be very hard, ∼ E{sup -γ} with γ∼ 1- 1.6; b) the maximum energy of nuclei of charge Z in the sources must be ∼ 5Z× 10{sup 18} eV, thereby not requiring acceleration to extremely high energies; c) the fit to the Auger spectrum can be obtained only at the price of adding an ad hoc light extragalactic component with a steep injection spectrum ∼ E{sup -2.7}). In this sense, at the ankle E{sub A}≈ 5× 10{sup 18} eV) all the components are of extragalactic origin, thereby suggesting that the transition from Galactic to extragalactic cosmic rays occurs below the ankle. Interestingly, the additional light extragalactic component postulated above compares well, in terms of spectrum and normalization, with the one recently measured by KASCADE-Grande.

  17. Future US energy demands based upon traditional consumption patterns lead to requirements which significantly exceed domestic supply

    Science.gov (United States)

    1975-01-01

    Energy consumption in the United States has risen in response to both increasing population and to increasing levels of affluence. Depletion of domestic energy reserves requires consumption modulation, production of fossil fuels, more efficient conversion techniques, and large scale transitions to non-fossile fuel energy sources. Widening disparity between the wealthy and poor nations of the world contributes to trends that increase the likelihood of group action by the lesser developed countries to achieve political and economic goals. The formation of anticartel cartels is envisioned.

  18. The isotype ZnO/SiC heterojunction prepared by molecular beam epitaxy--A chemical inert interface with significant band discontinuities.

    Science.gov (United States)

    Zhang, Yufeng; Lin, Nanying; Li, Yaping; Wang, Xiaodan; Wang, Huiqiong; Kang, Junyong; Wilks, Regan; Bär, Marcus; Mu, Rui

    2016-01-01

    ZnO/SiC heterojunctions show great potential for various optoelectronic applications (e.g., ultraviolet light emitting diodes, photodetectors, and solar cells). However, the lack of a detailed understanding of the ZnO/SiC interface prevents an efficient and rapid optimization of these devices. Here, intrinsic (but inherently n-type) ZnO were deposited via molecular beam epitaxy on n-type 6H-SiC single crystalline substrates. The chemical and electronic structure of the ZnO/SiC interfaces were characterized by ultraviolet/x-ray photoelectron spectroscopy and x-ray excited Auger electron spectroscopy. In contrast to the ZnO/SiC interface prepared by radio frequency magnetron sputtering, no willemite-like zinc silicate interface species is present at the MBE-ZnO/SiC interface. Furthermore, the valence band offset at the abrupt ZnO/SiC interface is experimentally determined to be (1.2 ± 0.3) eV, suggesting a conduction band offset of approximately 0.8 eV, thus explaining the reported excellent rectifying characteristics of isotype ZnO/SiC heterojunctions. These insights lead to a better comprehension of the ZnO/SiC interface and show that the choice of deposition route might offer a powerful means to tailor the chemical and electronic structures of the ZnO/SiC interface, which can eventually be utilized to optimize related devices. PMID:26976240

  19. Quantum chemical study of mechanisms of dissociation and isomerization reactions in some molecules and radicals of astrophysical significance: Cyanides and related molecules

    Indian Academy of Sciences (India)

    V P Gupta; Archina Sharma

    2006-09-01

    A theoretical study of the mechanism of photodecomposition in carbonyl cyanide, diethynyl ketone, acetyl cyanide and formyl cyanide has been conducted using density functional and MP2 theories. A complete analysis of the electronic spectra of these molecules in terms of nature, energy and intensity of electronic transitions has been provided by time-dependent density functional theory. Mixing coefficients and main configurations of the electronic states have been used to identify the states leading to the photodecomposition process. While the Rydberg state 1(n,3s) is involved in the dissociation of formyl cyanide and acetyl cyanide, the $^{*}_{CC} / ^{*}_{CN}$ states are involved in the case of carbonyl cyanide and diethynyl ketone. In all cases, however, stepwise decomposition process is preferred over the concerted reaction process. Based on potential energy curves for bond dissociation and the transition state and IRC studies, it is found that besides the direct dissociation of carbonyl cyanide, a photoisomerization process through a non-planar transition state may also occur resulting in the formation of a stable and planar isomer CNC(O)CN. A complete vibrational analysis of the higher energy isomer has been conducted and several new fundamental bands are predicted. Some of the earlier experimental results on the photodecomposition mechanism and energies of photofragments in carbonyl cyanide and acetyl cyanide have also been rationalized.

  20. Molecular Dynamics Study of Thermally Augmented Nanodroplet Motion on Chemical Energy Induced Wettability Gradient Surfaces.

    Science.gov (United States)

    Chakraborty, Monojit; Chowdhury, Anamika; Bhusan, Richa; DasGupta, Sunando

    2015-10-20

    Droplet motion on a surface with chemical energy induced wettability gradient has been simulated using molecular dynamics (MD) simulation to highlight the underlying physics of molecular movement near the solid-liquid interface including the contact line friction. The simulations mimic experiments in a comprehensive manner wherein microsized droplets are propelled by the surface wettability gradient against forces opposed to motion. The liquid-wall Lennard-Jones interaction parameter and the substrate temperature are varied to explore their effects on the three-phase contact line friction coefficient. The contact line friction is observed to be a strong function of temperature at atomistic scales, confirming their experimentally observed inverse functionality. Additionally, the MD simulation results are successfully compared with those from an analytical model for self-propelled droplet motion on gradient surfaces. PMID:26381847

  1. About chemical composition of the primary cosmic radiation at ultra-high energies

    CERN Document Server

    Dedenko, T M Roganova L G; Fedorova, G F; Knurenko, S P; Makarov, I T; Podgrudkov, D A; Pravdin, M I; Sleptzov, I Ye

    2009-01-01

    The fluxes of electrons, positrons, gammas, Cherenkov photons and muons in individual extensive air showers induced by the primary protons and helium, oxygen and iron nuclei at the level of observation have been estimated with help of the code CORSICA 6.616. The comparison show that the values of the function Xi**2 per one degree of freedom changes from 1.1 for iron nuclei to 0.9 for primary protons. As this difference is small all readings of detectors of the Vavilov-Cherenkov radiation have been used. At last, readings of underground detectors of muons with energies above 1 GeV have been exploited to make definite conclusion about chemical composition.

  2. EFFECT OF A HIGH-ENERGY DIET AND CHEMICAL COMPOUNDS ON THE DEVELOPMENT OF OBEITY

    Directory of Open Access Journals (Sweden)

    A.Djalayer

    1977-12-01

    Full Text Available The mechanism of the genesis and development of obesity is not yet known. In particular, it is not known whether the main reason is and increase in energetic efficiency, i.e. better utilization of food consumed, or hyperplasia. This study was undertaken to throw some light on this subject. Obesity was produced by chemical methods, i.e. by injections of gold-thioglucose and mono-sodium glutamate, as well as by feeding a high energy (high-fat-high-protein diet, in weanling, female mice. In these mice food intake, growth rate and body composition changes during growth were investigated. The results obtained show that increased energetic efficiency rather and hyperplasia plays the dominant role in the genesis and development of obesity. More research has to be carried out on this subject in man.

  3. Single-collision studies of hot atom energy transfer and chemical reaction

    International Nuclear Information System (INIS)

    This report discusses research in the collision dynamics of translationally hot atoms, with funding with DOE for the project ''Single-Collision Studies of Hot Atom Energy Transfer and Chemical Reaction,'' Grant Number DE-FG03-85ER13453. The work reported here was done during the period September 9, 1988 through October 31, 1991. During this period this DOE-funded work has been focused on several different efforts: (1) experimental studies of the state-to-state dynamics of the H + RH → H2 R reactions where RH is CH4, C2H6, or C3H8, (2) theoretical (quasiclassical trajectory) studies of hot hydrogen atom collision dynamics, (3) the development of photochemical sources of translationally hot molecular free radicals and characterization of the high resolution CARS spectroscopy of molecular free radicals, (4) the implementation of stimulated Raman excitation (SRE) techniques for the preparation of vibrationally state-selected molecular reactants

  4. A biological/chemical process for reduced waste and energy consumption: caprolactam production. Final report

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-05-01

    A biological/chemical process for converting cyclohexane into caprolactam was investigated: microorganisms in a bioreactor would be used to convert cyclohexane into caprolactone followed by chemical synthesis of caprolactam using ammonia. Four microorganisms were isolated from natural soil and water, that can utilize cyclohexane as a sole source of C and energy for growth. They were shown to have the correct metabolic intermediates and enzymes to convert cyclohexane into cyclohexanol, cyclohexanone, and caprolactone. Genetic techniques to create and select for caprolactone hydrolase negative-mutants were developed; those are used to convert cyclohexane into caprolactone but, because of the block, are unable to metabolize the caprolactone further. Because of a new nylon carpet reycle process and the long time frame for a totally new bioprocess, a limited study was done to evaluate whether a simplified bioprocess to convert cyclohexanol into cyclohexanone or caprolactone was feasible; growth rates and key enzyme levels were measured in a collection of microorganisms that metabolize cyclohexanol to determine if the bioactivity is high enough to support an economical cyclohexanol bioprocess. Although these microorganisms had sufficient bioactivity, they could tolerate only low levels (<1%) of cyclohexanol and thus are not suitable for developing a cost effective bioprocess because of the high cost of dilute product recovery.

  5. PREDICTION OF CHEMICAL COMPOSITION AND ENERGY VALUE OF GRASS SILAGE BY NEAR-INFRARED REFLECTANCE SPECTROSCOPY

    Directory of Open Access Journals (Sweden)

    TOMAŽ ŽNIDARŠIČ

    2006-10-01

    Full Text Available One hundred and eighteen grass silage samples with known chemical composition and in vitro determined concentration of net energy for lactation (NEL were scanned over the wavelength range from 1100 to 2500 nm at 8 nm intervals. Calibration equations for the prediction of crude protein (CP, crude fi bre (CF, crude fat (F, crude ash (A, dry matter of air-dried samples (DM and NEL were developed by the use of principal component analysis (PCA and modifi ed partial least squares regression technique (mPLS. NIRS demonstrated high predictive ability for CP (R2 = 0.97, CF (R2 = 0.96 and A (R2 = 0.94. Moderate accuracy was characteristic for F and DM (R2 = 0.81 and 0.79. Crude protein, F and DM deviations from reference methods were comparable to those which are expected by the use of the same reference methods in different laboratories. The determination coeffi cient for in vitro assessed NEL concentration was 0.76. Seventy-seven percent of samples lied within acceptable limits of ± 0.3 MJ NEL kg-1DM. Suboptimal sample distribution, i.e. small number of samples in classes below 4.6 and above 6.0 MJ NEL kg-1DM was observed. It seems that deviations of NIRS predicted values from the reference values were related to the concentration of NEL. It was concluded that NIRS shows the potential for reliable determination of chemical composition and energy value of grass silage.

  6. Nuclear and energies Nr 59/June 2012 - Synthesis of significant events from December 2011 until May 2012

    International Nuclear Information System (INIS)

    A first article comments the fact that, fifteen months after the Fukushima accident, two reactors are about to start again. In two articles dealing with energy, a first one comments the recent evolution of the energy sector (oil market, gas market, European energy) and a second one addresses current events in the sector of renewable energies: in the solar sector (the Photowatt affair, the Myrte and STARS projects), in the offshore wind sector (bidding in France and in Great-Britain). Dealing with the nuclear sector, a first article deals with the uranium market (from mine to fuel) and with AREVA activities in different countries. A second article proposes an overview of world perspectives for nuclear reactors, of nuclear activity in France (energy policy, nuclear safety, the issue of the Fessenheim power station, the EPR in Flamanville, the ATMEA project) and in various countries in Europe (Finland, Great Britain, Germany, Lithuania, Netherlands, Russia, Belarus, Czech Republic, Poland, Switzerland, Spain, Romania), in the United States, China, South Korea, Japan, India, Armenia, Vietnam, Jordan, and South Africa. The last articles address the relationship between nuclear and society (during the presidential campaign in France, in different reports, in the summit on nuclear safety, in Germany where phasing out nuclear raises problems), the impact of nuclear on the environment (situation in France, incidents in different French nuclear installations, and briefly in other countries like Germany, Great-Britain, Spain, Eastern Europe, Ukraine, Iran, China, Japan, Taiwan, USA), and the development of Pb-212-based radio-immunotherapy by Areva Med

  7. Kirkwood-Buff Integrals for Aqueous Urea Solutions Based upon the Quantum Chemical Electrostatic Potential and Interaction Energies.

    Science.gov (United States)

    Chiba, Shuntaro; Furuta, Tadaomi; Shimizu, Seishi

    2016-08-11

    Cosolvents, such as urea, affect protein folding and binding, and the solubility of solutes. The modeling of cosolvents has been facilitated significantly by the rigorous Kirkwood-Buff (KB) theory of solutions, which can describe structural thermodynamics over the entire composition range of aqueous cosolvent mixtures based only on the solution density and the KB integrals (KBIs), i.e., the net excess radial distribution functions from the bulk. Using KBIs to describe solution thermodynamics has given rise to a clear guideline that an accurate prediction of KBIs is equivalent to accurate modeling of cosolvents. Taking urea as an example, here we demonstrate that an improvement in the prediction of KBIs comes from an improved reproduction of high-level quantum chemical (QC) electrostatic potential and molecular pairwise interaction energies. This rational approach to the improvement of the KBI prediction stems from a comparison of existing force fields, AMOEBA, and the generalized AMBER force field, as well as the further optimization of the former to enable better agreement with QC interaction energies. Such improvements would pave the way toward a rational and systematic determination of the transferable force field parameters for a number of important small molecule cosolvents. PMID:27434200

  8. Indonesia-China Energy Trade: Analyzing Global and Domestic Political Economic Significance in Indonesia-China LNG Trade

    OpenAIRE

    Badaruddin, Muhammad

    2013-01-01

    Indonesia had been the largest LNG exporter for almost three decades since 1977 to 2005. During 1970s and 1980s, Indonesia’s energy industry boosted its economic growth that valued 80% of the country’s annual exports and 70% of its annual revenues. Meanwhile, Indonesia presents an exceptional case since it decreases its LNG export while it has been developing its largest LNG plant in Tangguh due to prioritizing domestic energy demand. But, since Indonesia eagerly links its economy to China, i...

  9. Measurement of the chemical composition of the ultra-high-energy cosmic rays with the Pierre Auger Observatory

    CERN Document Server

    Plum, Matthias

    2013-01-01

    The Pierre Auger Observatory infers the chemical composition of ultra-high-energy cosmic rays through two independent detection techniques. The Fluorescence Detector (FD) measures the longitudinal profile of high energy air showers and can determine the depth of the shower maximum $X_{max}$, which is sensitive to the chemical composition of the primary cosmic rays. Additionally, measurements by the Surface Detector (SD) provide independent experimental observables based on the muonic shower component to analyze the chemical composition. We present the results for the $X_{max}$ distributions and the mass composition results measured by the FD and the SD for the energies $E \\geq 10^{18}$\\,eV. The data will be compared with the expectations for proton and iron primaries according to different hadronic interaction models.

  10. Significant enhancement of the electrical transport properties of graphene films by controlling the surface roughness of Cu foils before and during chemical vapor deposition

    Science.gov (United States)

    Lee, Dongmok; Kwon, Gi Duk; Kim, Jung Ho; Moyen, Eric; Lee, Young Hee; Baik, Seunghyun; Pribat, Didier

    2014-10-01

    We have studied the influence of the surface roughness of copper foils on the sheet resistance of graphene sheets grown by chemical vapor deposition. The surface roughness of the copper foils was reproducibly controlled by electropolishing. We have found that the graphene sheet resistance monotonically decreases as the surface roughness of the copper foils decreases. We show that a pre-annealing treatment combined with an optimized electropolishing process of the Cu foils and a fast CVD growth prevents the evolution of the Cu surface roughness during graphene synthesis. This combination of fabrication conditions produces small grain polycrystalline graphene films with a sheet resistance of 210 Ω □-1 and carrier mobility values as high as 5450 cm2 V-1 s-1 after transfer onto SiO2/Si.We have studied the influence of the surface roughness of copper foils on the sheet resistance of graphene sheets grown by chemical vapor deposition. The surface roughness of the copper foils was reproducibly controlled by electropolishing. We have found that the graphene sheet resistance monotonically decreases as the surface roughness of the copper foils decreases. We show that a pre-annealing treatment combined with an optimized electropolishing process of the Cu foils and a fast CVD growth prevents the evolution of the Cu surface roughness during graphene synthesis. This combination of fabrication conditions produces small grain polycrystalline graphene films with a sheet resistance of 210 Ω □-1 and carrier mobility values as high as 5450 cm2 V-1 s-1 after transfer onto SiO2/Si. Electronic supplementary information (ESI) available: Developed AFM profiles, evaporation induced planarization effect of Cu foils, EBSD analysis of a polycrystalline Cu foils, XPS spectra on RAW, EP and O-EP samples, Raman area map of the D-to-G mode intensity ratio of A-EP sample, Evaluation of the sheet resistance variation as a function of grain size, Optical images of a Cu foil before and after

  11. Chemical Assignment of Symmetry-Adapted Perturbation Theory Interaction Energy Components: The Functional-Group SAPT Partition.

    Science.gov (United States)

    Parrish, Robert M; Parker, Trent M; Sherrill, C David

    2014-10-14

    Recently, we introduced an effective atom-pairwise partition of the many-body symmetry-adapted perturbation theory (SAPT) interaction energy decomposition, producing a method known as atomic SAPT (A-SAPT) [Parrish, R. M.; Sherrill, C. D. J. Chem. Phys. 2014, 141, 044115]. A-SAPT provides ab initio atom-pair potentials for force field development and also automatic visualizations of the spatial contributions of noncovalent interactions, but often has difficulty producing chemically useful partitions of the electrostatic energy, due to the buildup of oscillating partial charges on adjacent functional groups. In this work, we substitute chemical functional groups in place of atoms as the relevant local quasiparticles in the partition, resulting in a functional-group-pairwise partition denoted as functional-group SAPT (F-SAPT). F-SAPT assigns integral sets of local occupied electronic orbitals and protons to chemical functional groups and linking σ bonds. Link-bond contributions can be further assigned to chemical functional groups to simplify the analysis. This approach yields a SAPT partition between pairs of functional groups with integral charge (usually neutral), preventing oscillations in the electrostatic partition. F-SAPT qualitatively matches chemical intuition and the cut-and-cap fragmentation technique but additionally yields the quantitative many-body SAPT interaction energy. The conceptual simplicity, chemical utility, and computational efficiency of F-SAPT is demonstrated in the context of phenol dimer, proflavine(+)-DNA intercalation, and a cucurbituril host-guest inclusion complex. PMID:26588139

  12. Significance of international hydropower storages for the German energy turnaround; Bedeutung der internationalen Wasserkraftspeicherung fuer die deutsche Energiewende

    Energy Technology Data Exchange (ETDEWEB)

    Hobohm, Jens; Ess, Florian [Prognos AG, Berlin (Germany)

    2013-01-15

    Prediction is very difficult, especially if it's about the future. This witticism, which has been alternatively ascribed to Mark Twain, Karl Valentin, Niels Bohr and Winston Churchill, could hardly be truer than when applied to the wind and sun, especially in the case of long-term forecasts. Wind power and photovoltaic plant capacities are what needs to grow most if renewable energies really are to cover 80% of Germany's energy supply by the year 2050. Other renewable energy resources do not have the potential to contribute substantially to achieving the goals proclaimed by the German federal government. Some 64% of electricity production and 70% of installed power capacity will be coming from the wind and sun in the year 2050, according to recent calculations. A study prepared by Prognos AG on behalf of the German National Committee of the World Energy Council has investigated the question as to what extent international hydropower storages are capable of taking up surplus electricity and holding it available as a power reserve.

  13. Elementary electron-molecule interactions and negative ion resonances at subexcitation energies and their significance in gaseous dielectrics

    International Nuclear Information System (INIS)

    Recent knowledge on low-energy (mostly approximately less than 10 eV) electron-molecule interaction processes in dilute and in dense gases is synthesized, discussed, and related to the breakdown strength of gaseous dielectrics. Optimal design of multicomponent gaseous insulators can be made on the basis of such knowledge

  14. Quantum chemical calculations of bond dissociation energies for COOH scission and electronic structure in some acids

    Institute of Scientific and Technical Information of China (English)

    Zeng Hui; Zhao Jun; Xiao Xun

    2013-01-01

    Quantum chemical calculations are performed to investigate the equilibrium C-COOH bond distances and the bond dissociation energies (BDEs) for 15 acids.These compounds are studied by utilizing the hybrid density functional theory (DFT) (B3LYP,B3PW91,B3P86,PBE1PBE) and the complete basis set (CBS-Q) method in conjunction with the 6-31 lG** basis as DFT methods have been found to have low basis sets sensitivity for small and medium molecules in our previous work.Comparisons between the computational results and the experimental values reveal that CBS-Q method,which can produce reasonable BDEs for some systems in our previous work,seems unable to predict accurate BDEs here.However,the B3P86 calculated results accord very well with the experimental values,within an average absolute error of 2.3 kcal/mol.Thus,B3P86 method is suitable for computing the reliable BDEs of C-COOH bond for carboxylic acid compounds.In addition,the energy gaps between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of studied compounds are estimated,based on which the relative thermal stabilities of the studied acids are also discussed.

  15. Plasmonic hot carrier dynamics in solid-state and chemical systems for energy conversion

    Directory of Open Access Journals (Sweden)

    Narang Prineha

    2016-06-01

    Full Text Available Surface plasmons provide a pathway to efficiently absorb and confine light in metallic nanostructures, thereby bridging photonics to the nano scale. The decay of surface plasmons generates energetic ‘hot’ carriers, which can drive chemical reactions or be injected into semiconductors for nano-scale photochemical or photovoltaic energy conversion. Novel plasmonic hot carrier devices and architectures continue to be demonstrated, but the complexity of the underlying processes make a complete microscopic understanding of all the mechanisms and design considerations for such devices extremely challenging.Here,we review the theoretical and computational efforts to understand and model plasmonic hot carrier devices.We split the problem into three steps: hot carrier generation, transport and collection, and review theoretical approaches with the appropriate level of detail for each step along with their predictions.We identify the key advances necessary to complete the microscopic mechanistic picture and facilitate the design of the next generation of devices and materials for plasmonic energy conversion.

  16. Quantum chemical calculations of bond dissociation energies for COOH scission and electronic structure in some acids

    International Nuclear Information System (INIS)

    Quantum chemical calculations are performed to investigate the equilibrium C—COOH bond distances and the bond dissociation energies (BDEs) for 15 acids. These compounds are studied by utilizing the hybrid density functional theory (DFT) (B3LYP, B3PW91, B3P86, PBE1PBE) and the complete basis set (CBS—Q) method in conjunction with the 6-311G** basis as DFT methods have been found to have low basis sets sensitivity for small and medium molecules in our previous work. Comparisons between the computational results and the experimental values reveal that CBS—Q method, which can produce reasonable BDEs for some systems in our previous work, seems unable to predict accurate BDEs here. However, the B3P86 calculated results accord very well with the experimental values, within an average absolute error of 2.3 kcal/mol. Thus, B3P86 method is suitable for computing the reliable BDEs of C—COOH bond for carboxylic acid compounds. In addition, the energy gaps between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of studied compounds are estimated, based on which the relative thermal stabilities of the studied acids are also discussed. (atomic and molecular physics)

  17. Effect of biomass feedstock chemical and physical properties on energy conversion processes: Volume 2, Appendices

    Energy Technology Data Exchange (ETDEWEB)

    Butner, R.S.; Elliott, D.C.; Sealock, L.J., Jr.; Pyne, J.W.

    1988-12-01

    This report presents an exploration of the relationships between biomass feedstocks and the conversion processes that utilize them. Specifically, it discusses the effect of the physical and chemical structure of biomass on conversion yields, rates, and efficiencies in a wide variety of available or experimental conversion processes. A greater understanding of the complex relationships between these conversion systems and the production of biomass for energy uses is required to help optimize the complex network of biomass production, collection, transportation, and conversion to useful energy products. The review of the literature confirmed the scarcity of research aimed specifically at identifying the effect of feedstock properties on conversion. In most cases, any mention of feedstock-related effects was limited to a few brief remarks (usually in qualitative terms) in the conclusions, or as a topic for further research. Attempts to determine the importance of feedstock parameters from published data were further hampered by the lack of consistent feedstock characterization and the difficulty of comparing results between different experimental systems. Further research will be required to establish quantitative relationships between feedstocks and performance criteria in conversion. 127 refs., 4 figs., 7 tabs.

  18. Nanoscale metals and semiconductors for the storage of solar energy in chemical bonds

    Science.gov (United States)

    Manthiram, Karthish

    The transduction of electrical energy into chemical bonds represents one potential strategy for storing energy derived from intermittent sources such as solar and wind. Driving the electrochemical reduction of carbon dioxide using light requires (1) developing light absorbers which convert photons into electron-hole pairs and (2) catalysts which utilize these electrons and holes to reduce carbon dioxide and oxidize water, respectively. For both the light absorbers and catalysts, the use of nanoscale particles is advantageous, as charge transport length scales are minimized in the case of nanoscale light absorbers and catalytic surface-area-to-volume ratio is maximized for nanoscale catalysts. In many cases, although semiconductors and metals in the form of thin films and foils are increasingly well-characterized as photoabsorbers and electrocatalysts for carbon dioxide reduction, respectively, the properties of their nanoscale counterparts remain poorly understood. This dissertation explores the nature of the light absorption mode of non-stoichiometric semiconductors which are utilized as light absorbers and the development of catalysts with enhanced stability, activity, and selectivity for carbon dioxide reduction. Chapter 1 provides an overview of the state of development of methods of transducing the energy of photons into chemical bonds. Chapters 2 and 3 investigate the development of stable, active, and selective catalysts for the electrochemical reduction of carbon dioxide. Chapter 2 examines how copper nanoparticles have enhanced activities and selectivities for methanation compared to copper foils. Chapter 3 focuses on the development of strategies to stabilize high-surface-area catalysts to prevent surface area loss during electrochemical carbon dioxide reduction. Chapters 4 and 5 entail a fundamental understanding of the light absorption mode of nanoscale photoabsorbers used in both photoelectrochemical cells and in photovoltaics. Chapter 4 focuses on the

  19. Chemical Reaction CO+OH(•) → CO2+H(•) Autocatalyzed by Carbon Dioxide: Quantum Chemical Study of the Potential Energy Surfaces.

    Science.gov (United States)

    Masunov, Artëm E; Wait, Elizabeth; Vasu, Subith S

    2016-08-01

    The supercritical carbon dioxide medium, used to increase efficiency in oxy combustion fossil energy technology, may drastically alter both rates and mechanisms of chemical reactions. Here we investigate potential energy surface of the second most important combustion reaction with quantum chemistry methods. Two types of effects are reported: formation of the covalent intermediates and formation of van der Waals complexes by spectator CO2 molecule. While spectator molecule alter the activation barrier only slightly, the covalent bonding opens a new reaction pathway. The mechanism includes sequential covalent binding of CO2 to OH radical and CO molecule, hydrogen transfer from oxygen to carbon atoms, and CH bond dissociation. This reduces the activation barrier by 11 kcal/mol at the rate-determining step and is expected to accelerate the reaction rate. The finding of predicted catalytic effect is expected to play an important role not only in combustion but also in a broad array of chemical processes taking place in supercritical CO2 medium. It may open a new venue for controlling reaction rates for chemical manufacturing. PMID:27351778

  20. Turtles and culverts, and alternative energy development: an unreported but potentially significant mortality threat to the desert tortoise (Gopherus agassizii)

    Science.gov (United States)

    Lovich, J.E.; Ennen, J.R.; Madrak, S.; Grover, B.

    2011-01-01

    Culverts are often used to increase the permeability of roaded landscapes for wildlife, including turtles. Although the benefits of culverts as safe passages for turtles are well documented, under some conditions culverts can entrap them and cause mortality. Here we report a culvert-related mortality in the federally threatened desert tortoise (Gopherus agassizii) at a wind energy facility in California and offer simple recommendations to mitigate the negative effects of culverts for wildlife in general.

  1. Effect of dry oxidation on the energy gap and chemical composition of CVD graphene on nickel

    Energy Technology Data Exchange (ETDEWEB)

    Aria, Adrianus I. [Graduate Aeronautical Laboratories, California Institute of Technology, Pasadena, CA 91125 (United States); Gani, Adi W. [Department of Electrical Engineering, California Institute of Technology, Pasadena, CA 91125 (United States); Gharib, Morteza, E-mail: mgharib@caltech.edu [Graduate Aeronautical Laboratories, California Institute of Technology, Pasadena, CA 91125 (United States)

    2014-02-28

    The findings presented herein show that the electronic properties of CVD graphene on nickel can be altered from metallic to semiconducting by introducing oxygen adsorbates via UV/ozone or oxygen plasma treatment. These properties can be partially recovered by removing the oxygen adsorbates via vacuum annealing treatment. The effect of oxidation is studied by scanning tunneling microscopy/spectroscopy (STM/STS) and X-ray photoelectron spectroscopy (XPS). As probed by STM/STS, an energy gap opening of 0.11–0.15 eV is obtainable as the oxygen/carbon atomic ratio reaches 13–16%. The corresponding XPS spectra show a significant monotonic increase in the concentration of oxygenated functional groups due to the oxidation treatments. This study demonstrates that the opening of energy gap in CVD graphene can be reasonably controlled by a combination of UV/ozone or oxygen plasma treatment and vacuum annealing treatment.

  2. Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys

    International Nuclear Information System (INIS)

    A long-standing objective in materials research is to understand how energy is dissipated in both the electronic and atomic subsystems in irradiated materials, and how related non-equilibrium processes may affect defect dynamics and microstructure evolution. Here we show that alloy complexity in concentrated solid solution alloys having both an increasing number of principal elements and altered concentrations of specific elements can lead to substantial reduction in the electron mean free path and thermal conductivity, which has a significant impact on energy dissipation and consequentially on defect evolution during ion irradiation. Enhanced radiation resistance with increasing complexity from pure nickel to binary and to more complex quaternary solid solutions is observed under ion irradiation up to an average damage level of 1 displacement per atom. Understanding how materials properties can be tailored by alloy complexity and their influence on defect dynamics may pave the way for new principles for the design of radiation tolerant structural alloys

  3. Effect of dry oxidation on the energy gap and chemical composition of CVD graphene on nickel

    International Nuclear Information System (INIS)

    The findings presented herein show that the electronic properties of CVD graphene on nickel can be altered from metallic to semiconducting by introducing oxygen adsorbates via UV/ozone or oxygen plasma treatment. These properties can be partially recovered by removing the oxygen adsorbates via vacuum annealing treatment. The effect of oxidation is studied by scanning tunneling microscopy/spectroscopy (STM/STS) and X-ray photoelectron spectroscopy (XPS). As probed by STM/STS, an energy gap opening of 0.11–0.15 eV is obtainable as the oxygen/carbon atomic ratio reaches 13–16%. The corresponding XPS spectra show a significant monotonic increase in the concentration of oxygenated functional groups due to the oxidation treatments. This study demonstrates that the opening of energy gap in CVD graphene can be reasonably controlled by a combination of UV/ozone or oxygen plasma treatment and vacuum annealing treatment.

  4. Effect of dry oxidation on the energy gap and chemical composition of CVD graphene on nickel

    Science.gov (United States)

    Aria, Adrianus I.; Gani, Adi W.; Gharib, Morteza

    2014-02-01

    The findings presented herein show that the electronic properties of CVD graphene on nickel can be altered from metallic to semiconducting by introducing oxygen adsorbates via UV/ozone or oxygen plasma treatment. These properties can be partially recovered by removing the oxygen adsorbates via vacuum annealing treatment. The effect of oxidation is studied by scanning tunneling microscopy/spectroscopy (STM/STS) and X-ray photoelectron spectroscopy (XPS). As probed by STM/STS, an energy gap opening of 0.11-0.15 eV is obtainable as the oxygen/carbon atomic ratio reaches 13-16%. The corresponding XPS spectra show a significant monotonic increase in the concentration of oxygenated functional groups due to the oxidation treatments. This study demonstrates that the opening of energy gap in CVD graphene can be reasonably controlled by a combination of UV/ozone or oxygen plasma treatment and vacuum annealing treatment.

  5. Significant Collisions

    Institute of Scientific and Technical Information of China (English)

    YIN PUMIN

    2010-01-01

    @@ Two beams of subatomic particles,called hadrons, either protons or lead ions, successfully collided at the record-high energy level of 7 tril-lion electron volts, inside the Large Hadron Collider (LHC), the world's largest and most powerful particle accelerator, on March 30, 2010, as part of an experiment aimed at uncovering the origins of the universe.

  6. Chemical, dimensional and morphological ultrafine particle characterization from a waste-to-energy plant

    International Nuclear Information System (INIS)

    Highlights: → Particle size distributions and total concentrations measurement at the stack and before the fabric filter of an incinerator. → Chemical characterization of UFPs in terms of heavy metal concentration through a nuclear method. → Mineralogical investigation through a Transmission Electron Microscope equipped with an Energy Dispersive Spectrometer. → Heavy metal concentrations on UFPs as function of the boiling temperature. → Different mineralogical and morphological composition amongst samples collected before the fabric filter and at the stack. - Abstract: Waste combustion processes are responsible of particles and gaseous emissions. Referring to the particle emission, in the last years specific attention was paid to ultrafine particles (UFPs, diameter less than 0.1 μm), mainly emitted by combustion processes. In fact, recent findings of toxicological and epidemiological studies indicate that fine and ultrafine particles could represent a risk for health and environment. Therefore, it is necessary to quantify particle emissions from incinerators also to perform an exposure assessment for the human populations living in their surrounding areas. To these purposes, in the present work an experimental campaign aimed to monitor UFPs was carried out at the incineration plant in San Vittore del Lazio (Italy). Particle size distributions and total concentrations were measured both at the stack and before the fabric filter inlet in order to evaluate the removal efficiency of the filter in terms of UFPs. A chemical characterization of UFPs in terms of heavy metal concentration was performed through a nuclear method, i.e. Instrumental Neutron Activation Analysis (INAA), as well as a mineralogical investigation was carried out through a Transmission Electron Microscope (TEM) equipped with an Energy Dispersive Spectrometer (EDS) in order to evaluate shape, crystalline state and mineral compound of sampled particles. Maximum values of 2.7 x 107 part. cm-3

  7. Radiation thermo-chemical models of protoplanetary discs : III. Impact of inner rims on spectral energy distributions

    NARCIS (Netherlands)

    Thi, W. -F.; Woitke, P.; Kamp, I.

    2011-01-01

    We study the hydrostatic density structure of the inner disc rim around Herbig Ae stars using the thermo-chemical hydrostatic code prodimo. We compare the spectral energy distributions (SEDs) and images from our hydrostatic disc models to that from prescribed density structure discs. The 2D continuu

  8. Bio-based targeted chemical engineering education : Role and impact of bio-based energy and resourcedevelopment projects

    NARCIS (Netherlands)

    Márquez Luzardoa, N.M.; Venselaar, Jan

    2012-01-01

    Avans University of Applied Sciences is redrafting its courses and curricula in view of sustainability. For chemical engineering in particular that implies a focus on 'green' and bio-based processes, products and energy. Avans is situated in the Southwest region of the Netherlands and specifically i

  9. Chemical Composition of the Essential Oil and Diethyl Ether Extract of Trinia glauca (L.) Dumort. (Apiaceae) and the Chemotaxonomic Significance of 5-O-Methylvisamminol.

    Science.gov (United States)

    Radulović, Niko S; Đorđević, Miljana R; Dekić, Milan S; Blagojević, Polina D

    2016-04-01

    Analyses by GC, GC/MS, and NMR spectroscopy (1D- and 2D-experiments) of the essential oil and Et2 O extract of Trinia glauca (L.) Dumort. (Apiaceae) aerial parts allowed a successful identification of 220 constituents, in total. The major identified compounds of the essential oil were (Z)-falcarinol (10.6%), bicyclogermacrene (8.0%), germacrene D (7.4%), δ-cadinene (4.3%), and β-caryophyllene (3.2%), whereas (Z)-falcarinol (47.2%), nonacosane (7.4%), and 5-O-methylvisamminol (4.0%) were the dominant constituents of the extract of T. glauca. One significant difference between the compositions of the herein and the previously analyzed T. glauca essential oils (only two reports) was noted. (Z)-Falcarinol was the major constituent in our case, whereas germacrene D (14.4 and 19.6%) was the major component of the previously studied oils. Possible explanations for this discrepancy were discussed. 5-O-Methylvisamminol, a (furo)chromone identified in the extract of T. glauca, has a limited occurrence in the plant kingdom and is a possible excellent chemotaxonomic marker (family and/or subfamily level) for Apiaceae. PMID:26919331

  10. A quantum chemical study from a molecular perspective: ionization and electron attachment energies for species often used to fabricate single-molecule junctions

    CERN Document Server

    Baldea, Ioan

    2015-01-01

    The accurate determination of the lowest electron attachment ($EA$) and ionization ($IP$) energies for molecules embedded in molecular junctions is important for correctly estimating, \\emph{e.g.}, the magnitude of the currents ($I$) or the biases ($V$) where an $I-V$-curve exhibits a significant non-Ohmic behavior. Benchmark calculations for the lowest electron attachment and ionization energies of several typical molecules utilized to fabricate single-molecule junctions characterized by n-type conduction (4,4'-bipyridine, 1,4-dicyanobenzene, and 4,4'-dicyano-1,1'-biphenyl) and p-type conduction (benzenedithiol, biphenyldithiol, hexanemonothiol, and hexanedithiol] based on the EOM-CCSD (equation-of-motion coupled-cluster singles and doubles) state-of-the-art method of quantum chemistry are presented. They indicate significant differences from the results obtained within current approaches to molecular transport. The present study emphasizes that, in addition to a reliable quantum chemical method, basis sets m...

  11. X-ray Spectroscopy for Chemical and Energy Sciences. the Case of Heterogeneous Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Frenkel, A. I. [Brookhaven National Lab. (BNL), Upton, NY (United States); van Bokhoven, J. A. [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2014-09-01

    Heterogeneous catalysis is the enabling technology for much of the current and future processes relevant for energy conversion and chemicals synthesis. The development of new materials and processes is greatly helped by the understanding of the catalytic process at the molecular level on the macro/micro-kinetic time scale and on that of the actual bond breaking and bond making. The performance of heterogeneous catalysts is inherently the average over the ensemble of active sites. Much development aims at unravelling the structure of the active site; however, in general, these methods yield the ensemble-average structure. A benefit of X-ray-based methods is the large penetration depth of the X-rays, enabling in situ and operando measurements. Furthermore, the potential of X-ray absorption and emission spectroscopy methods (XANES, EXAFS, HERFD, RIXS and HEROS) to directly measure the structure of the catalytically active site at the single nanoparticle level using nanometer beams at diffraction-limited storage ring sources is highlighted. Use of pump-probe schemes coupled with single-shot experiments will extend the time range from the micro/macro-kinetic time domain to the time scale of bond breaking and making.

  12. Chemical and mechanical instabilities in high energy heavy-ion collisions

    Science.gov (United States)

    Gervino, G.; Lavagno, A.; Pigato, D.

    2015-07-01

    We investigate the possible thermodynamic instability in a warm and dense nuclear medium where a phase transition from nucleonic matter to resonance-dominated Δ-matter can take place. Such a phase transition is characterized by both mechanical instability (fluctuations on the baryon density) and by chemical-diffusive instability (fluctuations on the isospin concentration) in asymmetric nuclear matter. Similarly to the liquid-gas phase transition, the nucleonic and the Δ-matter phase have a different isospin density in the mixed phase. In the liquid-gas phase transition, the process of producing a larger neutron excess in the gas phase is referred to as isospin fractionation. A similar effects can occur in the nucleon-Δ matter phase transition due essentially to a Δ- excess in the Δ-matter phase in asymmetric nuclear matter. In this context, we study the hadronic equation of state by means of an effective quantum relativistic mean field model with the inclusion of the full octet of baryons, the Δ-isobar degrees of freedom, and the lightest pseudoscalar and vector mesons. Finally, we will investigate the presence of thermodynamic instabilities in a hot and dense nuclear medium where phases with different values of antibaryon-baryon ratios and strangeness content may coexist. Such a physical regime could be in principle investigated in the future high-energy compressed nuclear matter experiments where will make it possible to create compressed baryonic matter with a high net baryon density.

  13. X-ray spectroscopy for chemical and energy sciences: the case of heterogeneous catalysis.

    Science.gov (United States)

    Frenkel, Anatoly I; van Bokhoven, Jeroen A

    2014-09-01

    Heterogeneous catalysis is the enabling technology for much of the current and future processes relevant for energy conversion and chemicals synthesis. The development of new materials and processes is greatly helped by the understanding of the catalytic process at the molecular level on the macro/micro-kinetic time scale and on that of the actual bond breaking and bond making. The performance of heterogeneous catalysts is inherently the average over the ensemble of active sites. Much development aims at unravelling the structure of the active site; however, in general, these methods yield the ensemble-average structure. A benefit of X-ray-based methods is the large penetration depth of the X-rays, enabling in situ and operando measurements. The potential of X-ray absorption and emission spectroscopy methods (XANES, EXAFS, HERFD, RIXS and HEROS) to directly measure the structure of the catalytically active site at the single nanoparticle level using nanometer beams at diffraction-limited storage ring sources is highlighted. The use of pump-probe schemes coupled with single-shot experiments will extend the time range from the micro/macro-kinetic time domain to the time scale of bond breaking and making. PMID:25177997

  14. Chemical versus dual energy x-ray absorptiometry for detecting age-associated body compositional changes in male rats☆

    Science.gov (United States)

    Feely, Rebecca. S.; Larkin, Lisa M.; Halter, Jeffrey B.; Dengel, Donald R.

    2009-01-01

    Aging is associated with increases in body mass and fat mass (FM), whereas fat-free mass (FFM) either decreases or remains unchanged. The purpose of this study was to determine whether dual-energy X-ray absorptiometry (DXA) accurately detects age-associated changes in male Fischer 344 × Brown–Norway rats ages 8, 18, and 28 months. Eviscerated animal carcasses were first examined via the Lunar DPX-IQ DXA (small animal software version 1.0; HiRes (0.6 × 1.2 mm) medium mode). Eviscerated carcasses were then weighed, autoclaved, homogenized, and fat isolated from aliquots of homogenate via methanol/chloroform extraction. In both chemical (CHEM) and DXA analysis, carcass mass (CM), FM, and % fat were significantly higher (P < 0.0001) in the 18 and 28 versus 8-month-old rats. CHEM showed greater FFM in the 18 versus 8 months-old rats but not the 28 months-old animals. DXA was unable to detect the age-associated changes in FFM. Regression analysis showed a strong correlation between CHEM and DXA methods for CM (r = 0.98, P < 0.0001) and FM (r = 0.97, P < 0.0001), but less strong for FFM (r = 0.59, P = 0.0002). In conclusion, compared to CHEM, DXA consistently overestimated CM and FM across the age groups by 9% and 77%, respectively, and underestimated FFM by 5%. PMID:10832061

  15. Optical and chemical behaviors of CR-39 and Makrofol plastics under low-energy electron beam irradiation

    Science.gov (United States)

    El-Saftawy, Ashraf Ali; Abd El Aal, Saad Ahmed; Hassan, Nabil Mohamed; Abdelrahman, Moustafa Mohamed

    2016-07-01

    In this study, CR-39 and Makrofol plastic nuclear track detectors were irradiated with low-energy electron beams to study the effect of the induced changes on their optical and chemical properties. Surface chemical changes were recorded by Fourier transform infrared (FTIR) spectroscopy, which showed successive degradation and crosslinking for CR-39 and decomposition for Makrofol. The optical band gap was determined by UV–vis spectroscopy. Also, the parameters of carbon cluster formation and disordering (Urbach’s energy) occurring on plastic surfaces were examined. The intrinsic viscosity changes were investigated as well. As a result, low-energy electron beams were found to be useful for the control of many properties of the surfaces of the investigated detectors.

  16. Optimizing the Binding Energy of Hydrogen on Nanostructured Carbon Materials through Structure Control and Chemical Doping

    Energy Technology Data Exchange (ETDEWEB)

    Jie Liu

    2011-02-01

    The DOE Hydrogen Sorption Center of Excellence (HSCoE) was formed in 2005 to develop materials for hydrogen storage systems to be used in light-duty vehicles. The HSCoE and two related centers of excellence were created as follow-on activities to the DOE Office of Energy Efficiency and Renewable Energy’s (EERE’s) Hydrogen Storage Grand Challenge Solicitation issued in FY 2003. The Hydrogen Sorption Center of Excellence (HSCoE) focuses on developing high-capacity sorbents with the goal to operate at temperatures and pressures approaching ambient and be efficiently and quickly charged in the tank with minimal energy requirements and penalties to the hydrogen fuel infrastructure. The work was directed at overcoming barriers to achieving DOE system goals and identifying pathways to meet the hydrogen storage system targets. To ensure that the development activities were performed as efficiently as possible, the HSCoE formed complementary, focused development clusters based on the following four sorption-based hydrogen storage mechanisms: 1. Physisorption on high specific surface area and nominally single element materials 2. Enhanced H2 binding in Substituted/heterogeneous materials 3. Strong and/or multiple H2 binding from coordinated but electronically unsatruated metal centers 4. Weak Chemisorption/Spillover. As a member of the team, our group at Duke studied the synthesis of various carbon-based materials, including carbon nanotubes and microporous carbon materials with controlled porosity. We worked closely with other team members to study the effect of pore size on the binding energy of hydrogen to the carbon –based materials. Our initial project focus was on the synthesis and purification of small diameter, single-walled carbon nanotubes (SWNTs) with well-controlled diameters for the study of their hydrogen storage properties as a function of diameters. We developed a chemical vapor deposition method that synthesized gram quantities of carbon nanotubes with

  17. Technical note: Prediction of chemical rib section composition by dual energy X-ray absorptiometry in Zebu beef cattle.

    Science.gov (United States)

    Prados, L F; Zanetti, D; Amaral, P M; Mariz, L D S; Sathler, D F T; Filho, S C Valadares; Silva, F F; Silva, B C; Pacheco, M C; Alhadas, H M; Chizzotti, M L

    2016-06-01

    It is expensive and laborious to evaluate carcass composition in beef cattle. The objective of this study was to evaluate a method to predict the 9th to 11th rib section (rib) composition through empirical equations using dual energy X-ray absorptiometry (DXA). Dual energy X-ray absorptiometry is a validated method used to describe tissue composition in humans and other animals, but few studies have evaluated this technique in beef cattle, and especially in the Zebu genotype. A total of 116 rib were used to evaluate published prediction equations for rib composition and to develop new regression models using a cross-validation procedure. For the proposed models, 93 ribs were randomly selected to calculate the new regression equations, and 23 different ribs were randomly selected to validate the regressions. The rib from left carcasses were taken from Nellore and Nellore × Angus bulls from 3 different studies and scanned using DXA equipment (GE Healthcare, Madison, WI) in the Health Division at Universidade Federal de Viçosa (Viçosa, Brazil). The outputs of the DXA report were DXA lean (g), DXA fat free mass (g), DXA fat mass (g), and DXA bone mineral content (BMC; g). After being scanned, the rib were dissected, ground, and chemically analyzed for total ether extract (EE), CP, water, and ash content. The predictions of rib fat and protein from previous published equations were different ( 0.05), respectively, then the equation correctly estimated the rib composition. Comparing observed and predicted values using the new equations, Mayer's test was not significant for lean mass ( = 0.26), fat free mass ( = 0.67), EE mass ( = 0.054), and ash mass ( = 0.14). We concluded that the rib composition of Nellore and Nellore × Angus bulls can be estimated from DXA using the proposed equations. PMID:27285924

  18. Chemical composition, morphology and optical properties of zinc sulfide coatings deposited by low-energy electron beam evaporation

    International Nuclear Information System (INIS)

    The research determines the features of formation, morphology, chemical composition and optical properties of the coatings deposited by the method, proposed for the first time, of the exposure of mechanical mixture of zinc and sulfur powders to low-energy electron beam evaporation. The findings show that the deposited coatings are characterized by high chemical and structural homogeneity in thickness. The study considers the influence of substrate temperature and thickness of the deposited layer on the morphology and the width of the formed ZnS thin layers band gap. Also was shown the possibility to form ZnS coatings with this method using the mixture of zinc and copper sulfide powders.

  19. Chemical composition, morphology and optical properties of zinc sulfide coatings deposited by low-energy electron beam evaporation

    Energy Technology Data Exchange (ETDEWEB)

    Ragachev, A.V. [International Chinese-Belorussian scientific laboratory on vacuum-plasma technology, College of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China); Francisk Skorina Gomel State University, 104, Sovetskaya Street, Gomel 246019 (Belarus); Yarmolenko, M.A., E-mail: simmak79@mail.ru [International Chinese-Belorussian scientific laboratory on vacuum-plasma technology, College of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China); Francisk Skorina Gomel State University, 104, Sovetskaya Street, Gomel 246019 (Belarus); Rogachev, A.A. [International Chinese-Belorussian scientific laboratory on vacuum-plasma technology, College of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China); Francisk Skorina Gomel State University, 104, Sovetskaya Street, Gomel 246019 (Belarus); Gorbachev, D.L. [Francisk Skorina Gomel State University, 104, Sovetskaya Street, Gomel 246019 (Belarus); Zhou, Bing [International Chinese-Belorussian scientific laboratory on vacuum-plasma technology, College of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China)

    2014-06-01

    The research determines the features of formation, morphology, chemical composition and optical properties of the coatings deposited by the method, proposed for the first time, of the exposure of mechanical mixture of zinc and sulfur powders to low-energy electron beam evaporation. The findings show that the deposited coatings are characterized by high chemical and structural homogeneity in thickness. The study considers the influence of substrate temperature and thickness of the deposited layer on the morphology and the width of the formed ZnS thin layers band gap. Also was shown the possibility to form ZnS coatings with this method using the mixture of zinc and copper sulfide powders.

  20. An approach to the determination of physical-chemical limits of energy consumption for the transition to a stationary state

    International Nuclear Information System (INIS)

    The paper gives a model of energy consumption and a programme for its application. Previous models are mainly criticized on the grounds that new technological developments as well as adjustments due to learning processes of homo sapiens are generally not sufficiently accounted for in these models. The approach of this new model is therefore an attempt at the determination of the physical-chemical limiting values for the capacity of the global HST (homo sapiens - Tellus) system or of individual regions with respect to certain critical factors. These limiting values determined by the physical-chemical system of the earth are independent of human ingenuity and flexibility. (orig./AK)

  1. Ab initio modeling of energy dissipation during chemical reactions at transition metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, Joerg

    2012-02-16

    In this work energy dissipation during exothermic chemical reactions in the context of heterogeneous catalysis is investigated in great detail, based on and substantially further developing ab initio methodologies. The dissociation of oxygen molecules (O{sub 2}) on the Pd(100) surface serves as a representative showcase, involving a release of about 2.6 eV of chemisorption energy. The impingement of O{sub 2} from the gas phase onto the surface occurs with randomly distributed initial molecular orientation and lateral position. In order to properly capture the breaking of the oxygen-oxygen bond, the latter is described on the level of density functional theory (DFT) with a semi-local exchange-correlation functional. Following a ''divide-and-conquer'' strategy, this description is decoupled from the dynamics to reduce the computational cost. The resulting interpolation problem is tackled with the help of neural networks using only a very limited number of data points. The initial sticking coefficient resulting from thousands of trajectories shows good agreement with available experimental data. Quite in contrast to Al(111) surfaces, the spin transition of the oxygen molecule ({sup 3}{sigma}{sup -}{sub g} spin triplet in gas phase to singlet-like state on the surface) can apparently be described adiabatically. In order to characterize this further and at the same time assess the relevance of one possible energy dissipation channel, excitations of electron-hole (e-h) pairs in the metal substrate are investigated using time-dependent perturbation theory - based on time-dependent density functional theory (TDDFT) and the Kohn-Sham band structure of the substrate. As a consequence, focus is inevitably shifted on phonons as major energy dissipation channel. A new embedding scheme called QM/Me was developed. In the present context it allows to model realistic (surface) phonons on the level of a ''modified embedded atom method'' (MEAM

  2. Mass, energy, and exergy balance analysis of chemical looping with oxygen uncoupling (CLOU) process

    International Nuclear Information System (INIS)

    Highlights: • A CLOU reactor system using a CuO-based OC and coal as fuel is analyzed. • Possible operational regions for the chosen OC are identified. • Different heat balance scenarios are investigated. • The second-law efficiency of the system is evaluated. • Various design aspects and process modelling relationships are discussed. - Abstract: Chemical looping with oxygen uncoupling (CLOU) is a promising concept for efficient combustion of solid fuels with an inherent capture of the greenhouse gas CO2. This paper presents a CLOU process scheme with stoichiometric mass, energy, and exergy balances. A CLOU reactor system using medium volatile bituminous coal as fuel and silica-supported CuO as an oxygen carrier is analyzed. The analysis includes the estimation of various design and operational parameters, thermal considerations, and evaluation of the overall performance. The operation of a reactor system of two interacting circulating fluidized beds (CFBs) is greatly influenced by the hydrodynamics. For the CuO oxygen carrier, the hydrodynamic operating range appeared feasible considering the maximum solid circulation rates in current CFB boilers. Depending upon the reactor temperatures, oxygen carrier inventories of 400–680 kg/MW in the system were found necessary for stoichiometric combustion of the fuel. The temperature difference between the reactors should not exceed 50 °C, as otherwise, problems may arise with the heat balance. Exergetic efficiencies in the range of 63–70% were obtained for different combinations of relevant design parameters. It is evident that the possible operating conditions in the system are closely related to the properties of the chosen oxygen carrier. However, the calculation procedure and design criteria presented here are applicable to any oxygen carrier to be used in the process

  3. Energy

    CERN Document Server

    Foland, Andrew Dean

    2007-01-01

    Energy is the central concept of physics. Unable to be created or destroyed but transformable from one form to another, energy ultimately determines what is and isn''t possible in our universe. This book gives readers an appreciation for the limits of energy and the quantities of energy in the world around them. This fascinating book explores the major forms of energy: kinetic, potential, electrical, chemical, thermal, and nuclear.

  4. Photoactivation Studies of Zinc Porphyrin-Myoglobin System and Its Application for Light-Chemical Energy Conversion

    Directory of Open Access Journals (Sweden)

    Chin-Hao Chang, Yi-Ting Hu, Chen-Fu Lo, Liyang Luo, Hung-Ming Lin, Cheng-Hsiang Chang, Ching-Yao Lin, Eric Wei-Guang Diau, Tung-Kung Wu

    2011-01-01

    Full Text Available An artificial zinc porphyrin-myoglobin-based photo-chemical energy conversion system, consisting of ZnPP-Mb or ZnPE1-Mb as a photosensitizer, NADP+ as an electron acceptor, and triethanolamine as an electron donor, has been constructed to mimic photosystem I. The photoirradiated product is able to reduce a single-electron acceptor protein cytochrome c, but cannot catalyze the two-electron reduction of acetaldehyde by alcohol dehydrogenase, thus demonstrating a single electron transfer mechanism. Furthermore, the artificial system can bifunctionally promote oxidoredox reactions, depending on the presence or absence of a sacrificial electron donor, thus suggesting its potential application in electrochemical regeneration steps involved in chemical transformation and/or energy conversion.

  5. Photoactivation Studies of Zinc Porphyrin-Myoglobin System and Its Application for Light-Chemical Energy Conversion

    Science.gov (United States)

    Chang, Chin-Hao; Hu, Yi-Ting; Lo, Chen-Fu; Luo, Liyang; Lin, Hung-Ming; Chang, Cheng-Hsiang; Lin, Ching-Yao; Diau, Eric Wei-Guang; Wu, Tung-Kung

    2011-01-01

    An artificial zinc porphyrin-myoglobin-based photo-chemical energy conversion system, consisting of ZnPP-Mb or ZnPE1-Mb as a photosensitizer, NADP+ as an electron acceptor, and triethanolamine as an electron donor, has been constructed to mimic photosystem I. The photoirradiated product is able to reduce a single-electron acceptor protein cytochrome c, but cannot catalyze the two-electron reduction of acetaldehyde by alcohol dehydrogenase, thus demonstrating a single electron transfer mechanism. Furthermore, the artificial system can bifunctionally promote oxidoredox reactions, depending on the presence or absence of a sacrificial electron donor, thus suggesting its potential application in electrochemical regeneration steps involved in chemical transformation and/or energy conversion. PMID:22043177

  6. Chemical Potentials of Quarks Extracted from Particle Transverse Momentum Distributions in Heavy Ion Collisions at RHIC Energies

    Directory of Open Access Journals (Sweden)

    Hong Zhao

    2014-01-01

    Full Text Available In the framework of a multisource thermal model, the transverse momentum distributions of charged particles produced in nucleus-nucleus (A-A and deuteron-nucleus (d-A collisions at relativistic heavy ion collider (RHIC energies are investigated by a two-component revised Boltzmann distribution. The calculated results are in agreement with the PHENIX experimental data. It is found that the source temperature increases obviously with increase of the particle mass and incident energy, but it does not show an obvious change with the collision centrality. Then, the values of chemical potentials for up, down, and strange quarks can be obtained from the antiparticle to particle yield ratios in a wide transverse momentum range. The relationship between the chemical potentials of quarks and the transverse momentum with different centralities is investigated, too.

  7. Fundamentals of the Layer-by-Layer Chemical Analysis of Heterogeneous Samples Using Secondary Ion Energy-mass Spectrometry

    Science.gov (United States)

    Nikitenkov, Nikolay N.; Vilkhivskaya, Olga V.; Nikitenkov, Alexsey N.; Sypchenko, Vladimir S.

    The experimental results presented in this paper demonstrate an opportunity for phase analysisof the surfacelayers of heterogeneous solidsusing the energy spectra of secondary ions (ESSI). The resultant ESSI from performing layer-by-layersputteringof thin-film systems using a stationary N2+ primary ion beam are presented and discussed. As examples of such studies, the depth distributions of the chemical compositions were studied on ZnO/Zn andInxAsyOz/InAs. An analysis of the simultaneous change in depth of both secondary molecular ion intensities and secondary atomic ion energy distributions (with reference to the target) enables the identification of separate phases.

  8. Conversion of bioprocess ethanol to industrial chemical products - Applications of process models for energy-economic assessments

    Science.gov (United States)

    Rohatgi, Naresh K.; Ingham, John D.

    1992-01-01

    An assessment approach for accurate evaluation of bioprocesses for large-scale production of industrial chemicals is presented. Detailed energy-economic assessments of a potential esterification process were performed, where ethanol vapor in the presence of water from a bioreactor is catalytically converted to ethyl acetate. Results show that such processes are likely to become more competitive as the cost of substrates decreases relative to petrolium costs. A commercial ASPEN process simulation provided a reasonably consistent comparison with energy economics calculated using JPL developed software. Detailed evaluations of the sensitivity of production cost to material costs and annual production rates are discussed.

  9. Study of Gamma Ray Exposure Buildup Factor for Some Ceramics with Photon Energy, Penetration Depth and Chemical Composition

    Directory of Open Access Journals (Sweden)

    Tejbir Singh

    2013-01-01

    Full Text Available Gamma ray exposure buildup factor for some ceramics such as boron nitride (BN, magnesium diboride (MgB2, silicon carbide (SiC, titanium carbide (TiC and ferrite (Fe3O4 has been computed using five parametric geometric progression (G.P. fitting method in the energy range of 0.015 to 15.0 MeV, up to the penetration of 40 mean free path (mfp. The variation of exposure buildup factors for all the selected ceramics with incident photon energy, penetration depth, and chemical composition has been studied.

  10. Huge Pressure from Energy Supply and Overheated Investment——analysis of China's Petrochemical and Chemical Industry

    Institute of Scientific and Technical Information of China (English)

    Feng Shiliang

    2007-01-01

    @@ The economic performance of China's petroleum and chemical industry is comprehensively decided by four major factors now: a. economy grows rapidly,boosting consumption demand; b. supply of energy and products consuming resources tends to be tighter; c. global crude oil price will continue to stay high,driving the production cost of its downstream products; d. the overly rapid increase of investment in fixed assets is difficult to control, so more and more products will face surplus production capacity.

  11. Rule of additivity as forecasting numerical values energy of occupied molecular orbital (homo with quantum chemical calculations

    Directory of Open Access Journals (Sweden)

    Andrei Sikachina

    2015-11-01

    Full Text Available In the published article is considering extending the application of the rule of additivity, namely for the theoretical calculation of the energy value of the highest occupied molecular orbital. The author received and verified data for the reference-type basic functional groups of organic compounds on the example of organic phosphine derivatives (with the help of quantum chemical PCGAMESS2009 package for compounds having a tendency to be paired and non-binding.

  12. Measuring chemical composition and particle cross-section of ultra-high energy cosmic rays by a ground radio array

    CERN Document Server

    Belov, Konstantin

    2013-01-01

    We present a technique to measure chemical composition and particle cross-section of ultra-high energy cosmic rays using radio data. We relate the geometry of the radio footprint on the ground to the depth of the extensive air shower maximum. We suggest to use the spectral information of the radio signal to improve the shower maximum reconstruction by minimum number of antennas on the ground.

  13. Structure and function of natural sulphide-oxidizing microbial mats under dynamic input of light and chemical energy.

    Science.gov (United States)

    Klatt, Judith M; Meyer, Steffi; Häusler, Stefan; Macalady, Jennifer L; de Beer, Dirk; Polerecky, Lubos

    2016-04-01

    We studied the interaction between phototrophic and chemolithoautotrophic sulphide-oxidizing microorganisms in natural microbial mats forming in sulphidic streams. The structure of these mats varied between two end-members: one characterized by a layer dominated by large sulphur-oxidizing bacteria (SOB; mostly Beggiatoa-like) on top of a cyanobacterial layer (B/C mats) and the other with an inverted structure (C/B mats). C/B mats formed where the availability of oxygen from the water column was limited (45 μM) and continuously present. Here SOB were independent of the photosynthetic activity of cyanobacteria and outcompeted the cyanobacteria in the uppermost layer of the mat where energy sources for both functional groups were concentrated. Outcompetition of photosynthetic microbes in the presence of light was facilitated by the decoupling of aerobic chemolithotrophy and oxygenic phototrophy. Remarkably, the B/C mats conserved much less energy than the C/B mats, although similar amounts of light and chemical energy were available. Thus ecosystems do not necessarily develop towards optimal energy usage. Our data suggest that, when two independent sources of energy are available, the structure and activity of microbial communities is primarily determined by the continuous rather than the intermittent energy source, even if the time-integrated energy flux of the intermittent energy source is greater. PMID:26405833

  14. Finding of no significant impact for the joint DOE/EPA program on national industrial competitiveness through energy efficiency and economics (NICE{sup 3})

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-03-01

    The Department of Energy (DOE) has prepared a Programmatic Environmental Assessment (PEA), to assess the environment impacts associated with a joint DOE/EPA cost-sharing grant program named National Industrial Competitiveness through Energy Efficiency, Environment and Economics (NICE{sup 3}). The purpose of the NICE{sup 3} Program is to encourage waste minimization technology in industry by funding projects that develop activities and process improvements to conserve energy and reduce pollution. The proposed action would provide Federal financial assistance in the form of grants to industry in order to promote pollution prevention, energy efficiency, and cost competitiveness. Based on the analysis presented in the PEA, DOE has determined that the proposed action (providing NICE{sup 3} grants for projects which are consistent with the goals of the PPA and EPACT) does not constitute a major Federal action significantly affecting the quality of the human environment within the meaning of NEPA. Therefore, the preparation of an Environmental Impact Statement is not needed and the Department is issuing this Finding of No Significant Impact.

  15. Prediction of metabolisable energy value of broiler diets and water excretion from dietary chemical analyses.

    Science.gov (United States)

    Carré, B; Lessire, M; Juin, H

    2013-08-01

    Thirty various pelleted diets were given to broilers (8/diet) for in vivo measurements of dietary metabolisable energy (ME) value and digestibilities of proteins, lipids, starch and sugars from day 27 to day 31, with ad libitum feeding and total collection of excreta. Water excretion was also measured. Amino acid formulation of diets was done on the basis of ratios to crude proteins. Mean in vivo apparent ME values corrected to zero nitrogen retention (AMEn) were always lower than the AMEn values calculated for adult cockerels using predicting equations from literature based on the chemical analyses of diets. The difference between mean in vivo AMEn values and these calculated AMEn values increased linearly with increasing amount of wheat in diets (P = 0.0001). Mean digestibilities of proteins, lipids and starch were negatively related to wheat introduction (P = 0.0001). The correlations between mean in vivo AMEn values and diet analytical parameters were the highest with fibre-related parameters, such as water-insoluble cell-walls (WICW) (r = -0.91) or Real Applied Viscosity (RAV) (r = -0.77). Thirteen multiple regression equations relating mean in vivo AMEn values to dietary analytical data were calculated, with R² values ranging from 0.859 to 0.966 (P = 0.0001). The highest R² values were obtained when the RAV parameter was included in independent variables. The direct regression equations obtained with available components (proteins, lipids, starch, sucrose and oligosaccharides) and the indirect regression equations obtained with WICW and ash parameters showed similar R² values. Direct or indirect theoretical equations predicting AMEn values were established using the overall mean in vivo digestibility values. The principle of indirect equations was based on the assumption that WICW and ashes act as diluters. Addition of RAV or wheat content in variables improved the accuracy of theoretical equations. Efficiencies of theoretical equations for predicting AMEn

  16. ESCA [electron spectroscopy for chemical analysis] examination of metal oxides and electronic ceramic materials: The effect of a low-energy argon-ion beam

    International Nuclear Information System (INIS)

    Electronic ceramic materials are increasingly of interest to chemists because there is a growing interest in preparing high purity ceramics by chemical means and because the properties of the ceramics often depend on the chemical state of the elements in the ceramic. The chemical species, e.g. the oxidation state, of a metal in a ceramic can be identified by the analytical technique known as ESCA (electron spectroscopy for chemical analysis). In this work, the application of ESCA to ceramic materials begins with studies of metal oxide powders and examines the effect of a low energy argon ion beam. Two problems that occur with oxide powders and ceramics are surface charging and the formation of carbonates on the surface. Surface charging is generally compensated for by referencing to the carbon contaminant or by flooding the surface with electrons. Referencing to the contaminant peak meets with limited success when compared to the literature. Flooding the surface of oxide powders and ceramics causes peak distortion. Surface carbonates are identified in the carbon region by their separation of -4.5 eV from the contaminant carbon. To examine the effect of a low energy ion beam on metal oxide powders and ceramic powders, both the X-ray photoelectron (XPS) and X-ray induced Auger electron spectra (XAES) of SC2O3, V2O5, Cu2 O, ZnO and SnO2 are examined before and after ion beam exposure. Limited reduction of the metal is noted in the XPS spectra of V2O5. XAES indicates the Sc2O3, Cu2O and SnO2 are also reduced. XAES is especially useful for determining that reduction by the ion beam has occurred. A comparison of ion beam exposed oxide powders and heavily oxidized metal foils (Ti, Zr and Nb) shows that while the powders undergo limited reduction, the oxidized foils are reduced much more significantly with the same sputtering parameters

  17. Energy production and storage inorganic chemical strategies for a warming world

    CERN Document Server

    Crabtree, Robert H

    2013-01-01

    Energy production and storage are central problems for our time. In principle, abundant energy is available from the sun to run the earth in a sustainable way. Solar energy can be directly harnessed by agricultural and photovoltaic means, but the sheer scale of the energy demand poses severe challenges, for example any major competition between biomass production and food production would simply transfer scarcity from energy to food. Indirect use of solar energy in the form of wind looks also promising, especially for those regions not blessed with abundant sunlight. Other modes such as tidal

  18. Flexural strength of acrylic resin repairs processed by different methods: water bath, microwave energy and chemical polymerization

    Science.gov (United States)

    ARIOLI FILHO, João Neudenir; BUTIGNON, Luís Eduardo; PEREIRA, Rodrigo de Paula; LUCAS, Matheus Guilherme; MOLLO JUNIOR, Francisco de Assis

    2011-01-01

    Denture fractures are common in daily practice, causing inconvenience to the patient and to the dentists. Denture repairs should have adequate strength, dimensional stability and color match, and should be easily and quickly performed as well as relatively inexpensive. Objective The aim of this study was to evaluate the flexural strength of acrylic resin repairs processed by different methods: warm water-bath, microwave energy, and chemical polymerization. Material and methods Sixty rectangular specimens (31x10x2.5 mm) were made with warm water-bath acrylic resin (Lucitone 550) and grouped (15 specimens per group) according to the resin type used to make repair procedure: 1) specimens of warm water-bath resin (Lucitone 550) without repair (control group); 2) specimens of warm water-bath resin repaired with warm water-bath; 3) specimens of warm water-bath resin repaired with microwave resin (Acron MC); 4) specimens of warm water-bath resin repaired with autopolymerized acrylic resin (Simplex). Flexural strength was measured with the three-point bending in a universal testing machine (MTS 810 Material Test System) with load cell of 100 kgf under constant speed of 5 mm/min. Data were analyzed statistically by Kruskal-Wallis test (p<0.05). Results The control group showed the best result (156.04±1.82 MPa). Significant differences were found among repaired specimens and the results were decreasing as follows: group 3 (43.02±2.25 MPa), group 2 (36.21±1.20 MPa) and group 4 (6.74±0.85 MPa). Conclusion All repaired specimens demonstrated lower flexural strength than the control group. Repairs with autopolymerized acrylic resin showed the lowest flexural strength. PMID:21625742

  19. Flexural strength of acrylic resin repairs processed by different methods: water bath, microwave energy and chemical polymerization

    Directory of Open Access Journals (Sweden)

    João Neudenir Arioli Filho

    2011-06-01

    Full Text Available Denture fractures are common in daily practice, causing inconvenience to the patient and to the dentists. Denture repairs should have adequate strength, dimensional stability and color match, and should be easily and quickly performed as well as relatively inexpensive. OBJECTIVE: The aim of this study was to evaluate the flexural strength of acrylic resin repairs processed by different methods: warm water-bath, microwave energy, and chemical polymerization. MATERIAL AND METHODS: Sixty rectangular specimens (31x10x2.5 mm were made with warm water-bath acrylic resin (Lucitone 550 and grouped (15 specimens per group according to the resin type used to make repair procedure: 1 specimens of warm water-bath resin (Lucitone 550 without repair (control group; 2 specimens of warm water-bath resin repaired with warm water-bath; 3 specimens of warm water-bath resin repaired with microwave resin (Acron MC; 4 specimens of warm water-bath resin repaired with autopolymerized acrylic resin (Simplex. Flexural strength was measured with the three-point bending in a universal testing machine (MTS 810 Material Test System with load cell of 100 kgf under constant speed of 5 mm/min. Data were analyzed statistically by Kruskal-Wallis test (p<0.05. RESULTS: The control group showed the best result (156.04±1.82 MPa. Significant differences were found among repaired specimens and the results were decreasing as follows: group 3 (43.02±2.25 MPa, group 2 (36.21±1.20 MPa and group 4 (6.74±0.85 MPa. CONCLUSION: All repaired specimens demonstrated lower flexural strength than the control group. Repairs with autopolymerized acrylic resin showed the lowest flexural strength.

  20. Electronic Energy Transfer in Polarizable Heterogeneous Environments: A Systematic Investigation of Different Quantum Chemical Approaches.

    Science.gov (United States)

    Steinmann, Casper; Kongsted, Jacob

    2015-09-01

    Theoretical prediction of transport and optical properties of protein-pigment complexes is of significant importance when aiming at understanding the structure-function relationship in such systems. Electronic energy transfer (EET) couplings represent a key property in this respect since such couplings provide important insight into the strength of interaction between photoactive pigments in protein-pigment complexes. Recently, attention has been payed to how the environment modifies or even controls the electronic couplings. To enable such theoretical predictions, a fully polarizable embedding model has been suggested (Curutchet, C., et al. J. Chem. Theory Comput., 2009, 5, 1838-1848). In this work, we further develop this computational model by extending it with an ab initio derived polarizable force field including higher-order multipole moments. We use this extended model to systematically examine three different ways of obtaining EET couplings in a heterogeneous medium ranging from use of the exact transition density to a point-dipole approximation. Several interesting observations are made, for example, the explicit use of transition densities in the calculation of the electronic couplings, and also when including the explicit environment contribution, can be replaced by a much simpler transition point charge description without comprising the quality of the model predictions. PMID:26575923

  1. Lorentz invariance violation and chemical composition of ultra high energy cosmic rays

    Energy Technology Data Exchange (ETDEWEB)

    Saveliev, Andrey; Sigl, Guenter [Hamburg Univ. (Germany). II. Inst. fuer Theoretische Physik; Maccione, Luca [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Theory Group

    2010-12-15

    Motivated by experimental indications of a significant presence of heavy nuclei in the cosmic ray flux at ultra high energies (>or similar 10{sup 19} eV), we consider the effects of Planck scale suppressed Lorentz Invariance Violation (LIV) on the propagation of cosmic ray nuclei. In particular we focus on LIV effects on the photodisintegration of nuclei onto the background radiation fields. After a general discussion of the behavior of the relevant quantities, we apply our formalism to a simplified model where the LIV parameters of the various nuclei are assumed to kinematically result from a single LIV parameter for the constituent nucleons, {eta}, and we derive constraints on {eta}. Assuming a nucleus of a particular species to be actually present at 10{sup 20} eV the following constraints can be placed: -3 x 10{sup -2}

  2. Lorentz Invariance Violation and Chemical Composition of Ultra High Energy Cosmic Rays

    CERN Document Server

    Saveliev, Andrey; Sigl, Guenter

    2011-01-01

    Motivated by experimental indications of a significant presence of heavy nuclei in the cosmic ray flux at ultra high energies ($\\gtrsim 10^{19}~\\eV$), we consider the effects of Planck scale suppressed Lorentz Invariance Violation (LIV) on the propagation of cosmic ray nuclei. In particular we focus on LIV effects on the photodisintegration of nuclei onto the background radiation fields. After a general discussion of the behavior of the relevant quantities, we apply our formalism to a simplified model where the LIV parameters of the various nuclei are assumed to kinematically result from a single LIV parameter for the constituent nucleons, $\\eta$, and we derive constraints on $\\eta$. Assuming a nucleus of a particular species to be actually present at $10^{20}$~eV the following constraints can be placed: $-3\\times10^{-2} \\lesssim \\eta \\lesssim 4$ for $^{56}$Fe, $-2\\times10^{-3} \\lesssim \\eta \\lesssim 3\\times10^{-2}$ for $^{16}$O and $-7\\times10^{-5} \\lesssim \\eta \\lesssim 1\\times10^{-4}$ for $^{4}$He, respect...

  3. Lorentz invariance violation and chemical composition of ultra high energy cosmic rays

    Energy Technology Data Exchange (ETDEWEB)

    Saveliev, Andrey; Sigl, Guenter [II. Institut für Theoretische Physik, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg (Germany); Maccione, Luca, E-mail: andrey.saveliev@desy.de, E-mail: luca.maccione@desy.de, E-mail: guenter.sigl@desy.de [DESY Theory Group, Notkestraße 85, 22607 Hamburg (Germany)

    2011-03-01

    Motivated by experimental indications of a significant presence of heavy nuclei in the cosmic ray flux at ultra high energies (∼>10{sup 19} eV), we consider the effects of Planck scale suppressed Lorentz Invariance Violation (LIV) on the propagation of cosmic ray nuclei. In particular we focus on LIV effects on the photodisintegration of nuclei onto the background radiation fields. After a general discussion of the behavior of the relevant quantities, we apply our formalism to a simplified model where the LIV parameters of the various nuclei are assumed to kinematically result from a single LIV parameter for the constituent nucleons, η, and we derive constraints on η. Assuming a nucleus of a particular species to be actually present at 10{sup 20} eV the following constraints can be placed: −3 × 10{sup −2}∼<η∼<4 for {sup 56}Fe, −2 × 10{sup −3}∼<η∼<3 × 10{sup −2} for {sup 16}O and −7 × 10{sup −5}∼<η∼<1 × 10{sup −4} for {sup 4}He, respectively.

  4. Influence of chemical properties of biomass plant agricultural origin on outlays energy incurred during the production of pellets

    Directory of Open Access Journals (Sweden)

    Artur KRASZKIEWICZ

    2014-06-01

    Full Text Available In this study, was analysed made the measurements of the content of water, carbon, hydrogen, nitrogen, sulphur and chlorine in plant biomass of agricultural origin in the context of the impact of these features on the energy expenditures incurred in its pelleting. For the examined raw materials statistical analysis results showed negative linear trend between energy expenditures and: water content, total sulfur and chlorine. Positive linear trend between energy expenditures and: contents of carbon, hydrogen, and nitrogen. Wherein the coefficients of correlation expenditures energy and: carbon, hydrogen and chlorine are significant p<0.05.

  5. Harvest and utilization of chemical energy in wastes by microbial fuel cells.

    Science.gov (United States)

    Sun, Min; Zhai, Lin-Feng; Li, Wen-Wei; Yu, Han-Qing

    2016-05-21

    Organic wastes are now increasingly viewed as a resource of energy that can be harvested by suitable biotechnologies. One promising technology is microbial fuel cells (MFC), which can generate electricity from the degradation of organic pollutants. While the environmental benefits of MFC in waste treatment have been recognized, their potential as an energy producer is not fully understood. Although progresses in material and engineering have greatly improved the power output from MFC, how to efficiently utilize the MFC's energy in real-world scenario remains a challenge. In this review, fundamental understandings on the energy-generating capacity of MFC from real waste treatment are provided and the challenges and opportunities are discussed. The limiting factors restricting the energy output and impairing the long-term reliability of MFC are also analyzed. Several energy storage and in situ utilization strategies for the management of MFC's energy are proposed, and future research needs for real-world application of this approach are explored.

  6. The correlationship between the metabolizable energy content, chemical composition and color score in different sources of corn DDGS

    Science.gov (United States)

    2013-01-01

    Background This study was conducted to evaluate the apparent metabolizable energy (AME) and true metabolizable energy (TME) contents in 30 sources of corn distillers dried grains with solubles (DDGS) in adult roosters, and establish the prediction equations to estimate the AME and TME value based on its chemical composition and color score. Methods Twenty-eight sources of corn DDGS made from several processing plants in 11 provinces of China and others imported from the United States. DDGS were analyzed for their metabolizable energy (ME) contents, measured for color score and chemical composition (crude protein, crude fat, ash, neutral detergent fiber, acid detergent fiber), to predict the equation of ME in DDGS. A precision-fed rooster assay was used, each DDGS sample was tube fed (50 g) to adult roosters. The experiment was conducted as a randomized incomplete block design with 3 periods. Ninety-five adult roosters were used in each period, with 90 being fed the DDGS samples and 5 being fasted to estimate basal endogenous energy losses. Results Results showed that the AME ranged from 5.93 to 12.19 MJ/kg, TME ranged from 7.28 to 13.54 MJ/kg. Correlations were found between ME and ash content (-0.64, P < 0.01) and between ME and yellowness score (0.39, P < 0.05) of the DDGS samples. Furthermore, the best-fit regression equation for AME content of DDGS based on chemical composition and color score was AME = 6.57111 + 0.51475 GE - 0.10003 NDF + 0.13380 ADF + 0.07057 fat - 0.57029 ash - 0.02437 L (R2 = 0.70). The best-fit regression equation for TME content of DDGS was TME = 7.92283 + 0.51475 GE - 0.10003 NDF + 0.13380 ADF + 0.07057 fat - 0.57029 ash - 0.02437 L (R2 = 0.70). Conclusions This experiment suggested that measuring the chemical composition and color score of a corn DDGS sample may provide a quality parameter for identifying corn DDGS sources energy digestibility and metabolizable energy content. PMID

  7. The correlationship between the metabolizable energy content, chemical composition and color score in different sources of corn DDGS

    Institute of Scientific and Technical Information of China (English)

    Yong-Z Jie; Jian-Y Zhang; Li-H Zhao; Qiu-G Maand Cheng Ji

    2014-01-01

    Background:This study was conducted to evaluate the apparent metabolizable energy (AME) and true metabolizable energy (TME) contents in 30 sources of corn distillers dried grains with solubles (DDGS) in adult roosters, and establish the prediction equations to estimate the AME and TME value based on its chemical Methods:Twenty-eight sources of corn DDGS made from several processing plants in 11 provinces of China and others imported from the United States. DDGS were analyzed for their metabolizable energy (ME) contents, measured for color score and chemical composition (crude protein, crude fat, ash, neutral detergent fiber, acid detergent fiber), to predict the equation of ME in DDGS. A precision-fed rooster assay was used, each DDGS sample was tube fed (50 g) to adult roosters. The experiment was conducted as a randomized incomplete block design with 3 periods. Ninety-five adult roosters were used in each period, with 90 being fed the DDGS samples and 5 being fasted to estimate basal endogenous energy losses. Results:Results showed that the AME ranged from 5.93 to 12.19 MJ/kg, TME ranged from 7.28 to 13.54 MJ/kg. Correlations were found between ME and ash content (-0.64, P<0.01) and between ME and yellowness score (0.39, P<0.05) of the DDGS samples. Furthermore, the best-fit regression equation for AME content of DDGS based on chemical composition and color score was AME=6.57111+0.51475 GE-0.10003 NDF+0.13380 ADF+0.07057 fat-0.57029 ash-0.02437 L (R2=0.70). The best-fit regression equation for TME content of DDGS was TME=7.92283+0.51475 GE-0.10003 NDF+0.13380 ADF+0.07057 fat-0.57029 ash-0.02437 L (R2=0.70). Conclusions:This experiment suggested that measuring the chemical composition and color score of a corn DDGS sample may provide a quality parameter for identifying corn DDGS sources energy digestibility and metabolizable energy content.

  8. The Carbon and Global Warming Potential Impacts of Organic Farming: Does It Have a Significant Role in an Energy Constrained World?

    Directory of Open Access Journals (Sweden)

    Ralph C. Martin

    2011-01-01

    Full Text Available About 130 studies were analyzed to compare farm-level energy use and global warming potential (GWP of organic and conventional production sectors. Cross cutting issues such as tillage, compost, soil carbon sequestration and energy offsets were also reviewed. Finally, we contrasted E and GWP data from the wider food system. We concluded that the evidence strongly favours organic farming with respect to whole-farm energy use and energy efficiency both on a per hectare and per farm product basis, with the possible exception of poultry and fruit sectors. For GWP, evidence is insufficient except in a few sectors, with results per ha more consistently favouring organic farming than GWP per unit product. Tillage was consistently a negligible contributor to farm E use and additional tillage on organic farms does not appear to significantly deplete soil C. Energy offsets, biogas, energy crops and residues have a more limited role on organic farms compared to conventional ones, because of the nutrient and soil building uses of soil organic matter, and the high demand for organic foods in human markets. If farm E use represents 35% of total food chain E use, improvements shown of 20% or more in E efficiency through organic farm management would reduce food-chain E use by 7% or more. Among other food supply chain stages, wholesale/retail (including cooling and packaging and processing often each contribute 30% or more to total food system E. Thus, additional improvements can be obtained with reduced processing, whole foods and food waste minimization.

  9. Algorithms for three-dimensional chemical analysis via multi-energy synchrotron X-ray tomography

    Science.gov (United States)

    Ham, Kyungmin; Butler, Leslie G.

    2007-08-01

    The conversion of X-ray tomography images into three-dimensional chemical composition requires accurate mass absorption values, high-quality images, and a robust fitting algorithm. The least-squares fits of the images to a three-dimensional chemical composition can proceed with several different options such as minimal vs. over-determined and/or constrained parameters. This project has investigated the impact of XAFS features and a limited CCD dynamic range. These simulated results are compared to a recent experimental project in which synchrotron X-ray tomography was used to image a polymer blend, and from those images, calculated three-dimensional chemical composition maps of the two-component flame retardant, a brominated phthalimide dimer, Saytex ™ BT-93 and a synergist, antimony(III) oxide (Sb 2O 3).

  10. Direct measurements of the energy flux due to chemical reactions at the surface of a silicon sample interacting with a SF6 plasma

    CERN Document Server

    Dussart, Remi; Pichon, Laurianne E; Bedra, Larbi; Semmar, Nadjib; Lefaucheux, Philippe; Mathias, Jacky; Tessier, Yves; 10.1063/1.2995988

    2008-01-01

    Energy exchanges due to chemical reactions between a silicon surface and a SF6 plasma were directly measured using a heat flux microsensor (HFM). The energy flux evolution was compared with those obtained when only few reactions occur at the surface to show the part of chemical reactions. At 800 W, the measured energy flux due to chemical reactions is estimated at about 7 W.cm\\^{-2} against 0.4 W.cm\\^{-2} for ion bombardment and other contributions. Time evolution of the HFM signal is also studied. The molar enthalpy of the reaction giving SiF4 molecules was evaluated and is consistent with values given in literature.

  11. 能源化工产业节能减排新模式%New mode of energy saving and emission reduction in energy chemical industry

    Institute of Scientific and Technical Information of China (English)

    李大鹏

    2012-01-01

    The status of energy chemical industry in Northern Shaanxi is briefly introduced. The development situation of a variety of comprehensive utilization of resources and the carbon dioxide capture, utilization and storage (CCUS) industry which are implemented by Yanchang Petroleum Group is presented in detail. The advantages of Jingbian Project about raising the utilization rate of resources and saving energy and reducing emission are illustrated. Yanchang Petroleum group is exploring the new pattern of energy saving and emission reduction in energy and chemical industry, and walking a new path of economic construction and environmental protection coordinated development.%简述了陕北地区能源化工产业的现状,详细介绍了延长石油实施多种资源综合利用及二氧化碳的捕获、利用与封存(CCUS)产业的发展情况,重点介绍了靖边项目在提高资源利用率和节能减排方面的优势.对能源化工产业节能减排新模式进行了探索,走经济建设和环境保护协调发展的产业道路.

  12. Evaluation of prediction equations to estimate gross, digestible, and metabolizable energy content of maize dried distillers grains with solubles (DDGS) for swine based on chemical composition

    Science.gov (United States)

    The objective of this study was to cross-validate prediction equations to estimate the concentration of gross energy (GE), digestible energy (DE), and metabolizable energy (ME) among sources of corn distillers dried grains with solubles (DDGS) with variable chemical composition in growing pigs. Publ...

  13. Free energy of liquid water on the basis of quasi-chemical theory and ab initio molecular dynamics

    CERN Document Server

    Asthagiri, D; Kress, J D; Pratt, Lawrence R.

    2003-01-01

    We use ab initio molecular dynamics as a basis for quasi-chemical theory evaluation of the free energy of water near conventional liquid thermodynamic states. The PW91, PBE, and revised PBE (rPBE) functionals are employed. The oxygen radial density distribution, gOO(r), using the rPBE functional is in reasonable agreement with current experiments, whereas the PW91 and PBE functionals predict a more structured gOO(r). The diffusion coefficient with the rPBE functional is in reasonable accord with experiments. Using a maximum entropy procedure, we obtain x_0 from the coordination number distribution x_n for oxygen atoms having n neighbors. Likewise, we obtain p_0 from p_n, the probability of observing cavities of specified radius containing n water molecules. The probability x_0 is a measure of the local chemical interactions and is central to the quasi-chemical theory of solutions. The probability p_0, central to the theory of liquids, is a measure of the free energy required to open cavities of defined sizes ...

  14. Room temperature chemical synthesis of highly oriented PbSe nanotubes based on negative free energy of formation

    Energy Technology Data Exchange (ETDEWEB)

    Sankapal, B.R., E-mail: brsankapal@rediffmail.com [Thin Film and Nano Science Laboratory, Department of Physics, School of Physical Sciences, North Maharashtra University, Jalgaon 425 001 (MS) (India); Ladhe, R.D.; Salunkhe, D.B.; Baviskar, P.K. [Thin Film and Nano Science Laboratory, Department of Physics, School of Physical Sciences, North Maharashtra University, Jalgaon 425 001 (MS) (India); Gupta, V.; Chand, S. [Organic and Hybrid Solar Cell, Physics of Energy Harvesting Division, Dr. K.S. Krishnan Marg, National Physical Laboratory, New Delhi 110012 (India)

    2011-10-13

    Highlights: > Simple, inexpensive and room temperature chemical synthesis route. > Highly oriented PbSe nanotubes from Cd(OH){sub 2} nanowires through lead hydroxination. > The process was template free without the use of any capping agent. > Reaction kinetics was accomplished due to more negative free energy of formation. > The ion exchange mechanism due to difference in the solubility products. - Abstract: The sacrificial template free chemical synthesis of PbSe nanotubes at room temperature has been performed by lead hydroxination from cadmium hydroxide nanowires. This process was based on the ion exchange reaction to replace Cd{sup 2+} with Pb{sup 2+} ions from hydroxyl group followed by replacement of hydroxyl group with selenium ions. The reaction kinetics was accomplished due to more negative free energy of formation and thus the difference in the solubility products. The formed nanotubes were inclusive of Pb and Se with proper inter-chemical bonds with preferred orientations having diameter in tens of nanometer. These nanotubes can have future applications in electronic, optoelectronics and photovoltaic's as well.

  15. Stepping stones to significant market shares for renewables. The European forum for market players and decision makers in the renewable energy industry

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2007-07-01

    This invitation to a two-day European Forum for market players and decision makers in the renewable energy business lists the presentations made at the conference in 2007. The programme included contributions in the following areas: Policies and market deployment initiatives, market trends and experience - from support schemes to market experience, opportunities in a changing framework in Switzerland, instruments and infrastructure requirements - how to make the market work and supply and demand aspects of a growing market. The conference examined how renewable forms of energy can gain significant market shares and reach a quota of 50% renewables in 50 years. The first session examined policies and market deployment initiatives, the second market trends and experiences, the third opportunities for Switzerland in a changing framework. The second day featured sessions on instruments and infrastructure requirements as well as on supply and demand aspects in a growing market. The conference was complemented with four workshops.

  16. Economic and safe operation of isolated systems with significant contribution from renewable energy sources; Operacao economica e segura de sistemas isolados com grande penetracao de energias renovaveis

    Energy Technology Data Exchange (ETDEWEB)

    Matos, M.A. [Instituto de Engenharia de Sistemas e Computadores (INESC), Porto (Portugal); Vlachos, A; Androutsos, A. [NTUA, Atenas (Greece); Bakirtzis, T. [AUTH, Salonica (Greece); Gigantidou, A. [DEI, Heraklio (Greece). E-mail: mmatos@inescn.pt; avlachos@power.ece.ntua.gr; bakiana@eng.auth.gr; deh_kkf@iraklio.netor.gr

    1999-07-01

    Medium and large size isolated systems with a significant contribution from renewable energy sources, specifically eolic energy, are not conveniently operated at the present, neither by the conventional ways of unit commitment/load dispatcher nor by the simplified procedures used in the small isolated power networks. This paper presents a new approaching, in the CARE framework which is financially supported by the European Union through the EEN-JOULE assistance program. The principal idea is to perform unit commitment on-line in the same dispatching cycle, by using the load forecasting and the more recent wind power. The process includes dynamic safety fast evaluation and a module for helping the decision making.

  17. Stepping stones to significant market shares for renewables. The European forum for market players and decision makers in the renewable energy industry

    International Nuclear Information System (INIS)

    This invitation to a two-day European Forum for market players and decision makers in the renewable energy business lists the presentations made at the conference in 2007. The programme included contributions in the following areas: Policies and market deployment initiatives, market trends and experience - from support schemes to market experience, opportunities in a changing framework in Switzerland, instruments and infrastructure requirements - how to make the market work and supply and demand aspects of a growing market. The conference examined how renewable forms of energy can gain significant market shares and reach a quota of 50% renewables in 50 years. The first session examined policies and market deployment initiatives, the second market trends and experiences, the third opportunities for Switzerland in a changing framework. The second day featured sessions on instruments and infrastructure requirements as well as on supply and demand aspects in a growing market. The conference was complemented with four workshops.

  18. The Energy Spectrum and the Chemical Composition of Primary Cosmic Rays with Energies from 1014 to 1016 eV

    Science.gov (United States)

    Ogio, S.; Kakimoto, F.; Kurashina, Y.; Burgoa, O.; Harada, D.; Tokuno, H.; Yoshii, H.; Morizawa, A.; Gotoh, E.; Nakatani, H.; Nishi, K.; Shimoda, S.; Tajima, N.; Yamada, Y.; Kaneko, T.; Murakami, K.; Toyoda, Y.; Matsubara, Y.; Mizumoto, Y.; Shirasaki, Y.; Tsunesada, Y.; Miranda, P.; Velarde, A.

    2004-09-01

    We have measured extensive air showers with primary energies above 6 TeV at Mount Chacaltaya in Bolivia. The data were collected by an air shower array called the Minimum Air Shower (MAS) array starting in 2000 March. We applied an equi-intensity analysis method to the extensive air showers extended over the region of their maximum development. We varied the mixture of protons and iron in our simulations and compared these to the data to determine the mixing ratio of protons as a function of the primary energy. Using this, we derived the primary energy spectrum from 1014 to 5×1016 eV. Consequently, we conclude that the power-law index of the spectrum changes gradually around 1015.5 eV and that the obtained proton ratio decreases with increasing energy. We directly measured the longitudinal development of air showers generated by primaries with energies around the knee. We found that the average mass number of primary cosmic rays shows a steady increase with energy above 1014.5 eV and that the dominant component around the knee is not protons.

  19. Automated fit of high-dimensional potential energy surfaces using cluster analysis and interpolation over descriptors of chemical environment

    Energy Technology Data Exchange (ETDEWEB)

    Fournier, René, E-mail: renef@yorku.ca; Orel, Slava [Department of Chemistry, York University, Toronto, Ontario M3J 1P3 (Canada)

    2013-12-21

    We present a method for fitting high-dimensional potential energy surfaces that is almost fully automated, can be applied to systems with various chemical compositions, and involves no particular choice of function form. We tested it on four systems: Ag{sub 20}, Sn{sub 6}Pb{sub 6}, Si{sub 10}, and Li{sub 8}. The cost for energy evaluation is smaller than the cost of a density functional theory (DFT) energy evaluation by a factor of 1500 for Li{sub 8}, and 60 000 for Ag{sub 20}. We achieved intermediate accuracy (errors of 0.4 to 0.8 eV on atomization energies, or, 1% to 3% on cohesive energies) with rather small datasets (between 240 and 1400 configurations). We demonstrate that this accuracy is sufficient to correctly screen the configurations with lowest DFT energy, making this function potentially very useful in a hybrid global optimization strategy. We show that, as expected, the accuracy of the function improves with an increase in the size of the fitting dataset.

  20. Symposium on the Physical Chemistry of Solar Energy Conversion, Indianapolis American Chemical Society Meetings, Fall 2013

    Energy Technology Data Exchange (ETDEWEB)

    Lian, Tianquan [PI, Emory Univ.

    2013-09-20

    The Symposium on the Physical Chemistry of Solar Energy Conversion at the Fall ACS Meeting in Indianapolis, IN (Sept. 8-12) featured the following sessions (approx. 6 speakers per session): (1) Quantum Dots and Nanorods for Solar Energy Conversion (2 half-day sessions); (2) Artificial Photosynthesis: Water Oxidation; (3) Artificial Photosynthesis: Solar Fuels (2 half-day sessions); (4) Organic Solar Cells; (5) Novel Concepts for Solar Energy Conversion (2 half-day sessions); (6) Emerging Techniques for Solar Energy Conversion; (7) Interfacial Electron Transfer

  1. The investigation of chemical interaction and energy level alignment at Bepp2/Fe65Co35 interface

    Science.gov (United States)

    Wang, Zhen; Pan, Weiwei; Wang, Jinguo; Xu, Chunlong; Hou, Zhaoyang; Zuo, Yalu; Xi, Li

    2016-05-01

    In a bilayer system of Bepp2-FeCo, the element content variation and chemical states of the Bepp2-FeCo interface were investigated using X-ray and ultraviolet photoelectron spectroscopy with Ar ion etching. Chemical reaction was observed for Co and Fe with Bepp2 at the interface. Ultraviolet photoelectron spectroscopy results showed a downward energy shift of -1.0 eV at the interface. This behavior was attributed to the formation of an interface dipole layer. The hole injection barrier ΦpB was 2.0 eV, and the electronic injection barrier ΦnB was 0.6 eV. Moreover, only as the FeCo thickness is less than 3 nm, an uniaxial anisotropy can be induced on the organic layer with the investigation of magnetic optical Kerr effect, this can be used as a multi-function devices.

  2. Energy Effectiveness of Direct UV and UV/H2O2 Treatment of Estrogenic Chemicals in Biologically Treated Sewage

    DEFF Research Database (Denmark)

    Hansen, Kamilla Marie Speht; Andersen, Henrik Rasmus

    2012-01-01

    Continuous exposure of aquatic life to estrogenic chemicals via wastewater treatment plant effluents have in recent years received considerable attention due to the high sensitivity of oviparous animals to disturbances of estrogen controlled physiology. The removal efficiency by direct UV...... and the UV/H2O2-treatment were investigated in biologically treated sewage for most of the estrogenic compounds reported in wastewater. The investigated compounds included parabens, industrial phenols, sunscreen chemicals and steroid estrogens. Treatment experiments were performed in a flow through set......-up. The effect of different concentrations of H2O2 and different UV doses was investigated for all compounds in an effluent from a biological wastewater treatment plant. Removal effectiveness increased with H2O2 concentration until 60 mg/L. The treatment effectiveness was reported as the electrical energy...

  3. Chemical characterization of Lemna or 'Lenteja de Agua' from Titicaca Lake by energy dispersive x-ray fluorescence technique

    International Nuclear Information System (INIS)

    The objective of this work has been the chemical characterization of the Lemna or 'lenteja de agua', existing in the superficial water of the Lake Titicaca, the samples have been submitted to a rigorous process of cleaning, drying, crushing and shattering in a mortar of agate and pelletized to a 25 mm diameter into a hydraulic press. The samples were analyzed by Energy Dispersive X-Ray Fluorescence (EDXRF) technique, utilizing two XRF systems, one with radioactive Sources and another with an X-rays tube with Gadolinium and an assembly of secondary targets as excitation sources. The elements Al, Si, P, S, Cl, K, Ca, Cr, Mn, Fe, Co, Ni, Cu, Zn, As, Br, Rb, Sr, Sb, Ba, Pb were determined in its chemical composition. (orig.)

  4. Le traitement des déchets polymères : la valorisation énergétique ou chimique Treatment of Polymer Wastes: Chemical Or Energy Upgrading

    Directory of Open Access Journals (Sweden)

    Dawans F.

    2006-11-01

    Full Text Available Une protection accrue de l'environnement requiert la mise en place de nouvelles techniques fiables et économiques de traitement des déchets polymères. Parmi les diverses méthodes envisagées pour la réutilisation ou l'élimination des polymères usagés, les recyclages énergétiques et chimiques peuvent apporter des solutions satisfaisantes et complémentaires au recyclage de la matière. Cet article fait le point sur l'état d'avancement des techniques de valorisation énergétique et chimique des rejets de polymères et il propose une analyse critique des traitements actuels. Increased environmental protection requires the installation of new treatment techniques for polymer wastes. Competitive industrial facilities are not available from the economic standpoint for recycling spent plastic and rubber wastes in the form of materials, especially when mixtures are involved. It is only by using other treatment method for the chemical or energy upgrading of polymers, as a supplement to the recycling of materials, that it should be possible to make a significant reduction in the amount of spent polymers currently being scrapped. The energy upgrading of wastes by incineration with energy recovery or by pyrolysis with the formation of fuels in an interesting approach for a great many countries. When no reuse is possible, the energy content of the material is upgraded before the subsequent scrapping of an ultimate residue that is reduced to its incompressible minimum after having been inerted. There are currently several technical solutions for incineration furnaces and the treatment of the fumes produced, which meet the more and more severe requirements concerning environmental protection. Incineration systems with energy recovery can recover about 8000 thermies per ton of unsorted plastics. They already have an important position, albeit a varying one, from one European country to another (Table 6. They should develop considerably further in

  5. Harvest and utilization of chemical energy in wastes by microbial fuel cells.

    Science.gov (United States)

    Sun, Min; Zhai, Lin-Feng; Li, Wen-Wei; Yu, Han-Qing

    2016-05-21

    Organic wastes are now increasingly viewed as a resource of energy that can be harvested by suitable biotechnologies. One promising technology is microbial fuel cells (MFC), which can generate electricity from the degradation of organic pollutants. While the environmental benefits of MFC in waste treatment have been recognized, their potential as an energy producer is not fully understood. Although progresses in material and engineering have greatly improved the power output from MFC, how to efficiently utilize the MFC's energy in real-world scenario remains a challenge. In this review, fundamental understandings on the energy-generating capacity of MFC from real waste treatment are provided and the challenges and opportunities are discussed. The limiting factors restricting the energy output and impairing the long-term reliability of MFC are also analyzed. Several energy storage and in situ utilization strategies for the management of MFC's energy are proposed, and future research needs for real-world application of this approach are explored. PMID:26936021

  6. Energy and chemicals from the selective electrooxidation of renewable diols by organometallic fuel cells.

    Science.gov (United States)

    Bellini, Marco; Bevilacqua, Manuela; Filippi, Jonathan; Lavacchi, Alessandro; Marchionni, Andrea; Miller, Hamish A; Oberhauser, Werner; Vizza, Francesco; Annen, Samuel P; Grützmacher, H

    2014-09-01

    Organometallic fuel cells catalyze the selective electrooxidation of renewable diols, simultaneously providing high power densities and chemicals of industrial importance. It is shown that the unique organometallic complex [Rh(OTf)(trop2NH)(PPh3)] employed as molecular active site in an anode of an OMFC selectively oxidizes a number of renewable diols, such as ethylene glycol , 1,2-propanediol (1,2-P), 1,3-propanediol (1,3-P), and 1,4-butanediol (1,4-B) to their corresponding mono-carboxylates. The electrochemical performance of this molecular catalyst is discussed, with the aim to achieve cogeneration of electricity and valuable chemicals in a highly selective electrooxidation from diol precursors.

  7. The chemical chaperones tauroursodeoxycholic and 4-phenylbutyric acid accelerate thyroid hormone activation and energy expenditure

    Science.gov (United States)

    da-Silva, Wagner S.; Ribich, Scott; e Drigo, Rafael Arrojo; Castillo, Melany; Patty, Mary-Elizabeth; Bianco, Antonio C.

    2011-01-01

    Exposure of cell lines endogenously expressing the thyroid hormone activating enzyme type 2 deiodinase (D2) to the chemical chaperones tauroursodeoxycholic acid (TUDCA) or 4-phenylbutiric acid (4-PBA) increases D2 expression, activity and T3 production. In brown adipocytes, TUDCA or 4-PBA induced T3-dependent genes and oxygen consumption (~2-fold), an effect partially lost in D2 knockout cells. In wild type, but not in D2 knockout mice, administration of TUDCA lowered the respiratory quotient, doubled brown adipose tissue D2 activity and normalized the glucose intolerance associated with high fat feeding. Thus, D2 plays a critical role in the metabolic effects of chemical chaperones. PMID:21237159

  8. Significant improvements of the high-field properties of carbon-doped MgB2 films by hot-filament-assisted hybrid physical-chemical vapor deposition using methane as the doping source

    International Nuclear Information System (INIS)

    We report a significant enhancement in upper critical field Hc2 and irreversibility field Hirr in carbon-doped MgB2 films fabricated by hot-filament-assisted hybrid physical-chemical vapor deposition (HFA-HPCVD) using methane as the doping source. For the parallel field, a very large temperature derivative -dHc2parallelab/dT value of 3 T K-1 near Tc was achieved in a heavily doped film with Tc near 28 K. Carbon doping also enhanced flux pinning, resulting in a much higher critical current density in a magnetic field Jc(H) than in undoped samples. The result suggests a more effective doping of carbon into the MgB2 structure and a better connectivity between the carbon-doped MgB2 grains than in previous reports. A clear correlation between the decrease in grain size and the enhancement of Hc2 was observed. (rapid communication)

  9. A lattice theory for low energy fermions at finite chemical potential

    CERN Document Server

    Chen, J W; Chen, Jiunn-Wei; Kaplan, David B.

    2003-01-01

    We construct a lattice theory describing a system of interacting nonrelativistic spin s=1/2 fermions at finite chemical potential, which does not suffer from a sign problem. The theory is applicable whenever the interparticle separation is large compared to the range of the two-body potential. The theory could have applications to realistic atomic Bose-Einstein condensates and dilute neutron gases.

  10. Comparison of chemical composition and energy properties of torrefied switchgrass and corn stover

    Directory of Open Access Journals (Sweden)

    Jaya Shankar eTumuluru

    2015-11-01

    Full Text Available In the present study, 6-mm ground corn stover and switchgrass were torrefied in temperatures ranging from 180 to 270°C for 15 to 120-min residence time. Thermogravimetric analyzer was used to do the torrefaction studies. At a temperature of >270°C and a 30-min residence time the mass loss increased to >45%. At 180°C and 120 min there was about 56 and 73% of moisture loss in the corn stover and switchgrass further increasing the temperature to 270°C and 120 min resulted in about 78.8% to 88.18% moisture loss in both the feedstock. Additionally, at these temperatures there was significant decrease in ash and volatile content and increase in the fixed carbon content for both the biomasses tested. The ultimate composition like carbon content increased and hydrogen content decreased with increase in the torrefaction temperature and time. At 270°C and 15 min residence time, the carbon content observed was 54.92 and 53.94% and hydrogen content observed was 2.74 and 3.14%. Nitrogen and sulfur content measured at 270°C and 120 min were 0.98, 0.8, 0.076 and 0.07% for both the corn stover and switchgrass. The H/C and O/C ratio calculated decreased to the lowest values of 0.59 and 0.64, and 0.71 and 0.76 for both biomasses. The van Krevelen diagram drawn for corn stover and switchgrass torrefied at 270°C is closer to coals like Illinois Basis and Powder River Basin. In the present study the maximum higher heating that was observed by corn stover and switchgrass was 21.51 and 21.53 MJ/kg at 270°C and a 120-min residence time. From these results it can be concluded that corn stover and switchgrass, after torrefaction, shows consistent proximate, ultimate, and energy properties.

  11. Unification of ground-state aromaticity criteria - structure, electron delocalization, and energy - in light of the quantum chemical topology.

    Science.gov (United States)

    Badri, Zahra; Foroutan-Nejad, Cina

    2016-04-28

    In the present account we investigate a theoretical link between the bond length, electron sharing, and bond energy within the context of quantum chemical topology theories. The aromatic stabilization energy, ASE, was estimated from this theoretical link without using isodesmic reactions for the first time. The ASE values obtained from our method show a meaningful correlation with the number of electrons contributing to the aromaticity. This theoretical link demonstrates that structural, electronic, and energetic criteria of aromaticity - ground-state aromaticity - belong to the same class and guarantees that they assess the same property as aromaticity. Theory suggests that interatomic exchange-correlation potential, obtained from the theory of Interacting Quantum Atoms (IQA), is linearly connected to the delocalization index of Quantum Theory of Atoms in Molecules (QTAIM) and the bond length through a first order approximation. Our study shows that the relationship between energy, structure and electron sharing marginally deviates from the ideal linear form expected from the first order approximation. The observed deviation from linearity was attributed to a different contribution of exchange-correlation to the bond energy for the σ- and π-frameworks. Finally, we proposed two-dimensional energy-structure-based aromaticity indices in analogy to the electron sharing indices of aromaticity. PMID:26678719

  12. Chemical looping combustion: A new low-dioxin energy conversion technology.

    Science.gov (United States)

    Hua, Xiuning; Wang, Wei

    2015-06-01

    Dioxin production is a worldwide concern because of its persistence and carcinogenic, teratogenic, and mutagenic effects. The pyrolysis-chemical looping combustion process of disposing solid waste is an alternative to traditional solid waste incineration developed to reduce the dioxin production. Based on the equilibrium composition of the Deacon reaction, pyrolysis gas oxidized by seven common oxygen carriers, namely, CuO, NiO, CaSO4, CoO, Fe2O3, Mn3O4, and FeTiO3, is studied and compared with the pyrolysis gas directly combusted by air. The result shows that the activity of the Deacon reaction for oxygen carriers is lower than that for air. For four typical oxygen carriers (CuO, NiO, Fe2O3, and FeTiO3), the influences of temperature, pressure, gas composition, and tar on the Deacon reaction are discussed in detail. According to these simulation results, the dioxin production in China, Europe, the United States, and Japan is predicted for solid waste disposal by the pyrolysis-chemical looping combustion process. Thermodynamic analysis results in this paper show that chemical looping combustion can reduce dioxin production in the disposal of solid waste. PMID:26040740

  13. Chemical Profiles of Wood Components of Poplar Clones for Their Energy Utilization

    Directory of Open Access Journals (Sweden)

    Danica Kačíková

    2012-12-01

    Full Text Available Selected and tested poplar clones are very suitable biomass resources for various applications such as biofuels, the pulp and paper industry as well as chemicals production. In this study, we determined the content of lignin, cellulose, holocellulose, and extractives, syringyl to guaiacyl (S/G ratio in lignin, and also calculated higher heating values (HHV among eight examined clones of Populus grown on three different experimental sites. The highest lignin content for all the examined sites was determined in ‘I-214’ and ‘Baka 5’ clones, whereas the highest content of extractives was found in ‘Villafranca’ and ‘Baka 5’ clones. The highest S/G ratio for all the examined sites was determined in ‘Villafranca’ and ‘Agathe F’ clones. The chemical profiles of main wood components, extractives, and the S/G ratio in lignin were also influenced by both the experimental site and the clone × site interaction. Higher heating values, derived from calculations based on the contents of lignin and extractives (or lignin only, were in close agreement with the previously published data. The highest heating values were found for ‘Baka 5’ and ‘I-214’ clones. The optimal method of poplar biomass utilization can be chosen on basis of the lignocellulosics chemical composition and the S/G ratio in lignin.

  14. Chemical looping combustion: A new low-dioxin energy conversion technology.

    Science.gov (United States)

    Hua, Xiuning; Wang, Wei

    2015-06-01

    Dioxin production is a worldwide concern because of its persistence and carcinogenic, teratogenic, and mutagenic effects. The pyrolysis-chemical looping combustion process of disposing solid waste is an alternative to traditional solid waste incineration developed to reduce the dioxin production. Based on the equilibrium composition of the Deacon reaction, pyrolysis gas oxidized by seven common oxygen carriers, namely, CuO, NiO, CaSO4, CoO, Fe2O3, Mn3O4, and FeTiO3, is studied and compared with the pyrolysis gas directly combusted by air. The result shows that the activity of the Deacon reaction for oxygen carriers is lower than that for air. For four typical oxygen carriers (CuO, NiO, Fe2O3, and FeTiO3), the influences of temperature, pressure, gas composition, and tar on the Deacon reaction are discussed in detail. According to these simulation results, the dioxin production in China, Europe, the United States, and Japan is predicted for solid waste disposal by the pyrolysis-chemical looping combustion process. Thermodynamic analysis results in this paper show that chemical looping combustion can reduce dioxin production in the disposal of solid waste.

  15. Thermodynamics of chemical free energy generation in off-axis hydrothermal vent systems and its consequences for compartmentalization and the emergence of life

    CERN Document Server

    Simoncini, E; Gallori, E; .,

    2010-01-01

    In this paper we demonstrate how chemical free energy can be produced by a geological process. We provide a thermodynamic framework in which to assess how life emerged at the off-axis hydrothermal vent system; the RNA - clays system has been investigated from the entropic point of view, showing that the stabilization of the system in a state further away from equilibrium state, by an inorganic heterogeneous compartmetalization phenomena, is able to produce chemical free energy useful for RNA self - replication.

  16. Evaluation of Energy Digestibility and Prediction of Digestible and Metabolizable Energy from Chemical Composition of Different Cottonseed Meal Sources Fed to Growing Pigs

    Science.gov (United States)

    Li, J. T.; Li, D. F.; Zang, J. J.; Yang, W. J.; Zhang, W. J.; Zhang, L. Y.

    2012-01-01

    The present experiment was conducted to determine the digestible energy (DE), metabolizable energy (ME) content, and the apparent total tract digestibility (ATTD) of energy in growing pigs fed diets containing one of ten cottonseed meals (CSM) collected from different provinces of China and to develop in vitro prediction equations for DE and ME content from chemical composition of the CSM samples. Twelve growing barrows with an initial body weight of 35.2±1.7 kg were allotted to two 6×6 Latin square designs, with six barrows and six periods and six diets for each. A corn-dehulled soybean meal diet was used as the basal diet, and the other ten diets were formulated with corn, dehulled soybean meal and 19.20% CSM. The DE, ME and ATTD of gross energy among different CSM sources varied largely and ranged from 1,856 to 2,730 kcal/kg dry matter (DM), 1,778 to 2,534 kcal/kg DM, and 42.08 to 60.47%, respectively. Several chemical parameters were identified to predict the DE and ME values of CSM, and the accuracy of prediction models were also tested. The best fit equations were: DE, kcal/kg DM = 670.14+31.12 CP+659.15 EE with R2 = 0.82, RSD = 172.02, p<0.05; and ME, kcal/kg DM = 843.98+25.03 CP+673.97 EE with R2 = 0.84, RSD = 144.79, p<0.05. These results indicate that DE, ME values and ATTD of gross energy varied substantially among different CSM sources, and that some prediction equations can be applied to predict DE and ME in CSM with an acceptable accuracy. PMID:25049499

  17. Alliance between chemical industry Astral Calcining, India, and energy company E.On Benelux; Verbond chemie en energie [tussen Astral Calcining, India en E.On Benelux

    Energy Technology Data Exchange (ETDEWEB)

    Roggen, M. (ed.)

    2003-03-01

    The Indian chemical concern Astral Calcining (produces carbon for the aluminium industry) will supply high-pressure steam to the energy company E.ON Benelux, to be used by Lyondell Bayer (producer of propylene oxide). In exchange, Astral will receive electricity from E.On Benelux. This is a unique co-operation between companies with different production processes and cultures. [Dutch] Het Indiase chemieconcern Astral gaat aan E.ON Benelux hogedruk stoom leveren die bestemd is voor Lyondell Bayer. In ruil daarvoor ontvangt Astral elektriciteit. Een unieke samenwerking tussen concerns met totaal andere productieprocessen en uiteenlopende culturen.

  18. Comparison between conventional chemical processes and bioprocesses in cotton fabrics

    OpenAIRE

    Mojsov, Kiro

    2015-01-01

    Textile processing is a growing industry that traditionally has used a lot of water, energy and harsh chemicals. They are also not easily biodegradable. Biotechnology in textiles is one of the revolutionary ways to promote the textile field. Bio-processing were accompanied by a significant lower demand of energy, water, chemicals, time and costs. Due to the ever growing costs for water and energy worldwide investigations are carried out to substitute conventional chemical textile processes by...

  19. Quantum-chemical modeling of energy parameters and vibrational spectra of chain and cyclic clusters of monohydric alcohols

    Energy Technology Data Exchange (ETDEWEB)

    Golub, P., E-mail: pavelgolub87@gmail.com; Doroshenko, I.; Pogorelov, V.

    2014-05-01

    The specific peculiarities of alcohols such as heightened viscosity, boiling temperature and surface tension can be explained by the capability of their molecules to form relatively stable associates named clusters due to hydrogen bonding. In present work the stability of different chain-like and cyclic clusters of methanol, ethanol, 1-propanol, 1-butanol, 1-pentanol and 1-hexanol was investigated by means of quantum-chemical simulation and particular by recently developed DFT exchange–correlation functional M06-2X. The relative stability of the cluster structure was evaluated by the total energy per molecule at low temperatures (where all alcohols exist in solid state) and by the changing of the free Gibbs energy upon cluster formation at the room temperature. For the verification of revealed results the conformity of calculated IR spectra of the most stable cluster structures with the experimental IR spectra at different temperatures was analyzed.

  20. The Microstructure and Chemical Bonds of β-C2S Under the High Energy Ball Grinding Function

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Using the laser granularity survey technology, X- ray powder diffraction, scanning electron mi croscopy (SEM) and infrared spectrum analysis methods, we studied the microscopic structure and chemical bonds changes of β- C2 S monomineral under the high energy ball grinding function .The result indicates that, continuously under the mechanical power, β-C2 S crystal size would decrease, the micro strain and the effective Beff parameter would increase, and the amorphous phases would be presented. Furthermore, the mechanical power would cause Si- O bond broken and reorganized, the specific surface area would increase, the energy of micro-pow der agglomeration vibration would be enhanced and the crystal would be disordered .Finally, β- C2 S was caused to have the mechanochemical change and the activity enhancement.

  1. Micro-Cogeneration Incl. The Conversion of Chemical Energy of Biomass to Electric Energy and the Low Potential Heat

    Science.gov (United States)

    Huzvar, Jozef; Kapjor, Andrej

    2011-06-01

    This article deals with combined production of heat and electricity for small premises, such as households, where energy consumption is around few kilowatts. This proposal of micro co-generation unit uses as a heat source an automatic burner for combustion of wood pellets. Construction of an equipment for the heat transport can be designed using different basic ways of heat transfer. Electricity is produced by the two-stroke steam engine and the generator.

  2. Effect of ultrasound energy on the zeolitization of chemical extracts from fused coal fly ash.

    Science.gov (United States)

    Bukhari, Syed Salman; Rohani, Sohrab; Kazemian, Hossein

    2016-01-01

    This paper investigates the effects of ultrasound (UTS) energy at different temperatures on the zeolitization of aluminosilicate constituents of coal fly ash. UTS energy irradiated directly into the reaction mixture utilizing a probe immersed into the reaction mixture, unlike previously reported works that have used UTS baths. Controlled synthesis was also conducted at constant stirring and at the same temperatures using conventional heating. The precursor reaction solution was obtained by first fusing the coal fly ash with sodium hydroxide at 550°C followed by dissolution in water and filtration. The synthesized samples were characterized by XRF, XRD, SEM and TGA. The crystallinity of crystals produced with UTS assisted conversion compared to conventional conversion at 85°C was twice as high. UTS energy also reduced the induction time from 60 min to 40 min and from 80 min to 60 min for reaction temperatures of 95°C and 85°C, respectively. Prolonging the UTS irradiation at 95°C resulted in the conversion of zeolite-A crystals to hydroxysodalite, which is a more stable zeolitic phase. It was found that at 85°C coupled with ultrasound energy produced the best crystalline structure with a pure single phase of zeolite-A. It has been shown that crystallization using UTS energy can produce zeolitic crystals at lower temperatures and within 1h, dramatically cutting the synthesis time of zeolite. PMID:26384882

  3. Energy Effectiveness of Direct UV and UV/H2O2 Treatment of Estrogenic Chemicals in Biologically Treated Sewage

    Directory of Open Access Journals (Sweden)

    Kamilla M. S. Hansen

    2012-01-01

    Full Text Available Continuous exposure of aquatic life to estrogenic chemicals via wastewater treatment plant effluents has in recent years received considerable attention due to the high sensitivity of oviparous animals to disturbances of estrogen-controlled physiology. The removal efficiency by direct UV and the UV/H2O2 treatment was investigated in biologically treated sewage for most of the estrogenic compounds reported in wastewater. The investigated compounds included parabens, industrial phenols, sunscreen chemicals, and steroid estrogens. Treatment experiments were performed in a flow through setup. The effect of different concentrations of H2O2 and different UV doses was investigated for all compounds in an effluent from a biological wastewater treatment plant. Removal effectiveness increased with H2O2 concentration until 60 mg/L. The treatment effectiveness was reported as the electrical energy consumed per unit volume of water treated required for 90% removal of the investigated compound. It was found that the removal of all the compounds was dependent on the UV dose for both treatment methods. The required energy for 90% removal of the compounds was between 28 kWh/m3 (butylparaben and 1.2 kWh/m3 (estrone for the UV treatment. In comparison, the UV/H2O2 treatment required between 8.7 kWh/m3 for bisphenol A and benzophenone-7 and 1.8 kWh/m3 for ethinylestradiol.

  4. A novel power generation system based on moderate conversion of chemical energy of coal and natural gas

    Energy Technology Data Exchange (ETDEWEB)

    Wei Han; Hongguang Jin; Rumou Lin [Chinese Academy of Sciences, Beijing (China). Institute of Engineering Thermophysics

    2011-01-15

    This paper proposes a novel power generation system that implements mutually beneficial use of natural gas and coal. In conventional power plants fossil fuels are usually directly burned with air to convert the chemical energy to thermal energy for power generation. In combustion processes, about 30% of exergy of fuels is destructed, and the decrease in the irreversibility of combustion processes has large potential to improve the performance of power plants. The new system attempts to use chemical exergy of fuels before combustion through coordinated use of coal and natural gas. First approximate 60% of coal is gasified in a gasifier with air and steam as oxidant, then, the unconverted residuals (char) and natural gas are utilized synthetically based on the method of char-fired reforming to generate syngas, in which the combustion of char will drive the methane/steam-reforming reaction. The fuel gas from the partial gasification of coal and syngas from char-fired reforming are mixed together and fed into a combined cycle for power generation. As a result, the overall thermal efficiency of the new system is about 51.5% based on the current turbine technologies and the net thermal efficiency of coal to electricity of the new system can reach near 48.6%. The results obtained here may provide a new way of using coal and natural gas more efficiently and economically. 28 refs., 6 figs., 6 tabs., 1 app.

  5. Equilibrium Chemical Engines

    OpenAIRE

    Shibata, Tatsuo; Sasa, Shin-ichi

    1997-01-01

    An equilibrium reversible cycle with a certain engine to transduce the energy of any chemical reaction into mechanical energy is proposed. The efficiency for chemical energy transduction is also defined so as to be compared with Carnot efficiency. Relevance to the study of protein motors is discussed. KEYWORDS: Chemical thermodynamics, Engine, Efficiency, Molecular machine.

  6. Characterisation of chemical composition and energy content of green waste and municipal solid waste from Greater Brisbane, Australia.

    Science.gov (United States)

    Hla, San Shwe; Roberts, Daniel

    2015-07-01

    The development and deployment of thermochemical waste-to-energy systems requires an understanding of the fundamental characteristics of waste streams. Despite Australia's growing interest in gasification of waste streams, no data are available on their thermochemical properties. This work presents, for the first time, a characterisation of green waste and municipal solid waste in terms of chemistry and energy content. The study took place in Brisbane, the capital city of Queensland. The municipal solid waste was hand-sorted and classified into ten groups, including non-combustibles. The chemical properties of the combustible portion of municipal solid waste were measured directly and compared with calculations made based on their weight ratios in the overall municipal solid waste. The results obtained from both methods were in good agreement. The moisture content of green waste ranged from 29% to 46%. This variability - and the tendency for soil material to contaminate the samples - was the main contributor to the variation of samples' energy content, which ranged between 7.8 and 10.7MJ/kg. The total moisture content of food wastes and garden wastes was as high as 70% and 60%, respectively, while the total moisture content of non-packaging plastics was as low as 2.2%. The overall energy content (lower heating value on a wet basis, LHVwb) of the municipal solid waste was 7.9MJ/kg, which is well above the World Bank-recommended value for utilisation in thermochemical conversion processes. PMID:25882791

  7. Life-cycle fossil energy consumption and greenhouse gas emissions of bioderived chemicals and their conventional counterparts.

    Science.gov (United States)

    Adom, Felix; Dunn, Jennifer B; Han, Jeongwoo; Sather, Norm

    2014-12-16

    Biomass-derived chemical products may offer reduced environmental impacts compared to their fossil-derived counterparts and could improve profit margins at biorefineries when coproduced with higher-volume, lower-profit margin biofuels. It is important to assess on a life-cycle basis the energy and environmental impacts of these bioproducts as compared to conventional, fossil-derived products. We undertook a life-cycle analysis of eight bioproducts produced from either algal-derived glycerol or corn stover-derived sugars. Selected on the basis of technology readiness and market potential, the bioproducts are propylene glycol, 1,3-propanediol, 3-hydroxypropionic acid, acrylic acid, polyethylene, succinic acid, isobutanol, and 1,4-butanediol. We developed process simulations to obtain energy and material flows in the production of each bioproduct and examined sensitivity of these flows to process design assumptions. Conversion process data for fossil-derived products were based on the literature. Conversion process data were combined with upstream parameters in the Greenhouse gases, Regulated Emissions, and Energy use in Transportation (GREET) model to generate life-cycle greenhouse gas (GHG) emissions and fossil energy consumption (FEC) for each bioproduct and its corresponding petroleum-derived product. The bioproducts uniformly offer GHG emissions reductions compared to their fossil counterparts ranging from 39 to 86% on a cradle-to-grave basis. Similarly, FEC was lower for bioproducts than for conventional products. PMID:25380298

  8. On chemical equilibrium in high-energy heavy-ion collisions

    CERN Document Server

    Kaneta, M

    2001-01-01

    The thermal fitting parameters depend on the phase space coverage. It is questionable to interpret the fitting results extracted from the experimental measured particle yields within finite phase space. We test this idea with the transport models RQMD and NEXUS for heavy-ion collisions at both SPS and RHIC energies. (11 refs).

  9. Transport of low energy electrons in water and some physico-chemical implications

    International Nuclear Information System (INIS)

    Considerable effort by numerous groups is currently being devoted to measuring or calculating cross-sections for use as input to Monte-Carlo studies of radiation effects. We address the question of how well do low-energy cross-sections need to be known in order to calculate adequately quantities of interest in the radiobiological domain. 11 references, 4 figures

  10. Large-scale quantum mechanical scattering calculations for molecular energy transfer and chemical reactions

    International Nuclear Information System (INIS)

    The authors discuss two projects involving quantal collision theory calculations on supercomputers. In the first project the authors are considering HF-HF collisions and calculating rotational energy transfer for collisions of rigid molecules and vibrational-to-vibrational (V-V) energy transfer for collisions including all degrees of freedom. They examined several potential energy surfaces, and they parametrized a new one that should be more accurate for the cross correlation of the forces. For rotational energy transfer they also compared the results to classical trajectory calculations. The quantal calculations were carried out by integrating the close coupling equations with scattering boundary conditions using an extensively vectorized R matrix propagation code on the Control Data Corporation Cyber 205 computer. In the second project they are considering atom-diatom reactive collisions for low initial rotational states and both the ground and first excited vibrational state. The three arrangement channels (A =BC, AB+C, and AC+B) are coupled by the Fock scheme, and the reactive amplitude density (obtained by operating on the initial state with the reactance operator or the total wave function with the interaction potential) is expanded in a square-integrable basis set. This leads to a large system of coupled algebraic equations which are constructed and solved using a large-memory Cray-2 computer. Variational improvements have been tested successfully for nonreactive collisions and will soon be implemented for reactive collisions

  11. The Issue of Calculating the Final Temperature of the Products of Rapid Exothermic Chemical Reactions with Significant Energy Release in a Closed Volume

    Directory of Open Access Journals (Sweden)

    Lazarev V.

    2016-02-01

    Full Text Available The theoretical problem solved in this article is the calculation of thermodynamic parameters such as final temperature, distribution of the liquid and dry saturated vapour phases of the substance that are considered to be in thermodynamic equilibrium, and pressure of the system of several reaction products after adding to the system a certain amount of heat or the thermal effect released during rapid exothermic reaction in a closed volume that occurs so fast that it can be considered to be adiabatic, and when the volume of liquid reagents is several orders of magnitude less than the volume of the reactor. The general multi-substance problem is reduced to a theoretical problem for one substance of calculation thermodynamic parameters of system after adding a certain amount of heat that gives theoretically rigorous isochoric calculation. In this article, we substantiate our view that isochoric pass of calculation is more robust compared to seemingly more natural isobaric pass of calculation, if the later involves quite not trivial calculation of the adiabatic compression of a two-phase system (liquid – dry saturated vapour that can pass itself into another kind of state (liquid – wet saturated vapour, which requires, apparently, more complex descriptions compared with isochoric calculation because the specific heat capacity of wet saturated vapour can be negative.

  12. The Issue of Calculating the Final Temperature of the Products of Rapid Exothermic Chemical Reactions with Significant Energy Release in a Closed Volume

    Science.gov (United States)

    Lazarev, V.; Geidmanis, D.

    2016-02-01

    The theoretical problem solved in this article is the calculation of thermodynamic parameters such as final temperature, distribution of the liquid and dry saturated vapour phases of the substance that are considered to be in thermodynamic equilibrium, and pressure of the system of several reaction products after adding to the system a certain amount of heat or the thermal effect released during rapid exothermic reaction in a closed volume that occurs so fast that it can be considered to be adiabatic, and when the volume of liquid reagents is several orders of magnitude less than the volume of the reactor. The general multi-substance problem is reduced to a theoretical problem for one substance of calculation thermodynamic parameters of system after adding a certain amount of heat that gives theoretically rigorous isochoric calculation. In this article, we substantiate our view that isochoric pass of calculation is more robust compared to seemingly more natural isobaric pass of calculation, if the later involves quite not trivial calculation of the adiabatic compression of a two-phase system (liquid - dry saturated vapour) that can pass itself into another kind of state (liquid - wet saturated vapour), which requires, apparently, more complex descriptions compared with isochoric calculation because the specific heat capacity of wet saturated vapour can be negative. The solved theoretical problem relates to a practical problem that has been a driver for our research as part of a design of the reactor of the titanium reduction from magnesium and titanium tetrachloride supplied into atmosphere of the reactor at high temperatures when both reagents are in gaseous state. The reaction is known to be exothermic with a high thermal effect, and estimate of the final temperature and pressure of the products of reaction, for instance, designing the reactor allows eliminating the possibility of the reaction products to penetrate backwards into supply tracts of the reagents. Using a rigid theoretical approach and heuristics of thermodynamic parameters of reaction products available in the literature, we have presented a graphical dependence of final temperature, pressure ratio of the liquid and vapour state of titanium after the reaction on the initial temperature of the reactor and magnesium in the range of 1200-1800 °K while titanium tetrachloride is injected into reactor at its critical temperature.

  13. Chemical bonding in view of electron charge density and kinetic energy density descriptors.

    Science.gov (United States)

    Jacobsen, Heiko

    2009-05-01

    Stalke's dilemma, stating that different chemical interpretations are obtained when one and the same density is interpreted either by means of natural bond orbital (NBO) and subsequent natural resonance theory (NRT) application or by the quantum theory of atoms in molecules (QTAIM), is reinvestigated. It is shown that within the framework of QTAIM, the question as to whether for a given molecule two atoms are bonded or not is only meaningful in the context of a well-defined reference geometry. The localized-orbital-locator (LOL) is applied to map out patterns in covalent bonding interaction, and produces results that are consistent for a variety of reference geometries. Furthermore, LOL interpretations are in accord with NBO/NRT, and assist in an interpretation in terms of covalent bonding. PMID:19090572

  14. The Influence of the Feed Protein and Energy Level on the Meat Chemical Composition at „Lohmann Meat” Hybrid

    Directory of Open Access Journals (Sweden)

    Adela Marcu

    2011-10-01

    Full Text Available In this paper was studied the influence of feed energy-protein level on meat chemical composition depending on sex and anatomical region for chicken broiler belonging „LOHMANN MEAT” hybrid, slaughtered at 42 days old. The two groups (control group-Lc and experimental groups-Lexp. were given feed mixed with different level of energy and protein (Lc-standard hybrid, Lexp.-higher by 10% compared to standard hybrid. After slaughter, from each group were sampled 10 carcasses (five females and five males, and from different portions of the carcass (breast, thighs and shanks, was determined the meat chemical composition (water, dry matter, protein, lipids and minerals using STAS methods. For males the pectoral muscle had a greater amount of dry matter, compared with females, the situation is reversed when has been referring to the muscles of the thighs and shanks. The proteins content in meat has presented variation depending on: sex (in males was registred big values comparative with females, anatomical region (in pectorals was registred maximum values and in thighs minimum values and nutrition (feed with energy and protein high level was determined incresed content the protein in meat. The lipids content in meat showed the biggest variation between muscles analyzed, with minimum values in the pectoral muscles (from 0.67 at males-Lexp. to 0,95% in females-Lc and maximum values in the upper thigh muscles (from 6.97% in males-Lexp. to 8,23% in females-Lc. The high quality value on meat has been at the Lexp. group, which in all cases had the highest protein content and lowest lipids content in muscles.

  15. Electronic torsional sound in linear atomic chains: chemical energy transport at 1000 km/s

    CERN Document Server

    Kurnosov, Arkady A; Maksymov, Andrii A; Burin, Alexander L

    2016-01-01

    We investigate entirely electronic torsional vibrational modes in linear cumulene chains. The carbon nuclei of a cumulene are positioned along the primary axis so they can participate only in transverse and longitudinal motions. However, the interatomic electronic clouds behave as a torsion spring with remarkable torsional stiffness. The collective dynamics of these clouds can be described in terms of electronic vibrational quanta, which we name torsitons. It is shown that the group velocity of the wavepacket of torsitons is much higher than the typical speed of sound, because of the small mass of participating electrons compared to the atomic mass. For the same reason the maximum energy of the torsitons in cumulenes is as high as a few electronvolts, while the minimum possible energy is evaluated as a few hundred wavenumbers and this minimum is associated with asymmetry of zero point atomic vibrations. Molecular systems for experimental evaluation of the predictions are proposed.

  16. Exploring potential energy surfaces for chemical reactions: an overview of some practical methods.

    Science.gov (United States)

    Schlegel, H Bernhard

    2003-09-01

    Potential energy surfaces form a central concept in the application of electronic structure methods to the study of molecular structures, properties, and reactivities. Recent advances in tools for exploring potential energy surfaces are surveyed. Methods for geometry optimization of equilibrium structures, searching for transition states, following reaction paths and ab initio molecular dynamics are discussed. For geometry optimization, topics include methods for large molecules, QM/MM calculations, and simultaneous optimization of the wave function and the geometry. Path optimization methods and dynamics based techniques for transition state searching and reaction path following are outlined. Developments in the calculation of ab initio classical trajectories in the Born-Oppenheimer and Car-Parrinello approaches are described. PMID:12868114

  17. Confidence limits of SN, Kinetic Energy and chemical yields in evolutionary synthesis models

    CERN Document Server

    Luridiana, V

    2001-01-01

    When evolutionary synthesis models take into account the stochastic nature of the IMF together with the discrete number of stars in real stellar clusters, typical output turns to dispersion band (where real data can be placed) instead of narrow lines. We present here a qualitative analysis of such dispersion in the SN rate, the kinetic energy and the 14N/12C ratio for different amounts of mass transformed into stars.

  18. A periodic energy decomposition analysis method for the investigation of chemical bonding in extended systems

    Science.gov (United States)

    Raupach, Marc; Tonner, Ralf

    2015-05-01

    The development and first applications of a new periodic energy decomposition analysis (pEDA) scheme for extended systems based on the Kohn-Sham approach to density functional theory are described. The pEDA decomposes the bonding energy between two fragments (e.g., the adsorption energy of a molecule on a surface) into several well-defined terms: preparation, electrostatic, Pauli repulsion, and orbital relaxation energies. This is complemented by consideration of dispersion interactions via a pairwise scheme. One major extension toward a previous implementation [Philipsen and Baerends, J. Phys. Chem. B 110, 12470 (2006)] lies in the separate discussion of electrostatic and Pauli and the addition of a dispersion term. The pEDA presented here for an implementation based on atomic orbitals can handle restricted and unrestricted fragments for 0D to 3D systems considering periodic boundary conditions with and without the determination of fragment occupations. For the latter case, reciprocal space sampling is enabled. The new method gives comparable results to established schemes for molecular systems and shows good convergence with respect to the basis set (TZ2P), the integration accuracy, and k-space sampling. Four typical bonding scenarios for surface-adsorbate complexes were chosen to highlight the performance of the method representing insulating (CO on MgO(001)), metallic (H2 on M(001), M = Pd, Cu), and semiconducting (CO and C2H2 on Si(001)) substrates. These examples cover diverse substrates as well as bonding scenarios ranging from weakly interacting to covalent (shared electron and donor acceptor) bonding. The results presented lend confidence that the pEDA will be a powerful tool for the analysis of surface-adsorbate bonding in the future, enabling the transfer of concepts like ionic and covalent bonding, donor-acceptor interaction, steric repulsion, and others to extended systems.

  19. A periodic energy decomposition analysis method for the investigation of chemical bonding in extended systems

    Energy Technology Data Exchange (ETDEWEB)

    Raupach, Marc; Tonner, Ralf, E-mail: tonner@chemie.uni-marburg.de [Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Straße, 35032 Marburg (Germany)

    2015-05-21

    The development and first applications of a new periodic energy decomposition analysis (pEDA) scheme for extended systems based on the Kohn-Sham approach to density functional theory are described. The pEDA decomposes the bonding energy between two fragments (e.g., the adsorption energy of a molecule on a surface) into several well-defined terms: preparation, electrostatic, Pauli repulsion, and orbital relaxation energies. This is complemented by consideration of dispersion interactions via a pairwise scheme. One major extension toward a previous implementation [Philipsen and Baerends, J. Phys. Chem. B 110, 12470 (2006)] lies in the separate discussion of electrostatic and Pauli and the addition of a dispersion term. The pEDA presented here for an implementation based on atomic orbitals can handle restricted and unrestricted fragments for 0D to 3D systems considering periodic boundary conditions with and without the determination of fragment occupations. For the latter case, reciprocal space sampling is enabled. The new method gives comparable results to established schemes for molecular systems and shows good convergence with respect to the basis set (TZ2P), the integration accuracy, and k-space sampling. Four typical bonding scenarios for surface-adsorbate complexes were chosen to highlight the performance of the method representing insulating (CO on MgO(001)), metallic (H{sub 2} on M(001), M = Pd, Cu), and semiconducting (CO and C{sub 2}H{sub 2} on Si(001)) substrates. These examples cover diverse substrates as well as bonding scenarios ranging from weakly interacting to covalent (shared electron and donor acceptor) bonding. The results presented lend confidence that the pEDA will be a powerful tool for the analysis of surface-adsorbate bonding in the future, enabling the transfer of concepts like ionic and covalent bonding, donor-acceptor interaction, steric repulsion, and others to extended systems.

  20. Effect of dry oxidation on the energy gap and chemical composition of CVD graphene on nickel

    OpenAIRE

    Aria, Adrianus I.; Adi W. Gani; Gharib, Morteza

    2014-01-01

    The findings presented herein show that the electronic properties of CVD graphene on nickel can be altered from metallic to semiconducting by introducing oxygen adsorbates via UV/ozone or oxygen plasma treatment. These properties can be partially recovered by removing the oxygen adsorbates via vacuum annealing treatment. The effect of oxidation is studied by scanning tunneling microscopy/spectroscopy (STM/STS) and X-ray photoelectron spectroscopy (XPS). As probed by STM/STS, an energy gap ope...

  1. Plasmon-assisted water splitting using two sides of the same SrTiO₃ single-crystal substrate: conversion of visible light to chemical energy.

    Science.gov (United States)

    Zhong, Yuqing; Ueno, Kosei; Mori, Yuko; Shi, Xu; Oshikiri, Tomoya; Murakoshi, Kei; Inoue, Haruo; Misawa, Hiroaki

    2014-09-22

    A plasmon-induced water splitting system that operates under irradiation by visible light was successfully developed; the system is based on the use of both sides of the same strontium titanate (SrTiO3) single-crystal substrate. The water splitting system contains two solution chambers to separate hydrogen (H2) and oxygen (O2). To promote water splitting, a chemical bias was applied by regulating the pH values of the chambers. The quantity of H2 evolved from the surface of platinum, which was used as a reduction co-catalyst, was twice the quantity of O2 evolved from an Au-nanostructured surface. Thus, the stoichiometric evolution of H2 and O2 was clearly demonstrated. The hydrogen-evolution action spectrum closely corresponds to the plasmon resonance spectrum, indicating that the plasmon-induced charge separation at the Au/SrTiO3 interface promotes water oxidation and the subsequent reduction of a proton on the backside of the SrTiO3 substrate. The chemical bias is significantly reduced by plasmonic effects, which indicates the possibility of constructing an artificial photosynthesis system with low energy consumption. PMID:24988943

  2. Chemical reaction versus vibrational quenching in low energy collisions of vibrationally excited OH with O

    Energy Technology Data Exchange (ETDEWEB)

    Pradhan, G. B.; Juanes-Marcos, J. C.; Balakrishnan, N., E-mail: naduvala@unlv.nevada.edu [Department of Chemistry, University of Nevada Las Vegas, Las Vegas, Nevada 89154 (United States); Kendrick, Brian K. [Theoretical Division (T-1, MS B221), Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

    2013-11-21

    Quantum scattering calculations are reported for state-to-state vibrational relaxation and reactive scattering in O + OH(v = 2 − 3, j = 0) collisions on the electronically adiabatic ground state {sup 2}A′′ potential energy surface of the HO{sub 2} molecule. The time-independent Schrödinger equation in hyperspherical coordinates is solved to determine energy dependent probabilities and cross sections over collision energies ranging from ultracold to 0.35 eV and for total angular momentum quantum number J = 0. A J-shifting approximation is then used to compute initial state selected reactive rate coefficients in the temperature range T = 1 − 400 K. Results are found to be in reasonable agreement with available quasiclassical trajectory calculations. Results indicate that rate coefficients for O{sub 2} formation increase with increasing the OH vibrational level except at low and ultralow temperatures where OH(v = 0) exhibits a slightly different trend. It is found that vibrational relaxation of OH in v = 2 and v = 3 vibrational levels is dominated by a multi-quantum process.

  3. Fingerprints of energy dissipation for exothermic surface chemical reactions: O2 on Pd(100)

    Science.gov (United States)

    Bukas, Vanessa J.; Mitra, Shubhrajyoti; Meyer, Jörg; Reuter, Karsten

    2015-07-01

    We present first-principles calculations of the sticking coefficient of O2 at Pd(100) to assess the effect of phononic energy dissipation on this kinetic parameter. For this, we augment dynamical simulations on six-dimensional potential energy surfaces (PESs) representing the molecular degrees of freedom with various effective accounts of surface mobility. In comparison to the prevalent frozen-surface approach, energy dissipation is found to qualitatively affect the calculated sticking curves. At the level of a generalized Langevin oscillator model, we achieve good agreement with experimental data. The agreement is similarly reached for PESs based on two different semi-local density-functional theory functionals. This robustness of the simulated sticking curve does not extend to the underlying adsorption mechanism, which is predominantly directly dissociative for one functional or molecularly trapped for the other. Completely different adsorption mechanisms therewith lead to rather similar sticking curves that agree equally well with the experimental data. This highlights the danger of the prevalent practice to extract corresponding mechanistic details from simple fingerprints of measured sticking data for such exothermic surface reactions.

  4. Sensitization and quenching in the conversion of light energy into chemical energy. Progress report, February 1, 1980-January 31, 1981

    Energy Technology Data Exchange (ETDEWEB)

    Cristol, S.J.

    1980-09-01

    Extensive data from Stern-Volmer, Lamola-Hammond, and Ilenda-Daughenbaugh-Cristol quenching kinetics have now been accumulated on photosolvolysis in t-butyl alcohol for benzyl chloride and a number of meta and para substituted benzyl chlorides. Evidence for the existence of two triplet states, one relatively short-lived (tau 0-2 nsec) which gives solvolysis product and a second, relatively long-lived (tau 5-26 nsec), which does not give product, but instead is energy wasting, has been accumulated. The system, p-acetobenzyl chloride, has been investigated in detail. A method for quenching of singlet states for measurement of singlet lifetimes in the 100 picosecond to nanosecond range is being developed. Preliminary work on benzyl acetate photosolvolysis has been conducted. Some work on the goemetrical requirements for intra-molecular excitation transfer in bichromophoric molecules has been conducted. Several dienes related to norbornadiene have been prepared and preparative photoisomerizations to quadricyclene analogues have been carried out. Considerable attention has been given to certain di-..pi..-methane rearrangements, work on most of which is still in progress. One system, the ethyl ester of dibenzobarrelene-7-carboxylic acid, has been scrutinized in detail.

  5. Effect of chemical heterogeneity of biodegradable polymers on surface energy: A static contact angle analysis of polyester model films.

    Science.gov (United States)

    Belibel, R; Avramoglou, T; Garcia, A; Barbaud, C; Mora, L

    2016-02-01

    Biodegradable and bioassimilable poly((R,S)-3,3 dimethylmalic acid) (PDMMLA) derivatives were synthesized and characterized in order to develop a new coating for coronary endoprosthesis enabling the reduction of restenosis. The PDMMLA was chemically modified to form different custom groups in its side chain. Three side groups were chosen: the hexyl group for its hydrophobic nature, the carboxylic acid and alcohol groups for their acid and neutral hydrophilic character, respectively. The sessile drop method was applied to characterize the wettability of biodegradable polymer film coatings. Surface energy and components were calculated. The van Oss approach helped reach not only the dispersive and polar acid-base components of surface energy but also acid and basic components. Surface topography was quantified by atomic force microscopy (AFM) and subnanometer average values of roughness (Ra) were obtained for all the analyzed surfaces. Thus, roughness was considered to have a negligible effect on wettability measurements. In contrast, heterogeneous surfaces had to be corrected by the Cassie-Baxter equation for copolymers (10/90, 20/80 and 30/70). The impact of this correction was quantified for all the wettability parameters. Very high relative corrections (%) were found, reaching 100% for energies and 30% for contact angles. PMID:26652458

  6. Comparisons of classical and Wigner sampling of transition state energy levels for quasiclassical trajectory chemical dynamics simulations

    International Nuclear Information System (INIS)

    Quasiclassical trajectory calculations are compared, with classical and Wigner sampling of transition state (TS) energy levels, for C2H5F≠→HF+C2H4 product energy partitioning and [Cl···CH3···Cl]- central barrier dynamics. The calculations with Wigner sampling are reported here for comparison with the previously reported calculations with classical sampling [Y. J. Cho et al., J. Chem. Phys. 96, 8275 (1992); L. Sun and W. L. Hase, J. Chem. Phys. 121, 8831 (2004)]. The C2H5F≠ calculations were performed with direct dynamics at the MP2/6-31G* level of theory. Classical and Wigner sampling give post-transition state dynamics, for these two chemical systems, which are the same within statistical uncertainties. This is a result of important equivalences in these two sampling methods for selecting initial conditions at a TS. In contrast, classical and Wigner sampling often give different photodissociation dynamics [R. Schinke, J. Phys. Chem. 92, 3195 (1988)]. Here the sampling is performed for a vibrational state of the ground electronic state potential energy surface (PES), which is then projected onto the excited electronic state's PES. Differences between the ground and the excited PESs may give rise to substantially different excitations of the vibrational and dissociative coordinates on the excited state PES by classical and Wigner sampling, resulting in different photodissociation dynamics.

  7. Thermal stability and energy harvesting characteristics of Au nanorods: harsh environment chemical sensing

    Science.gov (United States)

    Karker, Nicholas; Dharmalingam, Gnanaprakash; Carpenter, Michael A.

    2015-05-01

    Monitoring the levels of polluting gases such as CO and NOx from high temperature (500°C and higher) combustion environments requires materials with high thermal stability and resilience that can withstand harsh oxidizing and reducing environments. Au nanorods (AuNRs) have shown potential in plasmonic gas sensing due to their catalytic activity, high oxidation stability, and absorbance sensitivity to changes in the surrounding environment. By using electron beam lithography, AuNR geometries can be patterned with tight control of the rod dimensions and spacings, allowing tunability of their optical properties. Methods such as NR encapsulation within an yttria-stabilized zirconia overcoat layer with subsequent annealing procedures will be shown to improve temperature stability within a simulated harsh environment. Since light sources and spectrometers are typically required to obtain optical measurements, integration is a major barrier for harsh environment sensing. Plasmonic sensing results will be presented where thermal energy is harvested by the AuNRs, which replaces the need for an external incident light source. Results from gas sensing experiments that utilize thermal energy harvesting are in good agreement with experiments which use an external incident light source. Principal component analysis results demonstrate that by selecting the most "active" wavelengths in a plasmonic band, the wavelength space can be reduced from hundreds of monitored wavelengths to just four, without loss of information about selectivity of the AuNRs. By combining thermal stability, the thermal energy harvesting capability, and the selectivity in gas detection (achieved through multivariate analysis), integration of plasmonic sensors into combustion environments can be greatly simplified.

  8. A chemical energy approach of avascular tumor growth: multiscale modeling and qualitative results.

    Science.gov (United States)

    Ampatzoglou, Pantelis; Dassios, George; Hadjinicolaou, Maria; Kourea, Helen P; Vrahatis, Michael N

    2015-01-01

    In the present manuscript we propose a lattice free multiscale model for avascular tumor growth that takes into account the biochemical environment, mitosis, necrosis, cellular signaling and cellular mechanics. This model extends analogous approaches by assuming a function that incorporates the biochemical energy level of the tumor cells and a mechanism that simulates the behavior of cancer stem cells. Numerical simulations of the model are used to investigate the morphology of the tumor at the avascular phase. The obtained results show similar characteristics with those observed in clinical data in the case of the Ductal Carcinoma In Situ (DCIS) of the breast. PMID:26558163

  9. Method and apparatus for energy efficient self-aeration in chemical, biochemical, and wastewater treatment processes

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Johnway [Richland, WA; Skeen, Rodney S [Pendleton, OR

    2002-05-28

    The present invention is a pulse spilling self-aerator (PSSA) that has the potential to greatly lower the installation, operation, and maintenance cost associated with aerating and mixing aqueous solutions. Currently, large quantities of low-pressure air are required in aeration systems to support many biochemical production processes and wastewater treatment plants. Oxygen is traditionally supplied and mixed by a compressor or blower and a mechanical agitator. These systems have high-energy requirements and high installation and maintenance costs. The PSSA provides a mixing and aeration capability that can increase operational efficiency and reduce overall cost.

  10. Atomic Energy of Canada Limited-Chemical Company Annual review of operations, 1980-81

    International Nuclear Information System (INIS)

    Record production of heavy water was achieved: the plants at Glace Bay and Port Hawkesbury, Nova Scotia, produced a total of 560 megagrams. A shipment of 500 Mg was delivered on time to the Wolsung CANDU reactor in Korea. Energy conservation and waste heat utilization programs included the construction of a greenhouse at the Glace Bay site. Long-term protection of the La Prade site is essentially complete. The company has reorganized its marketing and engineering division and assumed a greater international role

  11. Tales of significance.

    Science.gov (United States)

    Bell, Graham

    2016-01-01

    In this experiment, the authors were interested in testing the effect of a small molecule inhibitor on the ratio of males and females in the offspring of their model Dipteran species. The authors report that in a wild-type population, ~50 % of offspring are male. They then test the effect of treating females with the chemical, which they think might affect the male:female ratio compared with the untreated group. They claim that there is a statistically significant increase in the percentage of males produced and conclude that the drug affects sex ratios. PMID:27338560

  12. Electronic torsional sound in linear atomic chains: Chemical energy transport at 1000 km/s

    Science.gov (United States)

    Kurnosov, Arkady A.; Rubtsov, Igor V.; Maksymov, Andrii O.; Burin, Alexander L.

    2016-07-01

    We investigate entirely electronic torsional vibrational modes in linear cumulene chains. The carbon nuclei of a cumulene are positioned along the primary axis so that they can participate only in the transverse and longitudinal motions. However, the interatomic electronic clouds behave as a torsion spring with remarkable torsional stiffness. The collective dynamics of these clouds can be described in terms of electronic vibrational quanta, which we name torsitons. It is shown that the group velocity of the wavepacket of torsitons is much higher than the typical speed of sound, because of the small mass of participating electrons compared to the atomic mass. For the same reason, the maximum energy of the torsitons in cumulenes is as high as a few electronvolts, while the minimum possible energy is evaluated as a few hundred wavenumbers and this minimum is associated with asymmetry of zero point atomic vibrations. Theory predictions are consistent with the time-dependent density functional theory calculations. Molecular systems for experimental evaluation of the predictions are proposed.

  13. Compositions and chemical bonding in ceramics by quantitative electron energy-loss spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Bentley, J.; Horton, L.L. [Oak Ridge National Lab., TN (United States); McHargue, C.J. [Tennessee Univ., Knoxville, TN (United States); McKernan, S.; Carter, C.B. [Minnesota Univ., Minneapolis, MN (United States). Dept. of Chemical Engineering; Revcolevschi, A. [Univ. de Paris-Sud, Lab. de Chemie des Solides (France); Tanaka, S.; Davis, R.F. [North Carolina State Univ., Raleigh, NC (United States). Dept. of Materials Science and Engineering

    1993-12-31

    Quantitative electron energy-loss spectrometry was applied to a range of ceramic materials at a spatial resolution of <5 nm. Analysis of Fe L{sub 23} white lines indicated a low-spin state with a charge transfer of {approximately}1.5 electrons/atom onto the Fe atoms implanted into (amorphized) silicon carbide. Gradients of 2 to 5% in the Co:O stoichiometry were measured across 100-nm-thick Co{sub 3}O{sub 4} layers in an oxidized directionally solidified CoO-ZrO{sub 2} eutectic, with the highest O levels near the ZrO{sub 2}. The energy-loss near-edge structures were dramatically different for the two cobalt oxides; those for CO{sub 3}O{sub 4} have been incorrectly ascribed to CoO in the published literature. Kinetically stabilized solid solubility occurred in an AlN-SiC film grown by low-temperature molecular beam epitaxy (MBE) on {alpha}(6H)-SiC, and no detectable interdiffusion occurred in couples of MBE-grown AlN on SiC following annealing at up to 1750C. In diffusion couples of polycrystalline AlN on SiC, interfacial 8H sialon (aluminum oxy-nitride) and pockets of Si{sub 3}N{sub 4}-rich {beta}{prime} sialon in the SiC were detected.

  14. Preliminary Results of Detailed Chemical Abundance Analysis of Milky Way Satellite Galaxy Reticulum II Discovered in the Dark Energy Survey

    Science.gov (United States)

    Nagasawa, Daniel; Marshall, Jennifer L.; Li, Ting; Dark Energy Survey Milky Way Science Group

    2016-01-01

    We present preliminary results from abundance analysis of stars in Milky Way satellite galaxies found in the Dark Energy Survey (DES). DES has discovered 16 candidate satellite galaxies of the Milky Way in its first two years of operation. Since January 2015, three candidates have subsequently been revealed to be dark matter-dominated by spectroscopic follow-up studies of their kinematics, confirming their status as satellite galaxies. Spectroscopic follow-up of the remaining 13 candidates is underway. We have analyzed high resolution VLT/GIRAFFE spectra of member stars in one of these satellite galaxies, Reticulum II. Using equivalent width measurement and spectral synthesis methods, we measure the abundances of Iron and other species in order to begin to understand the chemical content of these Milky Way satellites.

  15. Spectral evolution of and radiation energy generation by coeval stellar populations with different initial composition and chemical enrichment

    CERN Document Server

    Traat, P

    2004-01-01

    The results, obtained with evolutionary synthesis code package, developed by the author, for spectral properties of stellar populations with different initial metallicities Z, are presented and discussed . Also, their contributions to the production of most common nucleosynthesis elements He, C and O were followed. These computations have been performed on the basis of two available but different homogeneous multicomposition stellar evolutionary tracks grids by Geneva and Padova groups and the Kurucz model atmospheres. Next to the discussion of overall effects and evelutionary differences, caused by chemical composition, we also present and comment the normalized per stellar mass unit standard tables of the detailed radiation energy output from stellar populations, integrated over the whole lifetime of their stars, in function of metallicity, likewise the tables on He, C and O production. They might serve as useful tools for studies of cosmological problems as well as for studies of buildup of heavy elements ...

  16. Revision and extension of Eco-LCA metrics for sustainability assessment of the energy and chemical processes.

    Science.gov (United States)

    Yang, Shiying; Yang, Siyu; Kraslawski, Andrzej; Qian, Yu

    2013-12-17

    Ecologically based life cycle assessment (Eco-LCA) is an appealing approach for the evaluation of resources utilization and environmental impacts of the process industries from an ecological scale. However, the aggregated metrics of Eco-LCA suffer from some drawbacks: the environmental impact metric has limited applicability; the resource utilization metric ignores indirect consumption; the renewability metric fails to address the quantitative distinction of resources availability; the productivity metric seems self-contradictory. In this paper, the existing Eco-LCA metrics are revised and extended for sustainability assessment of the energy and chemical processes. A new Eco-LCA metrics system is proposed, including four independent dimensions: environmental impact, resource utilization, resource availability, and economic effectiveness. An illustrative example of comparing assessment between a gas boiler and a solar boiler process provides insight into the features of the proposed approach. PMID:24228888

  17. Atomic-scale Chemical Imaging and Quantification of Metallic Alloy Structures by Energy-Dispersive X-ray Spectroscopy

    Science.gov (United States)

    Lu, Ping; Zhou, Lin; Kramer, M. J.; Smith, David J.

    2014-01-01

    Determination of atomic-scale crystal structure for nanostructured intermetallic alloys, such as magnetic alloys containing Al, Ni, Co (alnico) and Fe, is crucial for understanding physical properties such as magnetism, but technically challenging due to the small interatomic distances and the similar atomic numbers. By applying energy-dispersive X-ray spectroscopy (EDS) mapping to the study of two intermetallic phases of an alnico alloy resulting from spinodal decomposition, we have determined atomic-scale chemical composition at individual lattice sites for the two phases: one is the B2 phase with Fe0.76Co0.24 -Fe0.40Co0.60 ordering and the other is the L21 phase with Ni0.48Co0.52 at A-sites, Al at BΙ-sites and Fe0.20Ti0.80 at BΙΙ-sites, respectively. The technique developed through this study represents a powerful real-space approach to investigate structure chemically at the atomic scale for a wide range of materials systems. PMID:24492747

  18. Ge-rich islands grown on patterned Si substrates by low-energy plasma-enhanced chemical vapour deposition

    Energy Technology Data Exchange (ETDEWEB)

    Bollani, M; Fedorov, A [CNISM and L-NESS, Dipartimento di Fisica del Politecnico di Milano, Polo Regionale di Como, Via Anzani 42, I-22100 Como (Italy); Chrastina, D; Sordan, R [L-NESS, Dipartimento di Fisica del Politecnico di Milano, Polo Regionale di Como, Via Anzani 42, I-22100 Como (Italy); Picco, A; Bonera, E, E-mail: monica.bollani@mater.unimib.it [Dipartimento di Scienza dei Materiali, and L-NESS, Universita degli Studi di Milano-Bicocca, via Cozzi 53, I-20125 Milano (Italy)

    2010-11-26

    Si{sub 1-x}Ge{sub x} islands grown on Si patterned substrates have received considerable attention during the last decade for potential applications in microelectronics and optoelectronics. In this work we propose a new methodology to grow Ge-rich islands using a chemical vapour deposition technique. Electron-beam lithography is used to pre-pattern Si substrates, creating material traps. Epitaxial deposition of thin Ge films by low-energy plasma-enhanced chemical vapour deposition then leads to the formation of Ge-rich Si{sub 1-x}Ge{sub x} islands (x > 0.8) with a homogeneous size distribution, precisely positioned with respect to the substrate pattern. The island morphology was characterized by atomic force microscopy, and the Ge content and strain in the islands was studied by {mu}Raman spectroscopy. This characterization indicates a uniform distribution of islands with high Ge content and low strain: this suggests that the relatively high growth rate (0.1 nm s{sup -1}) and low temperature (650 deg. C) used is able to limit Si intermixing, while maintaining a long enough adatom diffusion length to prevent nucleation of islands outside pits. This offers the novel possibility of using these Ge-rich islands to induce strain in a Si cap.

  19. Atomic-Scale Chemical Imaging and Quantification of Metallic Alloy Structures by Energy-Dispersive X-Ray Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Ping [Sandia National Laboratories; Zhou, Lin [Ames Laboratory; Kramer, Matthew J. [Ames Laboratory; Smith, David J. [Arizona State University

    2014-02-04

    Determination of atomic-scale crystal structure for nanostructured intermetallic alloys, such as magnetic alloys containing Al, Ni, Co (alnico) and Fe, is crucial for understanding physical properties such as magnetism, but technically challenging due to the small interatomic distances and the similar atomic numbers. By applying energy-dispersive X-ray spectroscopy (EDS) mapping to the study of two intermetallic phases of an alnico alloy resulting from spinodal decomposition, we have determined atomic-scale chemical composition at individual lattice sites for the two phases: one is the B2 phase with Fe0.76Co0.24 -Fe0.40Co0.60 ordering and the other is the L21 phase with Ni0.48Co0.52 at A-sites, Al at BΙ-sites and Fe0.20Ti0.80 at BΙΙ-sites, respectively. The technique developed through this study represents a powerful real-space approach to investigate structure chemically at the atomic scale for a wide range of materials systems.

  20. Atomic-scale chemical imaging and quantification of metallic alloy structures by energy-dispersive X-ray spectroscopy.

    Science.gov (United States)

    Lu, Ping; Zhou, Lin; Kramer, M J; Smith, David J

    2014-01-01

    Determination of atomic-scale crystal structure for nanostructured intermetallic alloys, such as magnetic alloys containing Al, Ni, Co (alnico) and Fe, is crucial for understanding physical properties such as magnetism, but technically challenging due to the small interatomic distances and the similar atomic numbers. By applying energy-dispersive X-ray spectroscopy (EDS) mapping to the study of two intermetallic phases of an alnico alloy resulting from spinodal decomposition, we have determined atomic-scale chemical composition at individual lattice sites for the two phases: one is the B2 phase with Fe0.76Co0.24 -Fe0.40Co0.60 ordering and the other is the L2(1) phase with Ni0.48Co0.52 at A-sites, Al at B(Ι)-sites and Fe0.20Ti0.80 at B(ΙΙ)-sites, respectively. The technique developed through this study represents a powerful real-space approach to investigate structure chemically at the atomic scale for a wide range of materials systems. PMID:24492747

  1. Evaluation of the potential for using old-field vegetation as an energy feedstock: Biomass yield, chemical composition, environmental concerns, and economics

    Energy Technology Data Exchange (ETDEWEB)

    Johnston, J.W. Jr.

    1990-07-01

    The major focus of current research on production of biomass for use as energy feedstock involves selection of species and genotypes best suited for specific regions of the United States and development of crop management techniques that maximize biomass productivity while minimizing environmental impacts and economic costs. The two experimental sites, and abandoned soybean field (AS) and an abandoned pasture (AP) were studied. At the AS site, the effects of two harvest frequencies (1 or 2 harvests annually), two nitrogen fertilizer treatments (1 or 2 harvests annually), two nitrogen fertilizer treatments (0 or 87 kg{center dot}ha{sup {minus}1}{center dot}yr{sup {minus}1}), and two phosphorous fertilizer treatments (0 or 111 kg{center dot}ha{sup {minus}1}{center dot}yr{sup {minus}1}) were determined. At the AP site, the effects of two harvest treatments (1 or 2 harvests annually), two fertilizer treatments (56:56:135 kg of N:P:K{center dot}ha{sup {minus}1}{center dot}yr{sup {minus}1}), and two lime treatments (0 or 4600 kg{center dot}ha{sup {minus}1}{center dot}yr{sup {minus}1}) were determined. At both sites, treatments were arranged in a randomized complete block 2 {times} 2 {times} 2 factorial experiment. The results of this research indicated that old-field vegetation is: (1) sufficiently productive to provide significant quantities of energy feedstock; (2) chemically suitable as an energy feedstock; (3) environmentally benign with respect to impacts related to soil erosion and nutrient depletion; (4) relatively unresponsive to fertilizer and lime inputs; and (5) economically competitive with other biomass energy feedstock candidates. 38 refs., 8 figs., 68 tabs.

  2. Controlled growth of superhydrophobic films without any low-surface-energy modification by chemical displacement on zinc substrates

    Energy Technology Data Exchange (ETDEWEB)

    Xu Wenguo, E-mail: xuwg60@bit.edu.cn [Key Laboratory of Cluster Science of Ministry of Education, School of Science, Beijing Institute of Technology, 5 South Street of Zhongguancun, Beijing 100081 (China); Shi Xiaofeng [Key Laboratory of Cluster Science of Ministry of Education, School of Science, Beijing Institute of Technology, 5 South Street of Zhongguancun, Beijing 100081 (China); Lu Shixiang, E-mail: shixianglu@bit.edu.cn [Key Laboratory of Cluster Science of Ministry of Education, School of Science, Beijing Institute of Technology, 5 South Street of Zhongguancun, Beijing 100081 (China)

    2011-10-03

    Graphical abstract: The nano-grains on the micro-pillars are formed at the most thermodynamically active sites for saturation, precipitation of the zinc atoms and the surface effect of the micro structure in the process of heat treatment. The micro sized pillars and the nano sized grain composed a micro-nano binary structure, which is analogous to that of the lotus leaf. Highlights: {yields} Cu-Zn alloy formed via chemical displacement at a perpendicular way. {yields} Crystal CuZn{sub 5} and ZnO formed via anneal treatment in humidity. {yields} Micro-pillars and nano-grain composed a micro-nano binary structure. {yields} Micro-nano surfaces prepared exhibited good superhydrophobicity. - Abstract: Superhydrophobic surface was prepared via immersing the clean perpendicular zinc substrate into aqueous copper (II) chloride (CuCl{sub 2}) solution and followed by anneal under the humid condition. The prepared samples were characterized by powder X-ray diffraction analysis, X-ray photoelectron spectroscopy, energy-dispersive X-ray spectroscopy (XPS), and scanning electron microscopy (SEM), and energy-dispersive X-ray spectrometry analysis (EDX). SEM images of the films showed that the resulted surfaces exhibit micro-nano binary structures. The resulting surfaces had a high water contact angle (CA) of larger than 150{sup o} as well as a small sliding angle (SA) of less than 6{sup o}. Cu-Zn alloy formed by chemical displacement. Crystal CuZn{sub 5} formed via crystal transition via anneal treatment. Crystal ZnO formed in air or under the humid condition. The CuZn{sub 5}-ZnO micro-nano binary structures leads to the surface superhydrophobicity.

  3. The interplay between interface structure, energy level alignment and chemical bonding strength at organic-metal interfaces.

    Science.gov (United States)

    Willenbockel, M; Lüftner, D; Stadtmüller, B; Koller, G; Kumpf, C; Soubatch, S; Puschnig, P; Ramsey, M G; Tautz, F S

    2015-01-21

    What do energy level alignments at metal-organic interfaces reveal about the metal-molecule bonding strength? Is it permissible to take vertical adsorption heights as indicators of bonding strengths? In this paper we analyse 3,4,9,10-perylene-tetracarboxylic acid dianhydride (PTCDA) on the three canonical low index Ag surfaces to provide exemplary answers to these questions. Specifically, we employ angular resolved photoemission spectroscopy for a systematic study of the energy level alignments of the two uppermost frontier states in ordered monolayer phases of PTCDA. Data are analysed using the orbital tomography approach. This allows the unambiguous identification of the orbital character of these states, and also the discrimination between inequivalent species. Combining this experimental information with DFT calculations and the generic Newns-Anderson chemisorption model, we analyse the alignments of highest occupied and lowest unoccupied molecular orbitals (HOMO and LUMO) with respect to the vacuum levels of bare and molecule-covered surfaces. This reveals clear differences between the two frontier states. In particular, on all surfaces the LUMO is subject to considerable bond stabilization through the interaction between the molecular π-electron system and the metal, as a consequence of which it also becomes occupied. Moreover, we observe a larger bond stabilization for the more open surfaces. Most importantly, our analysis shows that both the orbital binding energies of the LUMO and the overall adsorption heights of the molecule are linked to the strength of the chemical interaction between the molecular π-electron system and the metal, in the sense that stronger bonding leads to shorter adsorption heights and larger orbital binding energies. PMID:25475998

  4. Quantitative proteomics reveals significant changes in cell shape and an energy shift after IPTG induction via an optimized SILAC approach for Escherichia coli.

    Science.gov (United States)

    Ping, Lingyan; Zhang, Heng; Zhai, Linhui; Dammer, Eric B; Duong, Duc M; Li, Ning; Yan, Zili; Wu, Junzhu; Xu, Ping

    2013-12-01

    Stable isotope labeling by amino acids in cell culture (SILAC) has been widely used in yeast, mammalian cells, and even some multicellular organisms. However, the lack of optimized SILAC media limits its application in Escherichia coli, the most commonly used model organism. We optimized SILACE medium (SILAC medium created in this study for E. coli) for nonauxotrophic E. coli with high growth speed and complete labeling efficiency of the whole proteome in 12 generations. We applied a swapped SILAC workflow and pure null experiment with the SILACE medium using E. coli BL21 (DE3) cells hosting a recombinant plasmid coding for glutathione-S-transferase (GST) and ubiquitin binding domain before and after isopropyl thiogalactoside (IPTG) induction. Finally, we identified 1251 proteins with a significant change in abundance. Pathway analysis suggested that cell growth and fissiparism were inhibited accompanied by the down-regulation of proteins related to energy and metabolism, cell division, and the cell cycle, resulting in the size and shape change of the induced cells. Taken together, the results confirm the development of SILACE medium suitable for efficient and complete labeling of E. coli cells and a data filtering strategy for SILAC-based quantitative proteomics studies of E. coli.

  5. Evaluation of the viability and energy metabolism of canine pancreas graft subjected to significant warm ischemia damage during preservation by UW solution cold storage method

    Institute of Scientific and Technical Information of China (English)

    Chun-Hui Yuan; Gui-Chen Li; He Zhang; Ying Cheng; Ning Zhao; Yong-Feng Liu

    2004-01-01

    AIM: To evaluate the viability and energy metabolism of long warm ischemically damaged pancreas during preservation by the UW solution cold storage method.METHODS: The pancreas grafts subjected to 30-120 min warm ischemia were preserved by the UW solution cold storage method for 24 h. The tissue concentrations of adenine nucleotides (AN) and adenosine triphosphate (ATP)and total adenine nucleotides (TAN) were determined by using high performance liquid chromatography (HPLC) and the viability of the pancreas graft was tested in the canine model of segmental pancreas autotransplantation.RESULTS: The functional success rates of pancreas grafts of groups after 30 min, 60 min, 90 min, 120 min of warm ischemia were 100%, 100%, 67.7%, 0%, respectively.There was an excellent correlation between the posttransplant viability and tissue concentration of ATP and TAN at the end of preservation.CONCLUSION: The UW solution cold storage method was effective for functional recovery of the pancreas suffering 60-min warm ischemia. The tissue concentration of ATP and TAN at the end of 24 h preservation by the UW solution cold storage method would predict the posttransplant outcome of pancreas graft subjected to significant warm ischemia.

  6. Non-Friedmann cosmology for the Local Universe, significance of the universal Hubble constant and short-distance indicators of dark energy

    CERN Document Server

    Chernin, A D; Baryshev, Y V; Chernin, Arthur D.; Teerikorpi, Pekka; Baryshev, Yurij V.

    2006-01-01

    Basing on the increasing evidence for the cosmological relevance of the local Hubble flow, we consider a simple analytical cosmological model for the Local Universe. This is a non-Friedmann model with a non-uniform static space-time. The major dynamical factor controlling the local expansion is the antigravity produced by the omnipresent and permanent dark energy of the cosmic vacuum (or the cosmological constant). The antigravity dominates at distances larger than 1-2 Mpc from the center of the Local Group. The model gives a natural explanation of the two key quantitative characteristics of the local expansion flow, which are the local Hubble constant and the velocity dispersion of the flow. The observed kinematical similarity of the local and global flows of expansion is clarified by the model. We demonstrate analytically the efficiency of the vacuum cooling mechanism that allows one to see the Hubble flow so close to the Local Group. Special significance is argued for the 'universal Hubble constant' H_V, d...

  7. Technology for Increasing Geothermal Energy Productivity. Computer Models to Characterize the Chemical Interactions of Geothermal Fluids and Injectates with Reservoir Rocks, Wells, Surface Equipment

    International Nuclear Information System (INIS)

    This final report describes the results of a research program we carried out over a five-year (3/1999-9/2004) period with funding from a Department of Energy geothermal FDP grant (DE-FG07-99ID13745) and from other agencies. The goal of research projects in this program were to develop modeling technologies that can increase the understanding of geothermal reservoir chemistry and chemistry-related energy production processes. The ability of computer models to handle many chemical variables and complex interactions makes them an essential tool for building a fundamental understanding of a wide variety of complex geothermal resource and production chemistry. With careful choice of methodology and parameterization, research objectives were to show that chemical models can correctly simulate behavior for the ranges of fluid compositions, formation minerals, temperature and pressure associated with present and near future geothermal systems as well as for the very high PT chemistry of deep resources that is intractable with traditional experimental methods. Our research results successfully met these objectives. We demonstrated that advances in physical chemistry theory can be used to accurately describe the thermodynamics of solid-liquid-gas systems via their free energies for wide ranges of composition (X), temperature and pressure. Eight articles on this work were published in peer-reviewed journals and in conference proceedings. Four are in preparation. Our work has been presented at many workshops and conferences. We also considerably improved our interactive web site (geotherm.ucsd.edu), which was in preliminary form prior to the grant. This site, which includes several model codes treating different XPT conditions, is an effective means to transfer our technologies and is used by the geothermal community and other researchers worldwide. Our models have wide application to many energy related and other important problems (e.g., scaling prediction in petroleum

  8. Technology for Increasing Geothermal Energy Productivity. Computer Models to Characterize the Chemical Interactions of Goethermal Fluids and Injectates with Reservoir Rocks, Wells, Surface Equiptment

    Energy Technology Data Exchange (ETDEWEB)

    Nancy Moller Weare

    2006-07-25

    This final report describes the results of a research program we carried out over a five-year (3/1999-9/2004) period with funding from a Department of Energy geothermal FDP grant (DE-FG07-99ID13745) and from other agencies. The goal of research projects in this program were to develop modeling technologies that can increase the understanding of geothermal reservoir chemistry and chemistry-related energy production processes. The ability of computer models to handle many chemical variables and complex interactions makes them an essential tool for building a fundamental understanding of a wide variety of complex geothermal resource and production chemistry. With careful choice of methodology and parameterization, research objectives were to show that chemical models can correctly simulate behavior for the ranges of fluid compositions, formation minerals, temperature and pressure associated with present and near future geothermal systems as well as for the very high PT chemistry of deep resources that is intractable with traditional experimental methods. Our research results successfully met these objectives. We demonstrated that advances in physical chemistry theory can be used to accurately describe the thermodynamics of solid-liquid-gas systems via their free energies for wide ranges of composition (X), temperature and pressure. Eight articles on this work were published in peer-reviewed journals and in conference proceedings. Four are in preparation. Our work has been presented at many workshops and conferences. We also considerably improved our interactive web site (geotherm.ucsd.edu), which was in preliminary form prior to the grant. This site, which includes several model codes treating different XPT conditions, is an effective means to transfer our technologies and is used by the geothermal community and other researchers worldwide. Our models have wide application to many energy related and other important problems (e.g., scaling prediction in petroleum

  9. Computational Investigations of Potential Energy Function Development for Metal--Organic Framework Simulations, Metal Carbenes, and Chemical Warfare Agents

    Science.gov (United States)

    Cioce, Christian R.

    Metal-Organic Frameworks (MOFs) are three-dimensional porous nanomaterials with a variety of applications, including catalysis, gas storage and separation, and sustainable energy. Their potential as air filtration systems is of interest for designer carbon capture materials. The chemical constituents (i.e. organic ligands) can be functionalized to create rationally designed CO2 sequestration platforms, for example. Hardware and software alike at the bleeding edge of supercomputing are utilized for designing first principles-based molecular models for the simulation of gas sorption in these frameworks. The classical potentials developed herein are named PHAST --- Potentials with High Accuracy, Speed, and Transferability, and thus are designed via a "bottom-up" approach. Specifically, models for N2 and CH4 are constructed and presented. Extensive verification and validation leads to insights and range of applicability. Through this experience, the PHAST models are improved upon further to be more applicable in heterogeneous environments. Given this, the models are applied to reproducing high level ab initio energies for gas sorption trajectories of helium atoms in a variety of rare-gas clusters, the geometries of which being representative of sorption-like environments commonly encountered in a porous nanomaterial. This work seeks to push forward the state of classical and first principles materials modeling. Additionally, the characterization of a new type of tunable radical metal---carbene is presented. Here, a cobalt(II)---porphyrin complex, [Co(Por)], was investigated to understand its role as an effective catalyst in stereoselective cyclopropanation of a diazoacetate reagent. Density functional theory along with natural bond order analysis and charge decomposition analysis gave insight into the electronics of the catalytic intermediate. The bonding pattern unveiled a new class of radical metal---carbene complex, with a doublet cobalt into which a triplet carbene

  10. The influence of chemical and color quenching on the shape of energy spectrum for Beta particles of 90Sr- 90Y by using liquid scintillation cocktail

    International Nuclear Information System (INIS)

    The effect of chemical quenching on the pulse height spectrum and Emax of Strontium 90Sr were studied using the organic scintillation cocktail and observing change in florescent yield and spectral shape (energy spectrum) of beta particles of 90Sr isotope in determining a relationship between the magnitude of material that causes quenching and the position of energy spectrum and Emax, adding 3 M nitric acid (HNO3) as chemical quencher to the scintillation, and added aqueous soluble yellow food dye with different concentration as color quencher. The beta detection efficiency depends on energy, spectral shape and cocktail. Typically, beta particles with maximum energies (Emax > 0.250 MeV) are detected with > 90% counting efficiency in organic liquid scintillation, where 90Sr has maximum beta energy, Emax, of 0.546 MeV and half-life of 28.17 years. The results were compared with reference and literature values. (author)

  11. Low-energy and chemical-free activation of pyrolytic tire char and its adsorption characteristics.

    Science.gov (United States)

    Quek, Augustine; Balasubramanian, Rajasekhar

    2009-06-01

    It is generally known that the solid char obtained from pyrolysis of scrap rubber tires can be used as an adsorbent for several applications such as wastewater treatment. In this study, scrap tires were first pyrolyzed under nitrogen (N2) or carbon dioxide (CO2) gas under various temperatures to produce char. The char was activated in situ by post-pyrolysis oxygenation (PPO) at different temperature ranges as soon as the pyrolysis process was completed. Elemental and spectroscopic analyses showed significant zinc content in the char after PPO. Batch-mode removal of aqueous copper (Cu) using the chars revealed that, for N2 and CO2, the optimum condition for pyrolysis was at 550 degrees C and for activation was from 550 to 250 degrees C. Although CO2-pyrolyzed char had lower Cu and lead (Pb) removal than N2-pyrolyzed char, it had higher char yields. For both N2- and CO2-pyrolyzed char, activation with PPO improved their heavy metal removal efficiencies significantly compared with unactivated char. PPO chars had much faster removal rates and higher Cu removal compared with both pyrolyzed, unactivated char and commercial activated carbons. PMID:19603742

  12. Getting nanometric MoO3 through chemical synthesis and high energy milling

    International Nuclear Information System (INIS)

    The effects of high energy mechanical milling (HEMM) were studied on the microstructure and optical properties of MoO3 for hexagonal and orthorhombic phases. Employing HEMM was possible change particle size as a function of mechanical milling time, as well as the small quantity transformation percentage from hexagonal to orthorhombic phase. The relationship between microstrain and optical properties generated was studied. The electronic structures were calculated using the Density Functional Theory (DFT); to determinate partial density of state (PDOS). Band gap structure calculations show a good correlation between experimental and simulated data. The approximated values of microstrain, particle size, lattice parameters and oxygen vacancies were obtained employing the Rietveld refinement of X-ray diffraction patterns. Samples were characterized by electron microscopy techniques, surface area analysis (BET), thermal-gravimetric analysis (TGA), differential scanning calorimetry (DSC) and ultraviolet–visible spectroscopy (UV–Vis). It was possible, obtain particles with size below 40 nm by 30 min milling. - Graphical abstract: Orthorhombic phase, SEM image, SAED before milling, milling NPs, Particle size and band gap variation by milling time. - Highlights: • MoO3 with hexagonal and orthorhombic structures was synthesized selectively. • By milling short time (30 m), it was possible get 40 nm diameter particles. • The band gap decrease for nanoparticles, then corroborated by simulation. • MoO3 nanoparticles get high surface area for new technologic applications

  13. Getting nanometric MoO{sub 3} through chemical synthesis and high energy milling

    Energy Technology Data Exchange (ETDEWEB)

    Santos-Beltrán, M. [Centro de Investigación en Materiales Avanzados (CIMAV), Laboratorio Nacional de Nanotecnología, Miguel de Cervantes No. 120, C.P. 31136 Chihuahua, Chih. (Mexico); Paraguay-Delgado, F., E-mail: francisco.paraguay@cimav.edu.mx [Centro de Investigación en Materiales Avanzados (CIMAV), Laboratorio Nacional de Nanotecnología, Miguel de Cervantes No. 120, C.P. 31136 Chihuahua, Chih. (Mexico); Santos-Beltrán, A. [Universidad Tecnológica de Chihuahua Sur, Km. 3 Carretera Chihuahua a Aldama s/n, C.P. 31050 Chihuahua, Chih. (Mexico); Fuentes, L. [Centro de Investigación en Materiales Avanzados (CIMAV), Laboratorio Nacional de Nanotecnología, Miguel de Cervantes No. 120, C.P. 31136 Chihuahua, Chih. (Mexico)

    2015-11-05

    The effects of high energy mechanical milling (HEMM) were studied on the microstructure and optical properties of MoO{sub 3} for hexagonal and orthorhombic phases. Employing HEMM was possible change particle size as a function of mechanical milling time, as well as the small quantity transformation percentage from hexagonal to orthorhombic phase. The relationship between microstrain and optical properties generated was studied. The electronic structures were calculated using the Density Functional Theory (DFT); to determinate partial density of state (PDOS). Band gap structure calculations show a good correlation between experimental and simulated data. The approximated values of microstrain, particle size, lattice parameters and oxygen vacancies were obtained employing the Rietveld refinement of X-ray diffraction patterns. Samples were characterized by electron microscopy techniques, surface area analysis (BET), thermal-gravimetric analysis (TGA), differential scanning calorimetry (DSC) and ultraviolet–visible spectroscopy (UV–Vis). It was possible, obtain particles with size below 40 nm by 30 min milling. - Graphical abstract: Orthorhombic phase, SEM image, SAED before milling, milling NPs, Particle size and band gap variation by milling time. - Highlights: • MoO{sub 3} with hexagonal and orthorhombic structures was synthesized selectively. • By milling short time (30 m), it was possible get 40 nm diameter particles. • The band gap decrease for nanoparticles, then corroborated by simulation. • MoO{sub 3} nanoparticles get high surface area for new technologic applications.

  14. NMR chemical shift as analytical derivative of the Helmholtz free energy

    CERN Document Server

    Heuvel, Willem Van den

    2012-01-01

    We present a theory for the temperature-dependent nuclear magnetic shielding tensor of molecules with arbitrary electronic structure. The theory is a generalization of Ramsey's theory for closed-shell molecules. The shielding tensor is defined as a second derivative of the Helmholtz free energy of the electron system in equilibrium with the applied magnetic field and the nuclear magnetic moments. This derivative is analytically evaluated and expressed as a sum over states formula. Special consideration is given to a system with an isolated degenerate ground state for which the size of the degeneracy and the composition of the wave functions are arbitrary. In this case the paramagnetic part of the shielding tensor is expressed in terms of the $g$ and $A$ tensors of the EPR spin Hamiltonian of the degenerate state. As an illustration of the proposed theory, we provide an explicit formula for the paramagnetic shift of the central lanthanide ion in endofullerenes Ln@C$_{60}$, with Ln=Ce$^{3+}$, Nd$^{3+}$, Sm$^{3+...

  15. Significant concentration changes of chemical components of PM1 in the Yangtze River Delta area of China and the implications for the formation mechanism of heavy haze-fog pollution.

    Science.gov (United States)

    Zhang, Y W; Zhang, X Y; Zhang, Y M; Shen, X J; Sun, J Y; Ma, Q L; Yu, X M; Zhu, J L; Zhang, L; Che, H C

    2015-12-15

    Since the winter season of 2013, a number of persistent haze-fog events have occurred in central-eastern China. Continuous measurements of the chemical and physical properties of PM1 at a regional background station in the Yangtze River Delta area of China from 16 Nov. to 18 Dec., 2013 revealed several haze-fog events, among which a heavy haze-fog event occurred between 6 Dec. and 8 Dec. The mean concentration of PM1 was 212μgm(-3) in the heavy haze-fog period, which was about 10 times higher than on clean days and featured a peak mass concentration that reached 298μgm(-3). Organics were the largest contributor to the dramatic rise of PM1 on heavy haze-fog days (average mass concentration of 86μgm(-3)), followed by nitrate (58μgm(-3)), sulfate (35μgm(-3)), ammonium (29μgm(-3)), and chloride (4.0μgm(-3)). Nitrate exhibited the largest increase (~20 factors), associated with a significant increase in NOx. This was mainly attributable to increased coal combustion emissions, relative to motor vehicle emissions, and was caused by short-distance pollutant transport within surrounding areas. Low-volatility oxidized organic aerosols (OA) (LV-OOA) and biomass-burning OA (BBOA) also increased sharply on heavy haze-fog days, exhibiting an enhanced oxidation capacity of the atmosphere and increased emissions from biomass burning. The strengthening of the oxidation capacity during the heavy pollution episode, along with lower solar radiation, was probably due to increased biomass burning, which were important precursors of O3. The prevailing meteorological conditions, including low wind and high relative humidity, and short distance transported gaseous and particulate matter surrounding of the sampling site, coincided with the increased pollutant concentrations mainly from biomass-burning mentioned above to cause the persistent haze-fog event in the YRD area. PMID:26298245

  16. Significant concentration changes of chemical components of PM1 in the Yangtze River Delta area of China and the implications for the formation mechanism of heavy haze-fog pollution.

    Science.gov (United States)

    Zhang, Y W; Zhang, X Y; Zhang, Y M; Shen, X J; Sun, J Y; Ma, Q L; Yu, X M; Zhu, J L; Zhang, L; Che, H C

    2015-12-15

    Since the winter season of 2013, a number of persistent haze-fog events have occurred in central-eastern China. Continuous measurements of the chemical and physical properties of PM1 at a regional background station in the Yangtze River Delta area of China from 16 Nov. to 18 Dec., 2013 revealed several haze-fog events, among which a heavy haze-fog event occurred between 6 Dec. and 8 Dec. The mean concentration of PM1 was 212μgm(-3) in the heavy haze-fog period, which was about 10 times higher than on clean days and featured a peak mass concentration that reached 298μgm(-3). Organics were the largest contributor to the dramatic rise of PM1 on heavy haze-fog days (average mass concentration of 86μgm(-3)), followed by nitrate (58μgm(-3)), sulfate (35μgm(-3)), ammonium (29μgm(-3)), and chloride (4.0μgm(-3)). Nitrate exhibited the largest increase (~20 factors), associated with a significant increase in NOx. This was mainly attributable to increased coal combustion emissions, relative to motor vehicle emissions, and was caused by short-distance pollutant transport within surrounding areas. Low-volatility oxidized organic aerosols (OA) (LV-OOA) and biomass-burning OA (BBOA) also increased sharply on heavy haze-fog days, exhibiting an enhanced oxidation capacity of the atmosphere and increased emissions from biomass burning. The strengthening of the oxidation capacity during the heavy pollution episode, along with lower solar radiation, was probably due to increased biomass burning, which were important precursors of O3. The prevailing meteorological conditions, including low wind and high relative humidity, and short distance transported gaseous and particulate matter surrounding of the sampling site, coincided with the increased pollutant concentrations mainly from biomass-burning mentioned above to cause the persistent haze-fog event in the YRD area.

  17. Determination of the chemical composition, amino acid levels and energy values of different poultry offal meals for broilers

    Directory of Open Access Journals (Sweden)

    EP da Silva

    2012-06-01

    Full Text Available The aim of this study was to determine the chemical composition, amino acid content and energy values, as well as to quantify the passage rate in the digestive tract of three different poultry offal meals (POM, in two experiments carried out with broilers. In the first experiment, metabolizable energy values were determined (AMEn and TMEn using the method of total excreta collection. In this experiment, 150 15-d-old male and female broilers were distributed according to a completely randomized experimental design with 5 treatments of 5 replicates of 6 birds each. The following treatments were applied: a reference diet, three test diets consisting of 250 g/kg of the tested ingredient (POM + 750 g/kg of the reference diet, and one group of birds fasted for excreta collection to determine endogenous and metabolic losses. In the second experiment, POM passage rate results were obtained using 90 26-d-old broilers distributed according a completely randomized design with three treatments of 5 replicates of 6 birds each. POM passage rate was correlated (r = -99.86% with its EE content. The evaluated POMs presented the following ME values: 16,727; 15,781 and 17,443 MJ AMEn /kg and 17,877; 15,882 and 17,527 MJ TMEn /kg for samples A, B and C, respectively.

  18. Exciton energy transfer-based quantum dot fluorescence sensing array: "chemical noses" for discrimination of different nucleobases.

    Science.gov (United States)

    Liu, Jianbo; Li, Gui; Yang, Xiaohai; Wang, Kemin; Li, Li; Liu, Wei; Shi, Xing; Guo, Yali

    2015-01-20

    A novel exciton energy transfer-based fluorescence sensing array for the discrimination of different nucleobases was developed through target nucleobase-triggered self-assembly of quantum dots (QDs). Four QD nanoprobes with different ligand receptors, including mercaptoethylamine, N-acetyl-l-cysteine, 2-dimethyl-aminethanethiol, and thioglycolic acid, were created to detect and identify nucleobase targets. These QDs served as both selective recognition scaffolds and signal transduction elements for a biomolecule target. The extent of particle assembly, induced by the analyte-triggered self-assembly of QDs, led to an exciton energy transfer effect between interparticles that gave a readily detectable fluorescence quenching and distinct fluorescence response patterns. These patterns are characteristic for each nucleobase and can be quantitatively differentiated by linear discriminate analysis. Furthermore, a fingerprint-based barcode was established to conveniently discriminate the nucleobases. This pattern sensing was successfully used to identify nucleobase samples at unknown concentrations and five rare bases. In this "chemical noses" strategy, the robust characteristics of QD nanoprobes, coupled with the diversity of surface functionality that can be readily obtained using nanoparticles, provides a simple and label-free biosensing approach that shows great promise for biomedical applications. PMID:25495103

  19. Ground-roll subtraction from common-shot gathers with significant trace-to-trace variations in the energy of random noise

    Science.gov (United States)

    Tiapkina, Olena; Landrø, Martin; Tyapkin, Yuriy

    2013-12-01

    Conventional f-k filtering and filtering based on singular value decomposition (SVD) or on some related transformations have proved to be effective tools to eliminate ground roll from seismic records. These methods, however, operate successfully when the energy of additive random noise is quite stable or relatively low on different traces. Otherwise, when some traces are contaminated by anomalous noise, the methods become ineffective or even deleterious and require pre-editing of the noisy traces. This process, however, is somewhat subjective and results in gaps, which are harmful to further seismic imaging, processing and interpretation techniques. To avoid these drawbacks, we propose the two-stage weighted stacking recently developed for optimally estimating the signal from seismic data contaminated by both spatially coherent and random noise. The first stage is targeted for the ground-roll subtraction and is performed with respect to the amplitudes and arrival times of ground roll and the variances of random noise. In the second stage, intended for ultimate signal reconstruction, the residual data undergo optimum stacking with respect to the amplitudes and arrival times of the signal and the variances of random noise. We compare f-k filtering, SVD-based filtering and optimum stacking on two common-shot gathers contaminated by different types of severe ground rolls, with one being almost non-dispersive and the other mildly dispersive. With these data, the three methods give comparable results. To mimic significant trace-to-trace variations in the noise energy, we add synthetic noise to some traces on both shot gathers. In this case, SVD-based filtering and f-k filtering fail, whereas one-stage optimum stacking efficiently subtracts the ground roll but leaves the random noise on the anomalous traces almost untouched. In turn, two-stage optimum stacking greatly diminishes the random noise, considerably refines the data and therefore outperforms SVD-based filtering

  20. Studies on chemical composition and energy transformation in river Ganga at Kanpur and Varanasi due to environmental degradation.

    Science.gov (United States)

    Kumar, Amit; Jaiswal, Dolly; Watal, Geeta

    2009-05-01

    Impact of effluents discharged in Ganga through various sources on chemical composition, energy transformation rate and level of heavy metals was studied at Kanpur and Varanasi. The effluents were found to be nil in oxygen with acidic in oxygen with acidic to neutral pH (6.8-7.0) and having very high values of free CO2 (40-68 mg l(-1)), alkalinity (300.0-412.0 mg l(-1)), conductance (1082.0-1824.0 micromhos), total dissolved solids (542.0-912.0 mg l(-1)), hardness (228.0-330.0 mg l(-1)), chloride (42.0-60.0 mg l(-1)), organic matter (8.4-18.2 mg l(-1)) and BOD load (98.0-248.0 mg l(-1)). The heavy metals Cu, Cr, Cd, Pb and Zn were also quite high in the effluents (48.6-78.4, 54.0-84.6, 9.8-12.4, 72.4-84.0 and 148.6-284.0 microg l(-1) respectively). The discharged effluents induced severe reduction in oxygen (av. 0.82-3.4 mg l(-1)) and sharp increase in the level of free CO2 (av. 10.8-24.8 mg l(-1)), alkalinity (182.4-288.4 mg l(-1)), conductance (480.0- 628.0 mmhos), total dissolved solids (254.0-315.0 mg l(-1)), hardness (170.0-259.0 mg l(-1)), chloride (36.0-52.0 mg l(-1)), organic matter (4.8-6.8 mg l(-1)) and BOD load (36.4-58.4 mg l(-1)) at the discharge point (OF zones) from their comparatively much lower values before discharge (AOF zone). The rate of energy transformation and photosynthetic efficiency also reduced considerably at the discharge point (av. 1060-2101 calm(-2)day(-1) and 0.09-0.18%) from high values before discharged point (av. 4045-4733 calm(-2)day(-1) and 0.34-0.42%). The level of Cu, Cr, Cd, Pb and Zn also showed higher values at the discharged point (20.4-38.0, 22.4-54.8, 5.2-7.8, 30.8-72.0 and 64.8-120.8 microg l(-1) respectively). Considerable improvement was observed below the discharge (BOF zone). Comparison with earlier observation revealed that the magnitude of impact has reduced considerably after the regulation in the discharge both in he respect of chemical composition and energy transformation rates.