WorldWideScience

Sample records for significant chemical energy

  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. 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.

  3. Low temperature radio-chemical energy conversion processes

    International Nuclear Information System (INIS)

    Gomberg, H.J.

    1986-01-01

    This patent describes a radio-chemical method of converting radiated energy into chemical energy form comprising the steps of: (a) establishing a starting chemical compound in the liquid phase that chemically reacts endothermically to radiation and heat energy to produce a gaseous and a solid constituent of the compound, (b) irradiating the compound in its liquid phase free of solvents to chemically release therefrom in response to the radiation the gaseous and solid constituents, (c) physically separating the solid and gaseous phase constituents from the liquid, and (d) chemically processing the constituents to recover therefrom energy stored therein by the irradiation step (b)

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

    International Nuclear Information System (INIS)

    Roh, Heui-Seol

    2015-01-01

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

  5. Sustainable chemical processing and energy-carbon dioxide management: review of challenges and opportunities

    DEFF Research Database (Denmark)

    Frauzem, Rebecca; Vooradi, Ramsagar; Bertran, Maria-Ona

    2018-01-01

    This paper presents a brief review of the available energy sources for consumption, their effects in terms of CO2-emission and its management, and sustainable chemical processing where energy-consumption, CO2-emission, as well as economics and environmental impacts are considered. Not all available...... energy sources are being utilized efficiently, while, the energy source causing the largest emission of CO2 is being used in the largest amount. The CO2 management is therefore looking at "curing" the problem rather than "preventing" it. Examples highlighting the synthesis, design and analysis...... of sustainable chemical processing in the utilization of biomass-based energy-chemicals production, carbon-capture and utilization with zero or negative CO2-emission to produce value added chemicals as well as retrofit design of energy intensive chemical processes with significant reduction of energy consumption...

  6. 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.

  7. Production of chemical energy carriers by non-expendable energy sources

    Energy Technology Data Exchange (ETDEWEB)

    Nitsch, J

    1976-01-01

    The different forms of energy (radiation, high-temperature heat and electricity) arising from non-expendable energy sources like solar energy can be used for the production of chemical energy-carriers. Possible methods are the splitting of water by means of photolysis, thermochemical cycles and electrolysis, as well as the storage of energy in closed loop chemical systems. These methods are described and efficiencies and costs of the production of these energy carriers are specified. Special problems of the long-distance transportation of hydrogen produced by solar energy are described and the resulting costs are estimated.

  8. Chemical energy in electro arc furnace - examples from experience

    International Nuclear Information System (INIS)

    Shushlevski, Ljupcho; Georgievski, Panche; Hadzhidaovski, Ilija

    2004-01-01

    Great competition on the market in steel-producing and chemical lack of electrical energy leads to realization of new project in section Steelworks AD 'Makstil' - Skopje named: 'Substitution of electrical energy i.e. entering of additional chemical energy in Electrical arc furnace for steel melting using fuels-naturual gas (CH 4 ), oxygen (O 2 ) and carbon (C)'. It is accumulate experience from two and one half year of intensive use of chemical energy with its accompanying problems, appropriate efficiency and economy in process for steel producing. In 2001 year we announced and described project for using of an additional alternative chemical energy in aggregate Electrical are furnace. In this work we will present realization, working experience and efficiency of the system for generating chemical energy. Practical realization needs serious approach in chemical energy usage The usage of chemical energy brings restrictions and needs many innovation for protection of equipment from shown aggressiveness during the combustion of fuel gasses. (Author)

  9. 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.)

  10. Energy consumption of chemical uranium enrichment

    International Nuclear Information System (INIS)

    Miyake, T.; Takeda, K.; Obanawa, H.

    1987-01-01

    A quantitative study of chemical separation energy for enriching uranium-235 by the redox chromatography was conducted. Isotope exchange reactions between U 4+ -UO 2 2+ ions in the enrichment column are maintained by the redox reactions. The chemical separation energy is ultimately supplied by hydrogen and oxygen gas for regenerating redox agents. The redox energy for the isotope separation is theoretically predicted as a function of the dynamic enrichment factor observed in the chromatographic development of uranium adsorption band. Thermodynamic treatments of the equilibrium reactions implies and inverse redox reaction which can be enhanced by the chemical potential of the ion-exchange reaction of oxidant. Experimental results showed 30 to 90% recovery of the redox energy by the inverse reaction. These results will devise a simplified redox chromatography process where a number of columns in one module is reduced

  11. An Energy Efficiency Evaluation Method Based on Energy Baseline for Chemical Industry

    OpenAIRE

    Yao, Dong-mei; Zhang, Xin; Wang, Ke-feng; Zou, Tao; Wang, Dong; Qian, Xin-hua

    2016-01-01

    According to the requirements and structure of ISO 50001 energy management system, this study proposes an energy efficiency evaluation method based on energy baseline for chemical industry. Using this method, the energy plan implementation effect in the processes of chemical production can be evaluated quantitatively, and evidences for system fault diagnosis can be provided. This method establishes the energy baseline models which can meet the demand of the different kinds of production proce...

  12. 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.

  13. 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.

  14. 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

  15. The energy future and the chemical fuels

    International Nuclear Information System (INIS)

    Bockris, J.O'M.

    1976-01-01

    An account is first given of the origin of present chemical fuels, with particular reference to the lastingness of coal. Methods of estimation of these fuels are discussed and the greenhouse effect arising from the burning of coal is described. Consideration is then given to methods available for extending the uses of chemical fuels, including interfacing them with new inexhaustible, clean energy sources. Finally, accounts are given of the Hydrogen Economy and of the production of chemical fuels from wind energy in massive wind belts. The paper includes references to the part that nuclear power was expected to play in future energy policy. Problems of breeder reactor development and the safety and management of plutonium and radioactive wastes are discussed. (author)

  16. Research progress about chemical energy storage of solar energy

    Science.gov (United States)

    Wu, Haifeng; Xie, Gengxin; Jie, Zheng; Hui, Xiong; Yang, Duan; Du, Chaojun

    2018-01-01

    In recent years, the application of solar energy has been shown obvious advantages. Solar energy is being discontinuity and inhomogeneity, so energy storage technology becomes the key to the popularization and utilization of solar energy. Chemical storage is the most efficient way to store and transport solar energy. In the first and the second section of this paper, we discuss two aspects about the solar energy collector / reactor, and solar energy storage technology by hydrogen production, respectively. The third section describes the basic application of solar energy storage system, and proposes an association system by combining solar energy storage and power equipment. The fourth section briefly describes several research directions which need to be strengthened.

  17. Fuels and chemicals from biomass using solar thermal energy

    Science.gov (United States)

    Giori, G.; Leitheiser, R.; Wayman, M.

    1981-01-01

    The significant nearer term opportunities for the application of solar thermal energy to the manufacture of fuels and chemicals from biomass are summarized, with some comments on resource availability, market potential and economics. Consideration is given to the production of furfural from agricultural residues, and the role of furfural and its derivatives as a replacement for petrochemicals in the plastics industry.

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

    International Nuclear Information System (INIS)

    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 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.

  19. Energy Saving Potential, Costs and Uncertainties in the Industry: A Case Study of the Chemical Industry in Germany

    DEFF Research Database (Denmark)

    Bühler, Fabian; Guminski, Andrej; Gruber, Anna

    2017-01-01

    In Germany, 19.6 % of the industrial final energy consumption (FEC) can be allocated to the chemical industry. Energy efficiency measures with focus on the chemical industry could thus significantly contribute to reaching the German goal of reducing greenhouse gas emissions by 80 % in 2050 compared...

  20. 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.

  1. Method for producing chemical energy

    Science.gov (United States)

    Jorgensen, Betty S.; Danen, Wayne C.

    2004-09-21

    Fluoroalkylsilane-coated metal particles having a central metal core, a buffer layer surrounding the core, and a fluoroalkylsilane layer attached to the buffer layer are prepared by combining a chemically reactive fluoroalkylsilane compound with an oxide coated metal particle having a hydroxylated surface. The resulting fluoroalkylsilane layer that coats the particles provides them with excellent resistance to aging. The particles can be blended with oxidant particles to form energetic powder that releases chemical energy when the buffer layer is physically disrupted so that the reductant metal core can react with the oxidant.

  2. An Energy Efficiency Evaluation Method Based on Energy Baseline for Chemical Industry

    Directory of Open Access Journals (Sweden)

    Dong-mei Yao

    2016-01-01

    Full Text Available According to the requirements and structure of ISO 50001 energy management system, this study proposes an energy efficiency evaluation method based on energy baseline for chemical industry. Using this method, the energy plan implementation effect in the processes of chemical production can be evaluated quantitatively, and evidences for system fault diagnosis can be provided. This method establishes the energy baseline models which can meet the demand of the different kinds of production processes and gives the general solving method of each kind of model according to the production data. Then the energy plan implementation effect can be evaluated and also whether the system is running normally can be determined through the baseline model. Finally, this method is used on cracked gas compressor unit of ethylene plant in some petrochemical enterprise; it can be proven that this method is correct and practical.

  3. Argonne Chemical Sciences & Engineering - Center for Electrical Energy

    Science.gov (United States)

    Laboratory Chemical Sciences & Engineering DOE Logo CSE Home About CSE Research Facilities People Publications Awards News & Highlights Events Search Argonne ... Search Argonne Home > Chemical Sciences & Engineering > Fundamental Interactions Catalysis & Energy Conversion Electrochemical

  4. Efficiency of Energy Transduction in a Molecular Chemical Engine

    OpenAIRE

    Sasaki, Kazuo; Kanada, Ryo; Amari, Satoshi

    2006-01-01

    A simple model of the two-state ratchet type is proposed for molecular chemical engines that convert chemical free energy into mechanical work and vice versa. The engine works by catalyzing a chemical reaction and turning a rotor. Analytical expressions are obtained for the dependences of rotation and reaction rates on the concentrations of reactant and product molecules, from which the performance of the engine is analyzed. In particular, the efficiency of energy transduction is discussed in...

  5. Chemical composition, true metabolisable energy content and ...

    African Journals Online (AJOL)

    The physical characteristics (thousand seed and hectolitre mass), chemical composition (dry matter, ash, crude protein (CP), ether extract, acid detergent fibre, neutral detergent fibre and mineral content), energy values (nitrogen corrected true metabolisable energy content (TMEn for roosters)) as well as the lysine and ...

  6. Thermal energy storage using thermo-chemical heat pump

    International Nuclear Information System (INIS)

    Hamdan, M.A.; Rossides, S.D.; Haj Khalil, R.

    2013-01-01

    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.

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

    International Nuclear Information System (INIS)

    2001-01-01

    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

  8. 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.

  9. Significant thermal energy reduction in lactic acid production process

    International Nuclear Information System (INIS)

    Mujtaba, Iqbal M.; Edreder, Elmahboub A.; Emtir, Mansour

    2012-01-01

    Lactic acid is widely used as a raw material for the production of biodegradable polymers and in food, chemical and pharmaceutical industries. The global market for lactic acid is expected to reach 259 thousand metric tons by the year 2012. For batch production of lactic acid, the traditional process includes the following steps: (i) esterification of impure lactic acid with methanol in a batch reactor to obtain methyl lactate (ester), (ii) separation of the ester in a batch distillation, (iii) hydrolysis of the ester with water in a batch reactor to produce lactic acid and (iv) separation of lactic acid (in high purity) in a batch distillation. Batch reactive distillation combines the benefit of both batch reactor and batch distillation and enhances conversion and productivity (Taylor and Krishna, 2000 ; Mujtaba and Macchietto, 1997 ). Therefore, the first and the last two steps of the lactic acid production process can be combined together in batch reactive distillation () processes. However, distillation (batch or continuous) is an energy intensive process and consumes large amount of thermal energy (via steam). This paper highlights how significant (over 50%) reduction in thermal energy consumption can be achieved for lactic acid production process by carefully controlling the reflux ratio but without compromising the product specification. In this paper, only the simultaneous hydrolysis of methyl lactate ester and the separation of lactic acid using batch reactive distillation is considered.

  10. 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.

  11. 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.

  12. Geothermy, a significant energy source in the Republic of Macedonia

    International Nuclear Information System (INIS)

    Kotevski, Georgi; Sutinova, Jagoda; Donev, S.; Novkovski, Todor

    1995-01-01

    According to the recent investigations, it is ascertain that the Republic of Macedonia is one of the richest thermal waters regions. Therefore, the territory of Macedonia is a perspective terrain for geothermal energy exploration. The aim of this paper is to point out the main localities that are priority for further geothermal energy investigations. The chemical analysis of the Macedonian geothermal waters is also presented

  13. 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.

  14. 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.

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

    International Nuclear Information System (INIS)

    Negron Mendoza, A.; Albarran, G.

    1992-01-01

    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)

  16. 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.

  17. 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)

  18. 75 FR 4983 - Significant New Use Rules on Certain Chemical Substances

    Science.gov (United States)

    2010-02-01

    ... this substance (see Unit V. of the proposed rule). Use of most flammable refrigerants, including the... 2070-AB27 Significant New Use Rules on Certain Chemical Substances AGENCY: Environmental Protection...) under section 5(a)(2) of the Toxic Substances Control Act (TSCA) for 15 chemical substances which were...

  19. 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.

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

    International Nuclear Information System (INIS)

    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 statistics in the Netherlands between 1995 and 2004 to find causes for these irregularities. We discovered that chemical products have occasionally been included, resulting in statistics with an inconsistent system boundary. Lack of guidance in the survey for the complex energy conversions in the chemical industry in the survey also resulted in large fluctuations for certain energy commodities. The findings of our analysis have been the basis for a new survey that has been used since 2007. We demonstrate that the annual questionnaire used for the international energy statistics can result in comparable problems as observed in the Netherlands. We suggest to include chemical residual gas as energy commodity in the questionnaire and to include the energy conversions in the chemical industry in the international energy statistics. In addition, we think the questionnaire should be explicit about the treatment of basic chemical products produced at refineries and in the petrochemical industry to avoid system boundary problems

  1. Selective chemical detection by energy modulation of sensors

    Science.gov (United States)

    Stetter, J.R.; Otagawa, T.

    1985-05-20

    A portable instrument for use in the field in detecting, identifying, and quantifying a component of a sampled fluid includes a sensor which chemically reacts with the component of interest or a derivative thereof, an electrical heating filament for heating the sample before it is applied to the sensor, and modulating means for continuously varying the temperature of the filament (and hence the reaction rate) between two values sufficient to produce the chemical reaction. In response to this thermal modulation, the sensor produces a modulated output signal, the modulation of which is a function of the activation energy of the chemical reaction, which activation energy is specific to the particular component of interest and its concentration. Microprocessor means compares the modulated output signal with standard responses for a plurality of components to identify and quantify the particular component of interest. 4 figs.

  2. The patterns of energy use in the chemical industry

    International Nuclear Information System (INIS)

    Steinmeyer, D.

    1997-01-01

    This paper was sculpted from a report commissioned by the Department of Energy to assess the impact of proposed energy taxes on energy use by the US chemical industry. The discussion of energy taxes is eliminated here, however the broader discussion of the impact of energy prices on energy use is retained. The US chemical industry is currently the world leader by many important measures, such as technology contributions and employment. This leadership traces to a slate of advantages: science base, low cost energy, large market and economic/political stability. The focus of this paper is on the patterns of energy use: (1) There is an optimum economic trade of capital against energy. Industry optimizes this trade to lower its costs. For the large volume chemicals which dominate energy use, this tradable capital cost exceeds energy cost by a factor of 1.5. (2) The capital/energy trade follows clearly defined rules. The basic rules are rooted in thermodynamics. (3) An increase in energy prices would result in a drop in process energy use: a doubling of process energy prices would cut process energy use by approximately 1/3 but the capital cost would be in excess of $100 billion if driven into a short time span, such as 5 years. This is because of the long useful lifetime of capital facilities. (4) Process energy is about half the total energy use, with feedstock being the balance. Feedstock use is much less sensitive to price. Restated, the doubling of energy price will result in roughly a 1/6 reduction in total energy use. (5) Technology progress will also reduce energy use. This reduction is distinct from the impact of energy price. Technological progress will be at least as important in reducing energy use as will energy pricing, for the foreseeable future. (6) Technology progress can be sorted into two themes: (a) Learning curve improvements, which are almost inherent in the production process and the nature of competition; and (b) Breakthroughs that happen in a

  3. Thermo-electro-chemical storage (TECS) of solar energy

    International Nuclear Information System (INIS)

    Wenger, Erez; Epstein, Michael; Kribus, Abraham

    2017-01-01

    Highlights: • A solar plant with thermally regenerative battery unifies energy conversion and storage. • Storage is a flow battery with thermo-chemical charging and electro-chemical discharging. • Sodium-sulfur and zinc-air systems are investigated as candidate storage materials. • Theoretical solar to electricity efficiencies of over 60% are predicted. • Charging temperature can be lowered with hybrid carbothermic reduction. - Abstract: A new approach for solar electricity generation and storage is proposed, based on the concept of thermally regenerative batteries. Concentrated sunlight is used for external thermo-chemical charging of a flow battery, and electricity is produced by conventional electro-chemical discharge of the battery. The battery replaces the steam turbine, currently used in commercial concentrated solar power (CSP) plants, potentially leading to much higher conversion efficiency. This approach offers potential performance, cost and operational advantages compared to existing solar technologies, and to existing storage solutions for management of an electrical grid with a significant contribution of intermittent solar electricity generation. Here we analyze the theoretical conversion efficiency for new thermo-electro-chemical storage (TECS) plant schemes based on the electro-chemical systems of sodium-sulfur (Na-S) and zinc-air. The thermodynamic upper limit of solar to electricity conversion efficiency for an ideal TECS cycle is about 60% for Na-S at reactor temperature of 1550 K, and 65% for the zinc-air system at 1750 K, both under sunlight concentration of 3000. A hybrid process with carbothermic reduction in the zinc-air system reaches 60% theoretical efficiency at the more practical conditions of reaction temperature <1200 K and concentration <1000. Practical TECS plant efficiency, estimated from these upper limits, may then be much higher compared to existing solar electricity technologies. The technical and economical

  4. Production of high-energy chemicals using solar energy heat. Project 8999, final report for the period September 1, 1977--May 31, 1978

    Energy Technology Data Exchange (ETDEWEB)

    Dafler, J.R.; Sinnott, J.; Novil, M.; Yudow, B.D.; Rackoff, M.G.

    1978-12-01

    The first phase of a study to identify candidate processes and products suitable for future exploitation using high-temperature solar energy is presented. This phase has been principally analytical, consisting of techno-economic studies, thermodynamic assessments of chemical reactions and processes, and the determination of market potentials for major chemical commodities that use significant amounts of fossil resources today. The objective was to identify energy-intensive processes that would be suitable for the production of chemicals and fuels using solar energy process heat. Of particular importance was the comparison of relative costs and energy requirements for the selected solar product versus costs for the product derived from conventional processing. The assessment methodology used a systems analytical approach to identify processes and products having the greatest potential for solar energy-thermal processing. This approach was used to establish the basis for work to be carried out in subsequent phases of development. It has been the intent of the program to divide the analysis and process identification into the following three distinct areas: (1) process selection, (2) process evaluation, and (3) ranking of processes. Four conventional processes were selected for assessment namely, methanol synthesis, styrene monomer production, vinyl chloride monomer production, and terephthalic acid production.

  5. Thermodynamics of the living organisms. Allometric relationship between the total metabolic energy, chemical energy and body temperature in mammals

    Science.gov (United States)

    Atanasov, Atanas Todorov

    2017-11-01

    The study present relationship between the total metabolic energy (ETME(c), J) derived as a function of body chemical energy (Gchem, J) and absolute temperature (Tb, K) in mammals: ETME(c) =Gchem (Tb/Tn). In formula the temperature Tn =2.73K appears normalization temperature. The calculated total metabolic energy ETME(c) differs negligible from the total metabolic energy ETME(J), received as a product between the basal metabolic rate (Pm, J/s) and the lifespan (Tls, s) of mammals: ETME = Pm×Tls. The physical nature and biological mean of the normalization temperature (Tn, K) is unclear. It is made the hypothesis that the kTn energy (where k= 1.3806×10-23 J/K -Boltzmann constant) presents energy of excitation states (modes) in biomolecules and body structures that could be in equilibrium with chemical energy accumulated in body. This means that the accumulated chemical energy allows trough all body molecules and structures to propagate excitations states with kTn energy with wavelength in the rage of width of biological membranes. The accumulated in biomolecules chemical energy maintains spread of the excited states through biomolecules without loss of energy.

  6. 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...

  7. 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.

  8. 77 FR 43520 - Significant New Use Rules on a Certain Chemical Substance; Removal of Significant New Use Rules

    Science.gov (United States)

    2012-07-25

    ... April 27, 2012 (77 FR 25236) (FRL-9343-4). If you have questions regarding the applicability of this... (77 FR 25236). If you have questions, consult the technical person listed under FOR FURTHER... 2070-AB27 Significant New Use Rules on a Certain Chemical Substance; Removal of Significant New Use...

  9. Control of electro-chemical processes using energy harvesting materials and devices.

    Science.gov (United States)

    Zhang, Yan; Xie, Mengying; Adamaki, Vana; Khanbareh, Hamideh; Bowen, Chris R

    2017-12-11

    Energy harvesting is a topic of intense interest that aims to convert ambient forms of energy such as mechanical motion, light and heat, which are otherwise wasted, into useful energy. In many cases the energy harvester or nanogenerator converts motion, heat or light into electrical energy, which is subsequently rectified and stored within capacitors for applications such as wireless and self-powered sensors or low-power electronics. This review covers the new and emerging area that aims to directly couple energy harvesting materials and devices with electro-chemical systems. The harvesting approaches to be covered include pyroelectric, piezoelectric, triboelectric, flexoelectric, thermoelectric and photovoltaic effects. These are used to influence a variety of electro-chemical systems such as applications related to water splitting, catalysis, corrosion protection, degradation of pollutants, disinfection of bacteria and material synthesis. Comparisons are made between the range harvesting approaches and the modes of operation are described. Future directions for the development of electro-chemical harvesting systems are highlighted and the potential for new applications and hybrid approaches are discussed.

  10. Conversion of concentrated solar thermal energy into chemical energy.

    Science.gov (United States)

    Tamaura, Yutaka

    2012-01-01

    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/m(2) 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(2) releasing reaction (α-O(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(2) gas formation from the O(2-) 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.

  11. Regional and global significance of nuclear energy

    International Nuclear Information System (INIS)

    Schilling, H.D.

    1995-01-01

    Measures to combat poverty and improve the standard of living in countries of the Third World will inevitably boost global demand for energy, and energy conservation measures will not be able to offset this increase. Nuclear energy will regain significance in the framework of approaches adopted to resolve the energy problem, which primarily is an ecologic problem created by an extremely large flow of materials. The extraordinarily high energy density of nuclear fuels can contribute to markedly reduce the flow of materials; and at that, electric energy is an efficient substitute for primary energy forms. Thus nuclear electricity generation is of double benefit to the ecology. Engineering goals in nuclear technology thus gain a service aspect, with progress in power plant engineering and design aiming not only at enhanced engineered safety, but also at regaining public acceptance of and confidence in nuclear power plant technology. (orig./UA) [de

  12. The quest for greater chemical energy storage in energetic materials: Grounding expectations

    Science.gov (United States)

    Lindsay, C. Michael; Fajardo, Mario E.

    2017-01-01

    It is well known that the performance of modern energetic materials based on organic chemistry has plateaued, with only ˜ 40% improvements realized over the past half century. This fact has stimulated research on alternative chemical energy storage schemes in various U.S. 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. This paper discusses the lessons learned in the various HEDM programs, the different degrees of freedom in which to store energy in materials, and the fundamental limitations and orders of magnitude of the energies involved. The discussion focuses almost exclusively on the topic of energy density and only mentions in passing other equally important properties of explosives and propellants such as gas generation and reaction rate.

  13. 77 FR 25235 - Significant New Use Rules on Certain Chemical Substances

    Science.gov (United States)

    2012-04-27

    .... discusses a procedure companies may use to ascertain whether a proposed use constitutes a significant new...-00-2, P-00-5, and P-00-6 Chemical names: Polymeric MDI based polyurethanes (generic). CAS numbers...

  14. 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

  15. Analysis of energy cascade utilization in a chemically recuperated scramjet with indirect combustion

    International Nuclear Information System (INIS)

    Qin, Jiang; Cheng, Kunlin; Zhang, Silong; Zhang, Duo; Bao, Wen; Han, Jiecai

    2016-01-01

    The working process of scramjet with regenerative cooling, which was actually the chemical recuperation process, was analyzed in view of energy cascade utilization. The indirect combustion was realized through pyrolysis reaction of fuel. The relative yields of thermal exergy obtained by indirect combustion have been predicted both assuming an ideal pyrolysis reaction and using the experimental results of thermal pyrolysis of n-decane. The results showed that the influence mechanism of regenerative cooling improved the scramjet engine performance by the energy cascade utilization, and the combustion process was supposed to be designed with the cooling process together to utilize the chemical energy of fuel in a more effective way. A maximum value of 11% of the relative yield was obtained with the ideal pyrolysis reaction while a value less than 3% existed in the thermal pyrolysis experiments because of the domination of chemical kinetics rather than chemical thermodynamics in the real experiments. In spite of the difference between the ideal and the present experimental results, the indirect combustion was prospective to achieve a better energy cascade utilization in a chemically recuperated scramjet if the pyrolysis reaction was further optimized. The results in this paper were beneficial for the performance optimization of a regenerative cooling scramjet. - Highlights: • A new method of energy cascade utilization in a chemically recuperated scramjet. • 11% exergy loss is reduced by ideal pyrolysis reaction with indirect combustion. • Regenerative cooling with chemical recuperation can improve engine performance.

  16. 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.

  17. Innovative Phase Change Approach for Significant Energy Savings

    Science.gov (United States)

    2016-09-01

    related to the production, use, transmission , storage, control, or conservation of energy that will – (A) reduce the need for additional energy supplies...Conditions set for operation were: a. The computer with the broadband wireless card is to be used for data collection, transmission and...FINAL REPORT Innovative Phase Change Approach for Significant Energy Savings ESTCP Project EW-201138 SEPTEMBER 2016 Dr. Aly H Shaaban Applied

  18. Purposeful synthesis of chemical elements and ecologically pure mobile sources of energy

    International Nuclear Information System (INIS)

    Krivitsky, V. A.; Gareev, F. A.

    2007-01-01

    It is well known [1] that the natural geo-transmutation of chemical elements occurs in the atmosphere and earth in the regions of a strong change in geo-, bio-, acoustic-, and electromagnetic fields. The mineral row materials contain the same accompanying chemical combinations which are independent of mineral deposit [2]. This means that the formation of chemical elements occurs in the same physical and chemical conditions. These conditions were simulated on the fundamental cooperative resonance synchronization principle [1]. The experimental facility was constructed on the basis of our model which provided with the calculated final chemical elements. These experimental results indicate new possibilities for, simulating, inducing and controlling nuclear reactions by low energy external fields. The borrowing from the geo-transmutation mechanisms of chemical elements creates the fundamental directions in low energy nuclear reaction researches for construction of new ecologically pure mobile sources of energy independent of oil, gas and coal, new substances, and technologies. References [1] F.A. Gareev, I.E. Zhidkova, E-print arXiv Nucl-th/0610002 2006. [2] V.A. Krivzskii, Transmutazija ximicheskix elementov v evolyuzii Semli (in Russian), Moscow 2003

  19. Chemical composition, true metabolisable energy content and ...

    African Journals Online (AJOL)

    aneldavh

    116. Chemical composition, true metabolisable energy content and amino acid availability of grain legumes for poultry. T.S. Brand. 1, 2,3#. , D.A. Brandt. 1, 2,4 and C.W. ... alternatives (Wiseman, 1987; Brand et al., 1995). ..... The Ca, P and trace element concentrations for lupins, faba beans and peas recorded in the present.

  20. New alternative energy pathway for chemical pulp mills: From traditional fibers to methane production.

    Science.gov (United States)

    Rodriguez-Chiang, Lourdes; Vanhatalo, Kari; Llorca, Jordi; Dahl, Olli

    2017-07-01

    Chemical pulp mills have a need to diversify their end-product portfolio due to the current changing bio-economy. In this study, the methane potential of brown, oxygen delignified and bleached pulp were evaluated in order to assess the potential of converting traditional fibers; as well as microcrystalline cellulose and filtrates; to energy. Results showed that high yields (380mL CH 4 /gVS) were achieved with bleached fibers which correlates with the lower presence of lignin. Filtrates from the hydrolysis process on the other hand, had the lowest yields (253mL CH 4 /gVS) due to the high amount of acid and lignin compounds that cause inhibition. Overall, substrates had a biodegradability above 50% which demonstrates that they can be subjected to efficient anaerobic digestion. An energy and cost estimation showed that the energy produced can be translated into a significant profit and that methane production can be a promising new alternative option for chemical pulp mills. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. 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.

  2. Chemically and Thermally Stable High Energy Density Silicone Composites, Phase I

    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...

  3. Energy and environmental challenges to chemical engineers

    International Nuclear Information System (INIS)

    McHenry, K.W.

    1991-01-01

    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

  4. 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...

  5. The application of nuclear energy to the Canadian chemical process industry

    International Nuclear Information System (INIS)

    Robertson, R.F.S.

    1976-03-01

    A study has been made to determine what role nuclear energy, either electrical or thermal, could play in the Canadian chemical process industry. The study was restricted to current-scale CANDU type power reactors. It is concluded that the scale of operation of the chemical industry is rarely large enough to use blocks of electrical power (e) of 500 MW or thermal power (t) of 1500 MW. Thus, with a few predictable exceptions, the role of nuclear energy in the Canadian chemical industry will be as a general thermal/electrical utility supplier, serving a variety of customers in a particular geographic area. This picture would change if nuclear steam generators of 20 to 50 MW(t) become available and are economically competitive. (author)

  6. 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.

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

    International Nuclear Information System (INIS)

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

    2002-01-01

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

  8. 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.

  9. Energy saving analysis and management modeling based on index decomposition analysis integrated energy saving potential method: Application to complex chemical processes

    International Nuclear Information System (INIS)

    Geng, Zhiqiang; Gao, Huachao; Wang, Yanqing; Han, Yongming; Zhu, Qunxiong

    2017-01-01

    Highlights: • The integrated framework that combines IDA with energy-saving potential method is proposed. • Energy saving analysis and management framework of complex chemical processes is obtained. • This proposed method is efficient in energy optimization and carbon emissions of complex chemical processes. - Abstract: Energy saving and management of complex chemical processes play a crucial role in the sustainable development procedure. In order to analyze the effect of the technology, management level, and production structure having on energy efficiency and energy saving potential, this paper proposed a novel integrated framework that combines index decomposition analysis (IDA) with energy saving potential method. The IDA method can obtain the level of energy activity, energy hierarchy and energy intensity effectively based on data-drive to reflect the impact of energy usage. The energy saving potential method can verify the correctness of the improvement direction proposed by the IDA method. Meanwhile, energy efficiency improvement, energy consumption reduction and energy savings can be visually discovered by the proposed framework. The demonstration analysis of ethylene production has verified the practicality of the proposed method. Moreover, we can obtain the corresponding improvement for the ethylene production based on the demonstration analysis. The energy efficiency index and the energy saving potential of these worst months can be increased by 6.7% and 7.4%, respectively. And the carbon emissions can be reduced by 7.4–8.2%.

  10. 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.

  11. Chemical process safety management within the Department of Energy

    International Nuclear Information System (INIS)

    Piatt, J.A.

    1995-07-01

    Although the Department of Energy (DOE) is not well known for its chemical processing activities, the DOE does have a variety of chemical processes covered under OSHA's Rule for Process Safety Management of Highly Hazardous Chemicals (the PSM Standard). DOE, like industry, is obligated to comply with the PSM Standard. The shift in the mission of DOE away from defense programs toward environmental restoration and waste management has affected these newly forming process safety management programs within DOE. This paper describes the progress made in implementing effective process safety management programs required by the PSM Standard and discusses some of the trends that have supported efforts to reduce chemical process risks within the DOE. In June of 1994, a survey of chemicals exceeding OSHA PSM or EPA Risk Management Program threshold quantities (TQs) at DOE sites found that there were 22 processes that utilized toxic or reactive chemicals over TQs; there were 13 processes involving flammable gases and liquids over TQs; and explosives manufacturing occurred at 4 sites. Examination of the survey results showed that 12 of the 22 processes involving toxic chemicals involved the use of chlorine for water treatment systems. The processes involving flammable gases and liquids were located at the Strategic Petroleum Reserve and Naval petroleum Reserve sites

  12. Transport of chemically bonded nuclear energy in a closed cycle with special consideration to energy disconnection

    International Nuclear Information System (INIS)

    Ossami, S.

    1976-01-01

    The article describes the utilisation of nuclear energy in the form of 'nuclear long-distance energy'. Heat produced by nuclear fission is bonded to a reversible chemical reaction (cracking gas) which release the heat again at the place of comsumption by catalytic transformation. The article deals in particular with the process of methane cracking/methanisation, the disconnection of the energy (heat) by the methanisation process and the decisive role of the methanisation catalyzers. (orig.) [de

  13. The significance of feedback control for chemical sensors

    NARCIS (Netherlands)

    Bergveld, Piet

    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

  14. 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)

  15. 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

    2014-11-05

    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. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. A calibrated energy end-use model for the U.S. chemical industry

    International Nuclear Information System (INIS)

    Ozalp, N.; Hyman, B.

    2005-01-01

    The chemical industry is the second largest energy user after the petroleum industry in the United States. This paper provided a model for onsite steam and power generation in the chemical industry, as well as an end-use of the industrial gas manufacturing sector. The onsite steam and power generation model included the actual conversion efficiencies of prime movers in the sector. The energy end-use model also allocated combustible fuel and renewable energy inputs among generic end-uses including intermediate conversions through onsite power and steam generation. The model was presented in the form of a graphical depiction of energy flows. Results indicate that 35 per cent of the energy output from boilers is used for power generation, whereas 45 per cent goes directly to end-uses and 20 per cent to waste heat tanks for recovery in the chemical industry. The end-use model for the industrial gas manufacturing sector revealed that 42 per cent of the fuel input goes to onsite steam and power generation, whereas 58 per cent goes directly to end-uses. Among the end-uses, machine drive was the biggest energy user. It was suggested that the model is applicable to all other industries and is consistent with U.S. Department of Energy data for 1998. When used in conjunction with similar models for other years, it can be used to identify changes and trends in energy utilization at the prime mover level of detail. An analysis of the economic impact of energy losses can be based on the results of this model. Cascading of waste heat from high temperature processes to low temperature processes could be integrated into the model. 20 refs., 4 tabs., 8 figs

  17. 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.

  18. Determination of Gibbs energies of formation in aqueous solution using chemical engineering tools.

    Science.gov (United States)

    Toure, Oumar; Dussap, Claude-Gilles

    2016-08-01

    Standard Gibbs energies of formation are of primary importance in the field of biothermodynamics. In the absence of any directly measured values, thermodynamic calculations are required to determine the missing data. For several biochemical species, this study shows that the knowledge of the standard Gibbs energy of formation of the pure compounds (in the gaseous, solid or liquid states) enables to determine the corresponding standard Gibbs energies of formation in aqueous solutions. To do so, using chemical engineering tools (thermodynamic tables and a model enabling to predict activity coefficients, solvation Gibbs energies and pKa data), it becomes possible to determine the partial chemical potential of neutral and charged components in real metabolic conditions, even in concentrated mixtures. Copyright © 2016 Elsevier Ltd. All rights reserved.

  19. Energy crisis and changes in the structure of the chemical industry

    Energy Technology Data Exchange (ETDEWEB)

    Dedov, A G

    1980-01-01

    The effect of the energy crisis together with higher prices and inflation on the chemical industry is reviewed. One effect has been the search for more energy-efficient processes and more widely available raw materials. Measures taken by the industry have included the control of expenses and losses, utilization of secondary materials and energy resources and the development of new technological growth of the industry and has shifted emphasis to small-scale rather than large-scale chemical production. Capital has also been used more for modernizing existing equipment and facilities than for new construction, and industrialized countries have invested more heavily in developing countries. Trade relations between socialist and western countries have also improved. Improvements have been made in the production of aromatic hydrocarbons by extraction with the use of more efficient solvents, in catalytic and thermic hydrodealkylation of toluene, in the chlorine and nitrogen industries, in phosphorus and phosphoric acid production and in benzene and butadiene production. A new scheme for hydroxylamine production and a new technology for styrene and methanol production have been developed. Direct hydration of propylene has been introduced into the production of isopropanol and propylene ammonolysis has been used to obtain acrylonitrile. Changes in the chemical industry have reduced energy consumption per production unit by 14.2% in the U.S.A. in 1977 in comparison with 1972 and by 14.0% in Common Market countries during 1970-1976.

  20. Chemical heat pump and chemical energy storage system

    Science.gov (United States)

    Clark, Edward C.; Huxtable, Douglas D.

    1985-08-06

    A chemical heat pump and storage system employs sulfuric acid and water. In one form, the system includes a generator and condenser, an evaporator and absorber, aqueous acid solution storage and water storage. During a charging cycle, heat is provided to the generator from a heat source to concentrate the acid solution while heat is removed from the condenser to condense the water vapor produced in the generator. Water is then stored in the storage tank. Heat is thus stored in the form of chemical energy in the concentrated acid. The heat removed from the water vapor can be supplied to a heat load of proper temperature or can be rejected. During a discharge cycle, water in the evaporator is supplied with heat to generate water vapor, which is transmitted to the absorber where it is condensed and absorbed into the concentrated acid. Both heats of dilution and condensation of water are removed from the thus diluted acid. During the discharge cycle the system functions as a heat pump in which heat is added to the system at a low temperature and removed from the system at a high temperature. The diluted acid is stored in an acid storage tank or is routed directly to the generator for reconcentration. The generator, condenser, evaporator, and absorber all are operated under pressure conditions specified by the desired temperature levels for a given application. The storage tanks, however, can be maintained at or near ambient pressure conditions. In another form, the heat pump system is employed to provide usable heat from waste process heat by upgrading the temperature of the waste heat.

  1. Book of abstracts Chemical Engineering: IV All-Russian Conference on chemical engineering, All-Russian Youth Conference on chemical engineering, All-Russian school on chemical engineering for young scientists and specialists. Chemical engineering of nanomaterials. Energy- and resource-saving chemical-engineering processes and problems of their intensification. Processes and apparatuses of chemical engineering, chemical cybernetics. Ecological problems of chemical engineering and related fields

    International Nuclear Information System (INIS)

    Zakhodyaeva, Yu.A.; Belova, V.V.

    2012-01-01

    In the given volume of abstracts of the IV All-Russian Conference on chemical engineering, All-Russian Youth Conference on chemical engineering, All-Russian school on chemical engineering for young scientists and specialists (Moscow, March 18-23, 2012) there are the abstracts of the reports concerning chemical engineering of nanomaterials, energy- and resource-saving chemical-engineering processes, processes and apparatuses of chemical engineering, chemical cybernetics, ecological problems of chemical engineering and related fields. The abstracts deal with state-of-the-art and future development of theoretical and experimental investigations as well as with experience in practical realization of development works in the field of chemical engineering and relative areas [ru

  2. Significant decimal digits for energy representation on short-word computers

    International Nuclear Information System (INIS)

    Sartori, E.

    1989-01-01

    The general belief that single precision floating point numbers have always at least seven significant decimal digits on short word computers such as IBM is erroneous. Seven significant digits are required however for representing the energy variable in nuclear cross-section data sets containing sharp p-wave resonances at 0 Kelvin. It is suggested that either the energy variable is stored in double precision or that cross-section resonances are reconstructed to room temperature or higher on short word computers

  3. Chemical Production of Graphene Catalysts for Electrochemical Energy Conversion

    DEFF Research Database (Denmark)

    Seselj, Nedjeljko

    by scanning tunneling microscopy (STM), to investigate the nature of L-cysteine bonds on Au. Synthesized electrocatalysts were characterized by spectroscopic, microscopic and electrochemical techniques. Electrocatalysis was examined by electrochemical oxidation of formic acid, methanol and ethanol, and oxygen......Recently developed FC technology is among many approaches aiming at solving the global energy challenges. FCs are electrochemical devices that convert chemical energy from fuel molecules into electrical energy via electrochemical reactions. FCs are, however, limited by the scarce and expensive...... was achieved via L-cysteine linker molecules that provided pathways for fast electron transfers during the electrocatalytic reactions. Electrochemical properties of selfassembled L-cysteine monolayers immobilized on single-crystal Au(111) surfaces were studied in ionic liquids and their structures imaged...

  4. Destruction of highly toxic chemical materials by using the energy of underground thermonuclear explosion

    International Nuclear Information System (INIS)

    Trutnev, Y.

    1991-01-01

    One of the main problems of modern technogenic civilisation is the evergrowing ecological crisis caused by the growth of industrial wastes harmful for biosphere. Among them the radioactive wastes of atomic energetics, worked out nuclear energy facilities and toxic wastes from various chemical plants begin to play a specific role. Traditional technologies of destruction and disposal of these wastes demand great investments up to many billions of dollars, enormous maintenance expenditures, occupation of substantial territories by new productions and security zones as well as many qualified specialists. On the other hand potential accidents during the conventional processes of waste reprocessing are fraught with the possibility of large ecological disasters, that are the reason of strong oppositions of population and 'green movement' to the foundation of such installations. So, rather progressive seem to be the technologies based on the utilisation of underground nuclear explosion energy for annihilations and disposal of high-level wastes of atomic energetics and nuclear facilities as well as for thermal decomposition of chemically toxic substances at extremely high temperatures. These technologies will be rather cheap, they will allow to process big amounts of materials in ecologically safe form far from the populated regions and will need a commercially beneficial if used for international purposes. The application of these technologies may be of great significance for realisation of disarmament process- destruction of chemical weapons and in future the nuclear warheads and some production components. (au)

  5. Evacuation of performance and significant chemical constituents and by products in drinking water treatment

    International Nuclear Information System (INIS)

    Jamrah, I. A.

    1999-01-01

    Drinking water treatment is a task that comprises of several processes that eventually lead to the addition of chemicals to achieve the objectives of treatment. This study was conducted to assess treatment performance, explain the presence of significant chemical species in water, and investigate the interactions and chemical by-products that are formed during the course of treatment. Grab water samples were collected on a regular basis from the influent and effluent of Zai water treatment plant. Chemical analysis were conducted to determine the concentrations of various chemical species of interest. Turbidity, temperature, and pH of the samples were also measured. The study concluded that Zai Water Treatment Plant produces potable drinking water in accordance with Jordanian Standards. The use of treatment chemical resulted in an increase in the concentrations of certain materials, such as manganese, aluminum, and sulfate. The turbidity of the raw water and the TOC of the samples were positively correlated, and the treatment results in approximately 20% TOC reduction, which demonstrates that the measures used for the control of TOC (carbon adsorption and permanganate pre-oxidation), are not very effective. The study also showed that the TOC content of our raw water samples and the concentration of tribalomethanes resulting after disinfection were positively correlated, and that bromoform was the dominant component. Also chloroform was the minor component of tribalomethanes formed during treatment. Positive correlation between the total concentration of tribalomethanes in water and the chlorine dose used for disinfection was also observed, and the total concentration of tribalomethanes increased with temperature. The formation of tribalomethanes was enhanced as the pH of water increased and as the concentration of bromide ion in raw water became significant. (author). 25 refs., 14 figs.1 table

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

    Science.gov (United States)

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

    2016-04-27

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

  7. 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)

    2006-11-01

    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

  8. Chemical features, cholesterol and energy content of table hen eggs ...

    African Journals Online (AJOL)

    Chemical features, cholesterol and energy content of table hen eggs from conventional and alternative farming systems. ... South African Journal of Animal Science ... This study was carried out to investigate the effect of conventional farming systems for laying hens (standard cage batteries) and new alternative systems ...

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

    International Nuclear Information System (INIS)

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

    2013-01-01

    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

  10. Chemical Denaturants Smoothen Ruggedness on the Free Energy Landscape of Protein Folding.

    Science.gov (United States)

    Malhotra, Pooja; Jethva, Prashant N; Udgaonkar, Jayant B

    2017-08-08

    To characterize experimentally the ruggedness of the free energy landscape of protein folding is challenging, because the distributed small free energy barriers are usually dominated by one, or a few, large activation free energy barriers. This study delineates changes in the roughness of the free energy landscape by making use of the observation that a decrease in ruggedness is accompanied invariably by an increase in folding cooperativity. Hydrogen exchange (HX) coupled to mass spectrometry was used to detect transient sampling of local energy minima and the global unfolded state on the free energy landscape of the small protein single-chain monellin. Under native conditions, local noncooperative openings result in interconversions between Boltzmann-distributed intermediate states, populated on an extremely rugged "uphill" energy landscape. The cooperativity of these interconversions was increased by selectively destabilizing the native state via mutations, and further by the addition of a chemical denaturant. The perturbation of stability alone resulted in seven backbone amide sites exchanging cooperatively. The size of the cooperatively exchanging and/or unfolding unit did not depend on the extent of protein destabilization. Only upon the addition of a denaturant to a destabilized mutant variant did seven additional backbone amide sites exchange cooperatively. Segmentwise analysis of the HX kinetics of the mutant variants further confirmed that the observed increase in cooperativity was due to the smoothing of the ruggedness of the free energy landscape of folding of the protein by the chemical denaturant.

  11. Conducting Polymers in the Fields of Energy, Environmental Remediation, and Chemical-Chiral Sensors.

    Science.gov (United States)

    Ibanez, Jorge G; Rincón, Marina E; Gutierrez-Granados, Silvia; Chahma, M'hamed; Jaramillo-Quintero, Oscar A; Frontana-Uribe, Bernardo A

    2018-05-09

    Conducting polymers (CPs), thanks to their unique properties, structures made on-demand, new composite mixtures, and possibility of deposit on a surface by chemical, physical, or electrochemical methodologies, have shown in the last years a renaissance and have been widely used in important fields of chemistry and materials science. Due to the extent of the literature on CPs, this review, after a concise introduction about the interrelationship between electrochemistry and conducting polymers, is focused exclusively on the following applications: energy (energy storage devices and solar cells), use in environmental remediation (anion and cation trapping, electrocatalytic reduction/oxidation of pollutants on CP based electrodes, and adsorption of pollutants) and finally electroanalysis as chemical sensors in solution, gas phase, and chiral molecules. This review is expected to be comprehensive, authoritative, and useful to the chemical community interested in CPs and their applications.

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

    Science.gov (United States)

    Taştan, Özgecan; Yalçınkaya, Eylem; Boz, Yezdan

    2008-10-01

    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 group in which CCT instruction was applied, and the other as the control group in which traditional teaching method was used. The data were obtained through the use of Energy Concept Test (ECT), the Attitude Scale towards Chemistry (ASC) and Science Process Skill Test (SPST). In order to find out the effect of the conceptual change text on students' learning of energy concept, independent sample t-tests, ANCOVA (analysis of covariance) and ANOVA (analysis of variance) were used. Results revealed that there was a statistically significant mean difference between the experimental and control group in terms of students' ECT total mean scores; however, there was no statistically significant difference between the experimental and control group in terms of students' attitude towards chemistry. These findings suggest that conceptual change text instruction enhances the understanding and achievement.

  13. A hybrid solar and chemical looping combustion system for solar thermal energy storage

    International Nuclear Information System (INIS)

    Jafarian, Mehdi; Arjomandi, Maziar; Nathan, Graham J.

    2013-01-01

    Highlights: ► A novel solar–CLC hybrid system is proposed which integrates a CLC with solar thermal energy. ► The oxygen carrier particles are used as storage medium for thermal energy storage. ► A solar cavity reactor is proposed for fuel reactor. ► The absorbed solar energy is stored in the particles to produce a base heat load. -- Abstract: A novel hybrid of a solar thermal energy and a chemical looping combustion (CLC) system is proposed here, which employs the oxygen carrier particles in a CLC system to provide diurnal thermal energy storage for concentrated solar thermal energy. In taking advantage of the chemical and sensible energy storage systems that are an inherent part of a CLC system, this hybrid offers potential to achieve cost effective, base load power generation for solar energy. In the proposed system, three reservoirs have been added to a conventional CLC system to allow storage of the oxygen carrier particles, while a cavity solar receiver has been chosen for the fuel reactor. The performance of the system is evaluated using ASPEN PLUS software, with the model being validated using independent simulation result reported previously. Operating temperature, solar efficiency, solar fraction, exergy efficiency and the fraction of the solar thermal energy stored for a based load power generation application are reported.

  14. 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.

  15. Is the Lamb shift chemically significant?

    Science.gov (United States)

    Dyall, Kenneth G.; Bauschlicher, Charles W., Jr.; Schwenke, David W.; Pyykko, Pekka; Arnold, James (Technical Monitor)

    2001-01-01

    The contribution of the Lamb shift to the atomization energies of some prototype molecules, BF3, AlF3, and GaF3, is estimated by a perturbation procedure. It is found to be in the range of 3-5% of the one-electron scalar relativistic contribution to the atomization energy. The maximum absolute value is 0.2 kcal/mol for GaF3. These sample calculations indicate that the Lamb shift is probably small enough to be neglected for energetics of molecules containing light atoms if the target accuracy is 1 kcal/mol, but for higher accuracy calculations and for molecules containing heavy elements it must be considered.

  16. 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.

  17. Chemical engineering challenges and investment opportunities in sustainable energy.

    Science.gov (United States)

    Heller, Adam

    2008-01-01

    The chemical and energy industries are transforming as they adjust to the new era of high-priced petroleum and severe global warming. As a result of the transformation, engineering challenges and investment opportunities abound. Rapid evolution and fast growth are expected in cathode and anode materials as well as polymeric electrolytes for vehicular batteries and in high-performance polymer-ceramic composites for wind turbines, fuel-efficient aircraft, and lighter and safer cars. Unique process-engineering opportunities exist in sand-oil, coal, and possibly also shale liquefaction to produce transportation fuel; and also in genetic engineering of photosynthesizing plants and other organisms for their processing into high-performance biodegradable polymers and high-value-added environmentally friendly chemicals. Also, research on the feasibility of mitigation of global warming through enhancement of CO(2) uptake by the southern oceans by fertilization with trace amounts of iron is progressing. Because chemical engineers are uniquely well trained in mathematical modeling of mass transport, flow, and mixing, and also in cost analysis, they are likely to join the oceanographers and marine biologists in this important endeavor.

  18. Energy and environment efficiency analysis based on an improved environment DEA cross-model: Case study of complex chemical processes

    International Nuclear Information System (INIS)

    Geng, ZhiQiang; Dong, JunGen; Han, YongMing; Zhu, QunXiong

    2017-01-01

    Highlights: •An improved environment DEA cross-model method is proposed. •Energy and environment efficiency analysis framework of complex chemical processes is obtained. •This proposed method is efficient in energy-saving and emission reduction of complex chemical processes. -- Abstract: The complex chemical process is a high pollution and high energy consumption industrial process. Therefore, it is very important to analyze and evaluate the energy and environment efficiency of the complex chemical process. Data Envelopment Analysis (DEA) is used to evaluate the relative effectiveness of decision-making units (DMUs). However, the traditional DEA method usually cannot genuinely distinguish the effective and inefficient DMU due to its extreme or unreasonable weight distribution of input and output variables. Therefore, this paper proposes an energy and environment efficiency analysis method based on an improved environment DEA cross-model (DEACM) method. The inputs of the complex chemical process are divided into energy and non-energy inputs. Meanwhile, the outputs are divided into desirable and undesirable outputs. And then the energy and environment performance index (EEPI) based on the cross evaluation is used to represent the overall performance of each DMU. Moreover, the improvement direction of energy-saving and carbon emission reduction of each inefficiency DMU is quantitatively obtained based on the self-evaluation model of the improved environment DEACM. The results show that the improved environment DEACM method has a better effective discrimination than the original DEA method by analyzing the energy and environment efficiency of the ethylene production process in complex chemical processes, and it can obtain the potential of energy-saving and carbon emission reduction of ethylene plants, especially the improvement direction of inefficient DMUs to improve energy efficiency and reduce carbon emission.

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

    International Nuclear Information System (INIS)

    Gras, Nuri; Munoz, Luis; Cortes, Eduardo

    2001-01-01

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

    OpenAIRE

    Floran Pierre; Giana Almeida; José Otavio Brito; Patrick Perré

    2011-01-01

    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 degrees 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 los...

  1. 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.

  2. Binding energies and chemical shifts of least bound core electron excitations in cubic Asub(N)Bsub(8-N) semiconductors

    International Nuclear Information System (INIS)

    Bechstedt, F.; Enderlein, R.; Wischnewski, R.

    1981-01-01

    Core electron binding energies Esup(B) with respect to the vacuum level and their chemical shifts are calculated for the least bound core levels of cations and anions of cubic Asub(N)Bsub(8-N) semiconductors. Starting from the HF-binding energy of the free atom absolute values of Esup(B) are obtained by adding core level shifts and relaxation energies. Core level shifts are calculated by means of an electrostatic model with ionic and bond charges according to Phillips' bond charge model. For the calculation of relaxation energies the linear dielectric theory of electronic polarization is applied. Valence and core electrons, and diagonal and non-diagonal screening are taken into account. The theoretical results for chemical shifts of binding energies are compared with experimental values from XPS-measurements corrected by work function data. Good agreement is obtained in all cases within the error limit of about one eV. Chemical and atomic trends of core level shifts, relaxation energies, and binding energies are discussed in terms of changes of atomic and solid state parameters. Chemical shifts and relaxation energies are predicted for various ternary Asub(N)Bsub(8-N) compounds. (author)

  3. Layer-by-Layer Enabled Nanomaterials for Chemical Sensing and Energy Conversion

    Science.gov (United States)

    Paterno, Leonardo G.; Soler, Maria A. G.

    2013-06-01

    The layer-by-layer (LbL) technique is a wet chemical method for the assembly of ultrathin films, with thicknesses up to 100 nm. This method is based on the successive transfer of molecular layers to a solid substrate that is dipped into cationic and anionic solutions in an alternating fashion. The adsorption is mainly driven by electrostatic interactions so that many molecular and nanomaterial systems can be engineered under this method. Moreover, it is inexpensive, can be easily performed, and does not demand sophisticated equipment or clean rooms. The most explored use of the LbL technique is to build up molecular devices for chemical sensing and energy conversion. Both applications require ultrathin films where specific elements must be organized with high control of thickness and spatial distribution, preferably in the nanolength and mesolength scales. In chemical sensors, the LbL technique is employed to assemble specific sensoactive materials such as conjugated polymers, enzymes, and immunological elements onto appropriated electrodes. Molecular recognition events are thus transduced by the assembled sensoactive layer. In energy-conversion devices, the LbL technique can be employed to fabricate different device's parts including electrodes, active layers, and auxiliary layers. In both applications, the devices' performance can be fully modulated and improved by simply varying film thickness and molecular architecture. The present review article highlights the main features of the LbL technique and provides a brief description of different (bio)chemical sensors, solar cells, and organic light-emitting diodes enabled by the LbL approach.

  4. Tundra permafrost thaw causes significant shifts in energy partitioning

    Directory of Open Access Journals (Sweden)

    Christian Stiegler

    2016-04-01

    Full Text Available Permafrost, a key component of the arctic and global climate system, is highly sensitive to climate change. Observed and ongoing permafrost degradation influences arctic hydrology, ecology and biogeochemistry, and models predict that rapid warming is expected to significantly reduce near-surface permafrost and seasonally frozen ground during the 21st century. These changes raise concern of how permafrost thaw affects the exchange of water and energy with the atmosphere. However, associated impacts of permafrost thaw on the surface energy balance and possible feedbacks on the climate system are largely unknown. In this study, we show that in northern subarctic Sweden, permafrost thaw and related degradation of peat plateaus significantly change the surface energy balance of three peatland complexes by enhancing latent heat flux and, to less degree, also ground heat flux at the cost of sensible heat flux. This effect is valid at all radiation levels but more pronounced at higher radiation levels. The observed differences in flux partitioning mainly result from the strong coupling between soil moisture availability, vegetation composition, albedo and surface structure. Our results suggest that ongoing and predicted permafrost degradation in northern subarctic Sweden ultimately result in changes in land–atmosphere coupling due to changes in the partitioning between latent and sensible heat fluxes. This in turn has crucial implications for how predictive climate models for the Arctic are further developed.

  5. 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....

  6. XIX Mendeleev Congress on general and applied chemistry. Abstract book in 4 volumes. Volume 4. Chemistry aspects of modern energy and alternative energy resources. Chemistry of fossil and renewable hydrocarbon raw materials. Analytical chemistry: novel methods and devices for chemical research and analysis. Chemical education

    International Nuclear Information System (INIS)

    2011-01-01

    The abstracts of the XIX Mendeleev Congress on general and applied chemistry held 25-30 September 2011 in Volgograd are presented. The program includes the Congress plenary and section reports, poster presentations, symposia and round tables on key areas of chemical science and technology, and chemical education. The work of the Congress was held the following sections: 1. Fundamental problems of chemical sciences; 2. Chemistry and technology of materials, including nanomaterials; 3. Physicochemical basis of metallurgical processes; 4. Current issues of chemical production, technical risk assessment; 5. Chemical aspects of modern power and alternative energy sources; 6. Chemistry of fossil and renewable hydrocarbons; 7. Analytical chemistry: new methods and instruments for chemical research and analysis; 8. Chemical education. Volume 4 includes abstracts of oral and poster presentations and presentations of correspondent participants of the sections: Chemistry aspects of modern energy and alternative energy resources; Chemistry of fossil and renewable hydrocarbon raw materials; Analytical chemistry: novel methods and devices for chemical research and analysis; Chemical education, and author index [ru

  7. The chemical energy unit partial oxidation reactor operation simulation modeling

    Science.gov (United States)

    Mrakin, A. N.; Selivanov, A. A.; Batrakov, P. A.; Sotnikov, D. G.

    2018-01-01

    The chemical energy unit scheme for synthesis gas, electric and heat energy production which is possible to be used both for the chemical industry on-site facilities and under field conditions is represented in the paper. The partial oxidation reactor gasification process mathematical model is described and reaction products composition and temperature determining algorithm flow diagram is shown. The developed software product verification showed good convergence of the experimental values and calculations according to the other programmes: the temperature determining relative discrepancy amounted from 4 to 5 %, while the absolute composition discrepancy ranged from 1 to 3%. The synthesis gas composition was found out practically not to depend on the supplied into the partial oxidation reactor (POR) water vapour enthalpy and compressor air pressure increase ratio. Moreover, air consumption coefficient α increase from 0.7 to 0.9 was found out to decrease synthesis gas target components (carbon and hydrogen oxides) specific yield by nearly 2 times and synthesis gas target components required ratio was revealed to be seen in the water vapour specific consumption area (from 5 to 6 kg/kg of fuel).

  8. Chemical modifications of polymer films induced by high energy heavy ions

    International Nuclear Information System (INIS)

    Zhu Zhiyong; Sun Youmei; Liu Changlong; Liu Jie; Jin Yunfan

    2002-01-01

    Polymer films including polyethylene terephthalate (PET), polystyrene (PS) and polycarbonate (PC) were irradiated at room temperature with ions of 35 MeV/u 40 Ar, 25 MeV/u 84 Kr, 15.1 MeV/u 136 Xe and 11.4 MeV/u 238 U to fluences ranging from 9x10 9 to 5.5x10 12 ions/cm 2 . The radiation-induced chemical changes of the materials were investigated by Fourier-transform infrared (FTIR) and ultraviolet/visible spectroscopies. It is found that the absorbance in the ultraviolet and visible range induced by all irradiations follows a linear relationship with fluence. The radiation-induced absorbance normalized to one particle increases slowly with increasing of electronic energy loss below about 8 keV/nm followed by a sharp increase up to about 15 keV/nm above which saturation is reached. FTIR measurements reveal that the materials suffer serious degradation through bond breaking. The absorbance of the typical infrared bands decays exponentially with increase of ion fluence and the bond-disruption cross-section shows a sigmoid variation with electronic energy loss. In PET loss of crystallinity is attributed to the configuration transformation of the ethylene glycol residue from trans into the gauche. Alkyne end groups are induced in all the materials above certain electronic energy loss threshold, which is found to be about 0.8 keV/nm for PS and 0.4 keV/nm for PC. The production cross-section of alkyne end group increases with increasing of electronic energy loss and shows saturation at high electronic energy loss values. It is concluded that not only the physical processes but also the chemical processes of the energy deposition determine the modification of polymer

  9. Investigation of the influence of physical and chemical properties of biodiesel in the fuel economy, energy and environmental performance of motor diesel

    Directory of Open Access Journals (Sweden)

    Korpach А.

    2016-08-01

    Full Text Available Due to exhaustion of world energy reserves and significant environmental pollution by harmful substances, current research aimed at determining the effectiveness of alternative fuels. In the article compare two samples of biodiesel and studied their physical and chemical properties accordance with International Standard. Effect of different samples of biodiesel in fuel economy, energy and environmental performance automotive diesel determined by the bench tests of 4CH11,0/12.5 (D-241 diesel. The difference between physical and chemical properties of two biodiesel samples influenced to the fuel efficiency and environmental performance of the diesel. Operation on biodiesel with higher density and kinematic viscosity provide increases of maximum power and torque and increase fuel consumption. It also increases the concentration of nitrogen oxides in exhaust gases and it opacity. The results allow evaluate how the deviation of physical and chemical properties of biodiesel could affect the operational performance of the engine.

  10. Chemical ecology of insect-plant interactions: ecological significance of plant secondary metabolites.

    Science.gov (United States)

    Nishida, Ritsuo

    2014-01-01

    Plants produce a diverse array of secondary metabolites as chemical barriers against herbivores. Many phytophagous insects are highly adapted to these allelochemicals and use such unique substances as the specific host-finding cues, defensive substances of their own, and even as sex pheromones or their precursors by selectively sensing, incorporating, and/or processing these phytochemicals. Insects also serve as pollinators often effectively guided by specific floral fragrances. This review demonstrates the ecological significance of such plant secondary metabolites in the highly diverse interactions between insects and plants.

  11. Relativistic total energy and chemical potential of heavy atoms and positive ions

    International Nuclear Information System (INIS)

    Hill, S.H.; Grout, P.J.; March, N.H.

    1984-01-01

    The relativistic Thomas-Fermi theory, with a finite nucleus, is used to study the variation of the chemical potential μ with atomic number Z and number of electrons N (N <= Z). The difference between the total energy of positive ions and that of the corresponding neutral atom has been obtained. The scaling predictions are confirmed by numerical calculations. The first principles calculation of the relativistic Thomas-Fermi total energy of neutral atoms is also studied. (author)

  12. Chemical Abundance Measurements of Ultra-Faint Dwarf Galaxies Discovered by the Dark Energy Survey

    Science.gov (United States)

    Nagasawa, Daniel; Marshall, Jennifer L.; Simon, Joshua D.; Hansen, Terese; Li, Ting; Bernstein, Rebecca; Balbinot, Eduardo; Drlica-Wagner, Alex; Pace, Andrew; Strigari, Louis; Pellegrino, Craig; DePoy, Darren L.; Suntzeff, Nicholas; Bechtol, Keith; Dark Energy Suvey

    2018-01-01

    We present chemical abundance analysis results derived from high-resolution spectroscopy of ultra-faint dwarfs discovered by the Dark Energy Survey. Ultra-faint dwarf galaxies preserve a fossil record of the chemical abundance patterns imprinted by the first stars in the Universe. High-resolution spectroscopic observations of member stars in several recently discovered Milky Way satellites reveal a range of abundance patterns among ultra-faint dwarfs suggesting that star formation processes in the early Universe were quite diverse. The chemical content provides a glimpse not only of the varied nucleosynthetic processes and chemical history of the dwarfs themselves, but also the environment in which they were formed. We present the chemical abundance analysis of these objects and discuss possible explanations for the observed abundance patterns.

  13. 77 FR 21065 - Certain High Production Volume Chemicals; Test Rule and Significant New Use Rule; Fourth Group of...

    Science.gov (United States)

    2012-04-09

    ... 2070-AJ66 Certain High Production Volume Chemicals; Test Rule and Significant New Use Rule; Fourth... an opportunity to comment on a proposed test rule for 23 high production volume (HPV) chemical... necessary, to prohibit or limit that activity before it occurs. The opportunity to present oral comment was...

  14. Chemical freeze-out study in proton-proton collisions at RHIC and LHC energies

    International Nuclear Information System (INIS)

    Das, Sabita; Mishra, Debadeepti; Mohanty, Bedangadas; Chatterjee, Sandeep

    2016-01-01

    Particle multiplicities measured at Relativistic Heavy Ion Collider (RHIC) and Large Hadron Collider (LHC) facilities can be used to understand the chemical freeze-out dynamics. At chemical freeze-out (CFO), inelastic collisions cease and the freeze-out parameters can be determined using measured particle multiplicities within the framework of a statistical model. The statistical model has proven to be quite successful in describing the particle production from elementary p-p and e"+e"- collisions up to heavy-ion collisions. It helps to do a systematic study of the centrality and energy dependence of freeze-out parameters in heavy-ion collisions from lower SPS to higher LHC energies. The new data at LHC along with the RHIC data can be used to do such a systematic study in proton-proton collisions

  15. Hofmeister effect on the interfacial free energy of aliphatic and aromatic surfaces studied by chemical force microscopy.

    Science.gov (United States)

    Patete, Jonathan; Petrofsky, John M; Stepan, Jeffery; Waheed, Abdul; Serafin, Joseph M

    2009-01-15

    This work describes chemical force microscopy (CFM) studies of specific-ion effects on the aqueous interfacial free energy of hydrophobic monolayers. CFM measurements allow for the characterization of interfacial properties on length scales below 100 nm. The ions chosen span the range of the Hofmeister series, from the kosmotropic Na(2)SO(4) to the chaotropic NaSCN. The salt concentrations used are typical of many laboratory processes such as protein crystallization, 2-3 M. Both aliphatic (terminal methyl) and aromatic (terminal phenyl) monolayers were examined, and rather pronounced differences were observed between the two cases. The specific-ion dependence of the aliphatic monolayer closely follows the Hofmeister series, namely the chaotropic ions lowered the interfacial free energy and the kosmotropic ions increased the interfacial free energy. However, the aromatic monolayer had significant deviations from the Hofmeister series. Possible origins for this difference are discussed.

  16. From quantum chemical formation free energies to evaporation rates

    Directory of Open Access Journals (Sweden)

    I. K. Ortega

    2012-01-01

    Full Text Available Atmospheric new particle formation is an important source of atmospheric aerosols. Large efforts have been made during the past few years to identify which molecules are behind this phenomenon, but the actual birth mechanism of the particles is not yet well known. Quantum chemical calculations have proven to be a powerful tool to gain new insights into the very first steps of particle formation. In the present study we use formation free energies calculated by quantum chemical methods to estimate the evaporation rates of species from sulfuric acid clusters containing ammonia or dimethylamine. We have found that dimethylamine forms much more stable clusters with sulphuric acid than ammonia does. On the other hand, the existence of a very deep local minimum for clusters with two sulfuric acid molecules and two dimethylamine molecules hinders their growth to larger clusters. These results indicate that other compounds may be needed to make clusters grow to larger sizes (containing more than three sulfuric acid molecules.

  17. Allocation of fossil and nuclear fuels. Heat production from chemically and physically bound energy

    International Nuclear Information System (INIS)

    Wagner, U.

    2008-01-01

    The first part of the book presents the broad field of allocation, transformation, transport and distribution of the most important energy carriers in the modern power industry. The following chapters cover solid fossil fuel, liquid fuel, gaseous fuel and nuclear fuel. The final chapters concern the heat production from chemically and physically bound energy, including elementary analysis, combustion calculations, energy balance considerations in fossil fuel fired systems, and fundamentals of nuclear physics

  18. Nuclear energy significantly reduces carbon dioxide emissions

    International Nuclear Information System (INIS)

    Koprda, V.

    2006-01-01

    This article is devoted to nuclear energy, to its acceptability, compatibility and sustainability. Nuclear energy is non-dispensable part of energy sources with vast innovation potential. The safety of nuclear energy, radioactive waste deposition, and prevention of risk from misuse of nuclear material have to be very seriously adjudged and solved. Nuclear energy is one of the ways how to decrease the contamination of atmosphere with carbon dioxide and it solves partially also the problem of global increase of temperature and climate changes. Given are the main factors responsible for the renaissance of nuclear energy. (author)

  19. The significance of energy for the economy

    International Nuclear Information System (INIS)

    Spreng, D.; Schwarz, J.

    1993-01-01

    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

  20. Quality in the chemical analysis of biological matrices by fluorescence X-ray by energy dispersive

    International Nuclear Information System (INIS)

    Sousa, Evely E. de; Paiva, Jose Daniel S. de; Franca, Elvis J. de; Almeida, Macio E.S.; Cantinha, Rebeca S.; Hazin, Clovis A.

    2013-01-01

    The aim of this study was to obtain multielement analytical curves of high analytical rigor to the analysis of biological matrices by the technique of fluorescence x-ray energy dispersive - EDXRF. Calibration curves were constructed from the reference materials IAEA 140, IAEA 155, IAEA V8, V10 to the International Atomic Energy Agency - IAEA, and SRM1515, SRM 1547, SRM 1570a, SRM 1573a, SEM 1567a, to the National Institute of Standards and Technology - NIST. After energy calibration, all samples were subjected to vacuum to the analyzes by 100 seconds for each group of chemical elements. The voltages used were respectively 15 keV for chemical elements with less than atomic number 22 and 50 keV for the others. After the construction of the curves, the analytical quality was assessed by the analysis of a portion-test of the reference material SRM 2976, also produced by NIST. Based on the number of certified reference materials used for construction of calibration curves in this work, quality analytical protocol was originated with considerable reliability for quantification of chemical elements in biological samples by EDXR

  1. 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)

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

    Science.gov (United States)

    Moo, James Guo Sheng; Pumera, Martin

    2015-01-02

    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. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. 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

  4. How to promote energy conservation in China’s chemical industry

    International Nuclear Information System (INIS)

    Lin, Boqiang; Long, Houyin

    2014-01-01

    Fossil fuel consumption in China’s chemical industry accounted for 19.7% of the total industrial fossil fuel consumption, and the industry has become the second highest energy intensive sector in the country. Therefore, it is extremely urgent and important to study the problems related to fossil fuel consumption in the industry. This paper adopts the factor decomposition and the EG co-integration methods to investigate the influencing factors of fossil energy consumption and measure the saving potential of fossil fuel. The paper concludes that the influencing factors can be divided into positive driving factors (labor productivity effect and sector scale effect) and negative driving factors (energy intensity effect and energy structure effect). Among them, labor productivity and energy intensity are the main factors affecting fossil fuel demand. The largest saving potentials of fossil fuels are predicted to be 23.3 Mtce in 2015 and 70.6 Mtce in 2020 under the middle scenario and 46.8 Mtce in 2015 and 100.5 Mtce in 2020 under the ideal scenario, respectively. Finally, this paper provides some policy implications on fossil fuel conservation. - Highlights: • Labor productivity and energy intensity are crucial driving factors. • The relationship among variables is co-integrated. • The result of the EG co-integration is the same as that of LMDI. • ECM displays the short-term fluctuation of fossil fuel consumption. • Under the scenario analysis, there is a huge energy saving potential

  5. Development of chemical profiles for U.S. Department of Energy low-level mixed wastes

    International Nuclear Information System (INIS)

    Wang, Y.Y.; Wilkins, B.D.; Meshkov, N.K.; Dolak, D.A.

    1995-01-01

    Chemical and radiological profiles of waste streams from US Department of Energy (DOE) low-level mixed wastes (LLMWs) have been developed by Argonne National Laboratory (ANL) to provide technical support information for evaluating waste management alternatives in the Office of Environmental Management Programmatic Environmental Impact Statement (EM PEIS). The chemical profiles were developed for LLMW generated from both Waste Management (WM) operations and from Environmental Restoration (ER) activities at DOE facilities. Information summarized in the 1994 DOE Mixed Waste Inventory Report (MWIR-2), the Pacific Northwest Laboratory (PNL) Automated Remedial Assessment Methodology (ARAM), and associated PNL supporting data on ER secondary waste streams that will be treated in WM treatment facilities were used as the sources for developing chemical profiles. The methodology for developing the LLMW chemical profiles is discussed, and the chemical profiles developed from data for contact-handled (CH) non-alpha LLMW are presented in this paper. The hazardous chemical composition of remote-handled (RH) LLMW and alpha LLMW follow the chemical profiles developed for CH non-alpha LLMW

  6. Energy deposition and the formation of biologically significant lesions by accelerated ions

    International Nuclear Information System (INIS)

    Kiefer, J.

    1985-01-01

    The assumption that the number of biologically significant lesions depends only on the amount of of energy absorbed in a critical cellular site is not able to explain the increase of RBE with LET and leads to large discrepancies between predicted and measured inactivation cross sections in the LET range between 20 and 200 keV.μm -1 . It has, therefore, to be concluded that not only the amount of energy absorbed but also the spatial pattern of this deposition plays a decisive role. In the model presented it is postulated that two or more energy deposition events in nanometre sites are required for the formation of biologically significant lesions. This cooperative action has to take place in very short times so that only interactions within a single particle track contribute. The mathematical treatment will be outlined and qualitatively shown that the model is able to predict RBE-LET relationships. The calculations use a track structure model based on classical collision mechanics. It is compared with existing experimental results showing good agreement at least for higher particle energies. (author)

  7. A linear solvation energy relationship model of organic chemical partitioning to dissolved organic carbon.

    Science.gov (United States)

    Kipka, Undine; Di Toro, Dominic M

    2011-09-01

    Predicting the association of contaminants with both particulate and dissolved organic matter is critical in determining the fate and bioavailability of chemicals in environmental risk assessment. To date, the association of a contaminant to particulate organic matter is considered in many multimedia transport models, but the effect of dissolved organic matter is typically ignored due to a lack of either reliable models or experimental data. The partition coefficient to dissolved organic carbon (K(DOC)) may be used to estimate the fraction of a contaminant that is associated with dissolved organic matter. Models relating K(DOC) to the octanol-water partition coefficient (K(OW)) have not been successful for many types of dissolved organic carbon in the environment. Instead, linear solvation energy relationships are proposed to model the association of chemicals with dissolved organic matter. However, more chemically diverse K(DOC) data are needed to produce a more robust model. For humic acid dissolved organic carbon, the linear solvation energy relationship predicts log K(DOC) with a root mean square error of 0.43. Copyright © 2011 SETAC.

  8. 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. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

  9. Determination of the bonding of alkyl monolayers to the Si(111) surface using chemical-shift, scanned-energy photoelectron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Terry, J.; Linford, M.R.; Wigren, C.; Cao, R.; Pianetta, P.; Chidsey, C.E. [Stanford University, Stanford, California 94309 (United States)

    1997-08-01

    The bonding of alkyl monolayers to Si(111) surfaces has been studied by conventional x-ray photoelectron spectroscopy (XPS) and chemical-shift, scanned-energy photoelectron diffraction (PED) using synchrotron radiation. Two very different wet-chemical methods have been used to prepare the alkyl monolayers: (i) olefin insertion into the H{endash}Si bond on the H{endash}Si(111) surface, and (ii) replacement of Cl on the Cl{endash}Si(111) surface by an alkyl group from an alkyllithium reagent. In both cases, XPS has revealed a C 1s signal chemically shifted to lower binding energy, which we have assigned to carbon bonded to silicon. PED has shown that both preparative methods result in carbon bonded in an atop site with the expected C{endash}Si bond length of 1.85{plus_minus}0.05{Angstrom}. Chemical-shift, scanned-energy photoelectron diffraction is a particularly valuable probe of local structure at surfaces that contain the same element in multiple, chemically distinct environments. {copyright} {ital 1997 American Institute of Physics.}

  10. Determination of the bonding of alkyl monolayers to the Si(111) surface using chemical-shift, scanned-energy photoelectron diffraction

    International Nuclear Information System (INIS)

    Terry, J.; Linford, M.R.; Wigren, C.; Cao, R.; Pianetta, P.; Chidsey, C.E.

    1997-01-01

    The bonding of alkyl monolayers to Si(111) surfaces has been studied by conventional x-ray photoelectron spectroscopy (XPS) and chemical-shift, scanned-energy photoelectron diffraction (PED) using synchrotron radiation. Two very different wet-chemical methods have been used to prepare the alkyl monolayers: (i) olefin insertion into the H endash Si bond on the H endash Si(111) surface, and (ii) replacement of Cl on the Cl endash Si(111) surface by an alkyl group from an alkyllithium reagent. In both cases, XPS has revealed a C 1s signal chemically shifted to lower binding energy, which we have assigned to carbon bonded to silicon. PED has shown that both preparative methods result in carbon bonded in an atop site with the expected C endash Si bond length of 1.85±0.05 Angstrom. Chemical-shift, scanned-energy photoelectron diffraction is a particularly valuable probe of local structure at surfaces that contain the same element in multiple, chemically distinct environments. copyright 1997 American Institute of Physics

  11. 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

    signatures, composed primarily of long-chain cuticular hydrocarbons. These signatures are colony specific and allow discrimination between nestmates and non-nestmates. Nevertheless, the mechanisms underlying detection, perception and information processing of chemical signatures are poorly understood. It has...... context, affects aggression against non-nestmates carrying the hydrocarbon profile associated with food. Individual ant workers were able to associate the non-nestmate chemical profile with food. However, conditioned ants were still aggressive when encountering a non-nestmate carrying the odour profile...

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

    Science.gov (United States)

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

    2018-04-10

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

  13. CHEMICAL COMPOSITION AND ENERGY VALUE IN THE MEAT OF THE MACEDONIAN AND OHRID TROUT

    Directory of Open Access Journals (Sweden)

    Aleksandar SAVESKI

    2017-03-01

    Full Text Available The aim of this research is to conduct a comparative analysis and to verify the quality properties of meat of the Macedonian trout (Salmo macedonicus and the Ohrid trout (Salmo letnica, from aquaculture production, bred on a fish farm under controlled conditions. In order to determine the quality of meat of the Macedonian and Ohrid trout, analyses of the chemical composition have been conducted: the amount of proteins, fat, water, minerals, as well as a determination of the energy value of the meat. The analyses have been made on samples from Macedonian and Ohrid trout, with size of consumption between 200g and 300g. By these analyses, it has been confirmed that in the meat of the Macedonian trout, the amount of water is 77.122%, 17.800% proteins, 3.333% fat and 1.667% minerals, whereas in the meat of the Ohrid trout 75.923% water, 16.783% proteins, 5.403% fat and 1.080% minerals. Though the established difference in the amount of water and fat is not significant, the differences determined in the contents of proteins and minerals are significant on a level p>0,05. The energy value of Macedonian trout meat is 435.29 KJ/100gm, i.e. and 498.49 KJ/100gm in the Ohrid trout meat.

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

    Energy Technology Data Exchange (ETDEWEB)

    Losada, B.; Blas, C. de; Garcia-Rebollar, P.; Cachaldora, P.; Mendez, J.; Ibañez, M.

    2015-07-01

    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. (Author)

  15. Conversion of chemical energy in an explosive by a magnetohydrodynamic method

    International Nuclear Information System (INIS)

    Lebedev, E.F.; Ostashev, V.E.; Svetsov, G.A.

    1983-01-01

    In this paper, the authors examine different methods for realizing the MHD method for converting chemical energy of a condensed explosive into pulsed electrical energy. It is shown that explosive MHD generators, which are compact sources of powerful pulses of electrical energy, are characterized by their relative simplicity, autonomy and maneuverability of firing and they are capable of operating in the frequency-periodic mode. A number of projects have been proposed for explosive MHD generators in the megajoule range. Practical experience has been gained in creating frequency-periodic action generators as well as autonomous setups using superconducting magnetic systems. The increase in the operational efficiency of an explosive MHD generator is primarily related to increasing the magnetic Reynolds number of the flow, which can be attained, in particular, by using different schemes for accumulating the energy of the explosion. The use of a metallic liner, which expands under the pressure of the detonation products, in an explosive MHD generator is, in the practical sense, apparently hopeless. The general information available on the parameters and properties of explosive MHD generators gives a basis for concluding that this generator is a promising source of powerful energy pulses. In a certain range of parameters, it can be an alternative to the use of conventional high-energy pulse devices

  16. 78 FR 48051 - Significant New Use Rules on Certain Chemical Substances

    Science.gov (United States)

    2013-08-07

    .... Potentially affected entities may include: Manufacturers or processors of one or more subject chemical... chemical substance. The extent to which a use changes the type or form of exposure of human beings or the... the regulatory text section of this rule. This rule includes PMN substances, P-09-198 and P-09-199...

  17. 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.

  18. Electric power and its significance as the energy for innovation and progress

    International Nuclear Information System (INIS)

    Klinger, H.; Boehmer, T.

    1999-01-01

    The significance of electric power as the essential form of energy to support innovation and progress well into the future is explained with respect to four major domains of application: 1. Innovative activities in microelectronics and semiconductor technology, for applications such as automation and computer technology, instrumentation and control technology, facility and systems management and control. 2. Energy efficiency programmes and schemes for increasing the penetration of energiy from renewable sources in the market. Example: Heat pump technology. 3. Electric power as an energy boosting innovation in industrial production processes. Examples are given from the transportation sector. (orig./CB) [de

  19. 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...

  20. A review of chemical heat pumps, thermodynamic cycles and thermal energy storage technologies for low grade heat utilisation

    International Nuclear Information System (INIS)

    Chan, C.W.; Ling-Chin, J.; Roskilly, A.P.

    2013-01-01

    A major cause of energy inefficiency is a result of the generation of waste heat and the lack of suitable technologies for cost-effective utilisation of low grade heat in particular. The market potential for surplus/waste heat from industrial processes in the UK is between 10 TWh and 40 TWh, representing a significant potential resource which has remained unexploited to date. This paper reviews selected technologies suitable for utilisation of waste heat energy, with specific focus on low grade heat, including: (i) chemical heat pumps, such as adsorption and absorption cycles for cooling and heating; (ii) thermodynamic cycles, such as the organic Rankine cycle (ORC), the supercritical Rankine cycle (SRC) and the trilateral cycle (TLC), to produce electricity, with further focus on expander and zeotropic mixtures, and (iii) thermal energy storage, including sensible and latent thermal energy storages and their corresponding media to improve the performance of low grade heat energy systems. - Highlights: ► The review of various thermal technologies for the utilisation of under exploited low grade heat. ► The analyses of the absorption and adsorption heat pumps possibly with performance enhancement additives. ► The analyses of thermal energy storage technologies (latent and sensible) for heat storage. ► The analyses of low temperature thermodynamic cycles to maximise power production.

  1. Abstracts of the 54. Canadian Chemical Engineering Conference : Energy for the Future

    International Nuclear Information System (INIS)

    2004-01-01

    The key energy challenges facing the chemical process industries were addressed at this international conference. Chemical engineering was shown to play a critical role in offering technical solutions to the challenges of climate change and pollution abatement on a global scale. The sessions addressed a variety of issues dealing with heavy oil processing and utilization, natural gas processing, reservoir engineering and biotechnology process systems. The presentations also addressed issues dealing with applied thermodynamics, new technologies, polymer engineering and other fundamental processes, including some used by the pulp and paper industry. The conference featured more than 500 presentations from around the world, including Canada, the United States, Asia and Europe. A total of 84 papers have been indexed separately for inclusion in this database

  2. Energy price slump and policy response in the coal-chemical industry district : a case study of Ordos with a system dynamics model

    OpenAIRE

    Wang, Delu; Ma, Gang; Song, Xuefeng; Liu, Yun

    2017-01-01

    We employ system dynamics method towards a coal-chemical industry district economy evolution model, using coal industry, the coal-chemical industry, their downstream industries, and the manufacture-related service industry. Moreover, we construct energy price and policy response scenarios based on Ordos’ management experience. The results show that the energy price slump had a negative impact on the overall economic development of the coal-chemical industry district, despite promoting non-res...

  3. Laser studies of chemical reaction and collision processes

    Energy Technology Data Exchange (ETDEWEB)

    Flynn, G. [Columbia Univ., New York, NY (United States)

    1993-12-01

    This work has concentrated on several interrelated projects in the area of laser photochemistry and photophysics which impinge on a variety of questions in combustion chemistry and general chemical kinetics. Infrared diode laser probes of the quenching of molecules with {open_quotes}chemically significant{close_quotes} amounts of energy in which the energy transferred to the quencher has, for the first time, been separated into its vibrational, rotational, and translational components. Probes of quantum state distributions and velocity profiles for atomic fragments produced in photodissociation reactions have been explored for iodine chloride.

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

    International Nuclear Information System (INIS)

    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

  5. Three methods to measure RH bond energies

    International Nuclear Information System (INIS)

    Berkowitz, J.; Ellison, G.B.; Gutman, D.

    1993-01-01

    In this paper the authors compare and contrast three powerful methods for experimentally measuring bond energies in polyatomic molecules. The methods are: radical kinetics; gas phase acidity cycles; and photoionization mass spectroscopy. The knowledge of the values of bond energies are a basic piece of information to a chemist. Chemical reactions involve the making and breaking of chemical bonds. It has been shown that comparable bonds in polyatomic molecules, compared to the same bonds in radicals, can be significantly different. These bond energies can be measured in terms of bond dissociation energies

  6. Biomass as feedstock for chemicals and energy on the threshold of the 21st. century

    International Nuclear Information System (INIS)

    Cunningham, R.E.

    1993-01-01

    A historical background is first given in which the role of biomass is described in relation to its competition with fossil biomass for the production of chemicals and energy. Occurrences of reserves from both sources are then compared. Petrochemical and biomass routes are then analyzed in terms of their relative competitive advantages. The oleochemical and biotechnology cases are analyzed in more detail as examples of biomass utilization. Latin American examples of industrial manufacturing of biomass derived chemicals are then provided. Alcochemicals are analyzed in detail as well as essential oils and other chemicals. Finally, references are made to regional Latin American initiatives regarding biomass and the objectives, organization and nature of the initiative are presented

  7. Modeling the effects of cohesive energy for single particle on the material removal in chemical mechanical polishing at atomic scale

    International Nuclear Information System (INIS)

    Wang Yongguang; Zhao Yongwu; An Wei; Wang Jun

    2007-01-01

    This paper proposes a novel mathematical model for chemical mechanical polishing (CMP) based on interface solid physical and chemical theory in addition to energy equilibrium knowledge. And the effects of oxidation concentration and particle size on the material removal in CMP are investigated. It is shown that the mechanical energy and removal cohesive energy couple with the particle size, and being a cause of the non-linear size-removal rate relation. Furthermore, it also shows a nonlinear dependence of removal rate on removal cohesive energy. The model predictions are in good qualitative agreement with the published experimental data. The current study provides an important starting point for delineating the micro-removal mechanism in the CMP process at atomic scale

  8. Chemical absorption of acoustic energy due to an eddy in the western Bay of Bengal

    Digital Repository Service at National Institute of Oceanography (India)

    PrasannaKumar, S.; Navelkar, G.S.; Murty, T.V.R.; Somayajulu, Y.K.; Murty, C.S.

    Acoustic energy losses due to chemical absorption, within the western Bay of Bengal, in the presence of a subsurface meso-scale cold core eddy has been analysed. These estimates, for two different frequencies - 400 Hz and 10 kHz, find applications...

  9. 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.

  10. Woody biomass: Niche position as a source of sustainable renewable chemicals and energy and kinetics of hot-water extraction/hydrolysis.

    Science.gov (United States)

    Liu, Shijie

    2010-01-01

    The conversion of biomass to chemicals and energy is imperative to sustaining our way of life as known to us today. Fossil chemical and energy sources are traditionally regarded as wastes from a distant past. Petroleum, natural gas, and coal are not being regenerated in a sustainable manner. However, biomass sources such as algae, grasses, bushes and forests are continuously being replenished. Woody biomass represents the most abundant and available biomass source. Woody biomass is a reliably sustainable source of chemicals and energy that could be replenished at a rate consistent with our needs. The biorefinery is a concept describing the collection of processes used to convert biomass to chemicals and energy. Woody biomass presents more challenges than cereal grains for conversion to platform chemicals due to its stereochemical structures. Woody biomass can be thought of as comprised of at least four components: extractives, hemicellulose, lignin and cellulose. Each of these four components has a different degree of resistance to chemical, thermal and biological degradation. The biorefinery concept proposed at ESF (State University of New York - College of Environmental Science and Forestry) aims at incremental sequential deconstruction, fractionation/conversion of woody biomass to achieve efficient separation of major components. The emphasis of this work is on the kinetics of hot-water extraction, filling the gap in the fundamental understanding, linking engineering developments, and completing the first step in the biorefinery processes. This first step removes extractives and hemicellulose fractions from woody biomass. While extractives and hemicellulose are largely removed in the extraction liquor, cellulose and lignin largely remain in the residual woody structure. Xylo-oligomers and acetic acid in the extract are the major components having the greatest potential value for development. Extraction/hydrolysis involves at least 16 general reactions that could

  11. 78 FR 12684 - Proposed Significant New Use Rules on Certain Chemical Substances

    Science.gov (United States)

    2013-02-25

    ..., importers, or processors of one or more subject chemical substances (NAICS codes 325 and 324110), e.g... a use changes the type or form of exposure of human beings or the environment to a chemical... assigned in the regulatory text section of this proposed rule. This proposed rule includes 14 PMN...

  12. Energy density enhancement of chemical heat storage material for magnesium oxide/water chemical heat pump

    International Nuclear Information System (INIS)

    Myagmarjav, Odtsetseg; Zamengo, Massimiliano; Ryu, Junichi; Kato, Yukitaka

    2015-01-01

    A novel candidate chemical heat storage material having higher reaction performance and higher thermal conductivity used for magnesium oxide/water chemical heat pump was developed in this study. The material, called EML, was obtained by mixing pure Mg(OH)_2 with expanded graphite (EG) and lithium bromide (LiBr), which offer higher thermal conductivity and reactivity, respectively. With the aim to achieve a high energy density, the EML composite was compressed into figure of the EML tablet (ϕ7.1 mm × thickness 3.5 mm). The compression force did not degrade the reaction conversion, and furthermore it enabled us to achieve best heat storage and output performances. The EML tablet could store heat of 815.4 MJ m_t_a_b"−"3 at 300 °C within 120 min, which corresponded to almost 4.4 times higher the heat output of the EML composite, and therefore, the EML tablet is the solution which releases more heat in a shorter time. A relatively larger volumetric gross heat output was also recorded for the EML tablet, which was greater than one attained for the EML composite at certain temperatures. As a consequence, it is expected that the EML tablet could respond more quickly to sudden demand of heat from users. It was concluded that the EML tablet demonstrated superior performances. - Highlights: • A new chemical heat storage material, donated as EML, was developed. • EML composite made from pure Mg(OH)_2, expanded graphite and lithium bromide. • EML tablet was demonstrated by compressing the EML composite. • Compression force did not degrade the conversion in dehydration and hydration. • EML tablet demonstrated superior heat storage and output performances.

  13. 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.

  14. Nano-patterning of perpendicular magnetic recording media by low-energy implantation of chemically reactive ions

    International Nuclear Information System (INIS)

    Martin-Gonzalez, M.S.; Briones, F.; Garcia-Martin, J.M.; Montserrat, J.; Vila, L.; Faini, G.; Testa, A.M.; Fiorani, D.; Rohrmann, H.

    2010-01-01

    Magnetic nano-patterning of perpendicular hard disk media with perpendicular anisotropy, but preserving disk surface planarity, is presented here. Reactive ion implantation is used to locally modify the chemical composition (hence the magnetization and magnetic anisotropy) of the Co/Pd multilayer in irradiated areas. The procedure involves low energy, chemically reactive ion irradiation through a resist mask. Among N, P and As ions, P are shown to be most adequate to obtain optimum bit density and topography flatness for industrial Co/Pd multilayer media. The effect of this ion contributes to isolate perpendicular bits by destroying both anisotropy and magnetic exchange in the irradiated areas. Low ion fluences are effective due to the stabilization of atomic displacement levels by the chemical effect of covalent impurities.

  15. Research in the chemical sciences. Summaries of FY 1995

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-09-01

    This summary book is published annually to provide information on research supported by the Department of Energy`s Division of Chemical Sciences, which is one of four Divisions of the Office of Basic Energy Sciences in the Office of Energy Research. These summaries provide the scientific and technical public, as well as the legislative and executive branches of the Government, information, either generally or in some depth, about the Chemical Sciences program. Scientists interested in proposing research for support will find the publication useful for gauging the scope of the present basic research program and it`s relationship to their interests. Proposals that expand this scope may also be considered or directed to more appropriate offices. The primary goal of the research summarized here is to add significantly to the knowledge base in which existing and future efficient and safe energy technologies can evolve. As a result, scientific excellence is a major criterion applied in the selection of research supported by the Division of Chemical Sciences, but another important consideration is emphasis on science that is advancing in ways that will produce new information related to energy.

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

    International Nuclear Information System (INIS)

    Barrow, A.T.W.; Toffolon-Masclet, C.; Almer, J.; Daymond, M.R.

    2013-01-01

    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 −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

  17. Effect of biomass feedstock chemical and physical properties on energy conversion processes: Volume 1, Overview

    Energy Technology Data Exchange (ETDEWEB)

    Butner, R.S.; Elliott, D.C.; Sealock, L.J. Jr.; Pyne, J.W.

    1988-12-01

    Pacific Northwest Laboratory has completed an initial investigation of the effects of physical and chemical properties of biomass feedstocks relative to their performance in biomass energy conversion systems. Both biochemical conversion routes (anaerobic digestion and ethanol fermentation) and thermochemical routes (combustion, pyrolysis, and gasification) were included in the study. Related processes including chemical and physical pretreatment to improve digestibility, and size and density modification processes such as milling and pelletizing were also examined. This overview report provides background and discussion of feedstock and conversion relationships, along with recommendations for future research. The recommendations include (1) coordinate production and conversion research programs; (2) quantify the relationship between feedstock properties and conversion priorities; (3) develop a common framework for evaluating and characterizing biomass feedstocks; (4) include conversion effects as part of the criteria for selecting feedstock breeding programs; and (5) continue emphasis on multiple feedstock/conversion options for biomass energy systems. 9 refs., 3 figs., 2 tabs.

  18. New life for the chemical industry: the significance of coal gasification. [Japan

    Energy Technology Data Exchange (ETDEWEB)

    Shimizu, Y

    1985-01-01

    The current status of the cement, petrochemical and chemical divisions of Ube Industries, Ltd. is outlined. Accounts are given of the outlook for the petrochemical division and how it is coping with the present situation; of how the application of new coal gasification technology and the resulting maintenance of the competitive power of the company's ammonia on international markets has revived the chemical division; and of how the industrial gases division is benefiting from a 20% cut in gasification costs, obtained using the new gasification process. Other topics mentioned include the increasing specialization of the chemical division; the accelerated pace of development resulting from joint efforts by industry, government and the universities; the eradication of the adverse effects of a hierarchical organizational structure; and pioneering technology development where the emphasis is not on self-completion.

  19. 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.

  20. 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.

  1. Room temperature chemical synthesis of highly oriented PbSe nanotubes based on negative free energy of formation

    International Nuclear Information System (INIS)

    Sankapal, B.R.; Ladhe, R.D.; Salunkhe, D.B.; Baviskar, P.K.; Gupta, V.; Chand, S.

    2011-01-01

    Highlights: → Simple, inexpensive and room temperature chemical synthesis route. → Highly oriented PbSe nanotubes from Cd(OH) 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 2+ with Pb 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.

  2. The correlationship between the metabolizable energy content, chemical composition and color score in different sources of corn DDGS.

    Science.gov (United States)

    Jie, Yong-Z; Zhang, Jian-Y; Zhao, Li-H; Ma, Qiu-G; Ji, Cheng

    2013-09-25

    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. 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 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 sources energy digestibility and metabolizable energy content.

  3. 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...

  4. Impact of innovations on future energy supply - chemical enhanced oil recovery (CEOR).

    Science.gov (United States)

    Bittner, Christian

    2013-01-01

    The International Energy Agency (IEA) expects an increase of global energy demand by one-third during next 20 years together with a change in the global energy mix. A key-influencing factor is a strong expected increase in oil and gas production in the United States driven by 'new' technologies such as hydraulic fracturing. Chemical enhanced oil recovery (CEOR) is another strong growing technology with the potential of a step change innovation, which will help to secure future oil supply by turning resources into reserves. While conventional production methods give access to on average only one-third of original oil in place, the use of surfactants and polymers allows for recovery of up to another third of this oil. In the case of polymer flooding with poly acrylamide, the number of full field implementations has increased in recent years. In the meantime new polymers have been developed to cover previously unmet needs - such polymers can be applied in fields of high salinity and high temperature. Use of surfactants is in an earlier stage, but pilot tests show promising results.

  5. 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

  6. Chemical Potentials of Quarks Extracted from Particle Transverse Momentum Distributions in Heavy Ion Collisions at RHIC Energies

    International Nuclear Information System (INIS)

    Zhao, Hong; Liu, Fu-Hu

    2014-01-01

    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. Electrocatalytic upgrading of biomass pyrolysis oils to chemical and fuel

    Science.gov (United States)

    Lam, Chun Ho

    The present project's aim is to liquefy biomass through fast pyrolysis and then upgrade the resulting "bio-oil" to renewable fuels and chemicals by intensifying its energy content using electricity. This choice reflects three points: (a) Liquid hydrocarbons are and will long be the most practical fuels and chemical feedstocks because of their energy density (both mass and volume basis), their stability and relative ease of handling, and the well-established infrastructure for their processing, distribution and use; (b) In the U.S., the total carbon content of annually harvestable, non-food biomass is significantly less than that in a year's petroleum usage, so retention of plant-captured carbon is a priority; and (c) Modern technologies for conversion of sunlight into usable energy forms---specifically, electrical power---are already an order of magnitude more efficient than plants are at storing solar energy in chemical form. Biomass fast pyrolysis (BFP) generates flammable gases, char, and "bio-oil", a viscous, corrosive, and highly oxygenated liquid consisting of large amounts of acetic acid and water together with hundreds of other organic compounds. With essentially the same energy density as biomass and a tendency to polymerize, this material cannot practically be stored or transported long distances. It must be upgraded by dehydration, deoxygenation, and hydrogenation to make it both chemically and energetically compatible with modern vehicles and fuels. Thus, this project seeks to develop low cost, general, scalable, robust electrocatalytic methods for reduction of bio-oil into fuels and chemicals.

  8. Low-Energy Electron Scattering Data for Chemical Plasma Treatment of Biomass

    International Nuclear Information System (INIS)

    Lima, Marco A.P.

    2014-01-01

    Full text: Replacing fossil fuels with biofuels from renewable sources is an important goal for reducing greenhouse gas emissions. Many countries are already using few percent of ethanol in the gasoline and few of them, with more aggressive programs, have developed flex fuel engines that can run with any mixture of gasoline and ethanol. An important point is how to produce ethanol in a sustainable way and with which technology? Biomass is a good candidate since it has cellulose and hemicellulose as source of sugars. In order to liberate these sugars for fermentation, it is important to learn how to separate the main components. Chemical routes (acid treatment) and biological routes (enzymatic hydrolysis) are combined and used for these purposes. Atmospheric plasmas can be useful for attacking the biomass in a controlled manner and low-energy electrons may have an important role in the process. Recently we have been studying the interaction of electrons with lignin subunits (phenol, guaiacol, p-coumaryl alcohol), cellulose components, β-D-glucose and cellobiose (β(1 - 4) linked glucose dimer) and hemicellulose components (β-D-xylose). We also obtained results for the amylose subunits α-D-glucose and maltose (α(1 - 4) linked glucose dimer). Altogether, the resonance spectra of lignin, cellulose and hemicellulose components establish a physical–chemical basis for electron-induced biomass pretreatment that could be applied to biofuel production. In my talk I will give a progress report on this matter. We will also discuss microsolvation effects on the electron-phenol scattering process and present our strategy to study molecular dissociation through electronic excitation of low energy triplet states. (author)

  9. 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

    2012-10-01

    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 R(2) = 0.82, RSD = 172.02, penergy 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.

  10. Bio-based targeted chemical engineering education : Role and impact of bio-based energy and resourcedevelopment projects

    NARCIS (Netherlands)

    N.M. Márquez Luzardoa; Dr. ir. Jan Venselaar

    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

  11. On the topography of sputtered or chemically etched crystals: surface energies minimised

    International Nuclear Information System (INIS)

    Chadderton, L.T.; Cope, J.O.

    1984-01-01

    The sputtering of single or polycrystalline metal surfaces by heavy ions gives rise to the characteristic topographical features of etch pits, ripples, and cones (pyramids). For cones and pyramids, in particular, no completely satisfactory explanation exists as to the origin of the basic geometry. Scanning electron micrographs are shown. It is proposed that for topographical features of both chemical etch and ion beam origin on single crystal surfaces, the presence of facets on cones and pyramids in particular, is due to the minimization of surface energy. (U.K.)

  12. 77 FR 66149 - Significant New Use Rules on Certain Chemical Substances

    Science.gov (United States)

    2012-11-02

    ... 835.5045 or OECD Test Guideline 302A); a UV/visible absorption test (OPPTS Test Guideline 830.7050... precipitate used to produce phosphors. Based on test data on analogous chemical substances, EPA identified...

  13. Applications of chemical sensors in spent fuel reprocessing and waste management

    International Nuclear Information System (INIS)

    Achuthan, P.V.

    2012-01-01

    Environmental friendly power generation is essential to preserve the quality of life for the future generations. For more than fifty years, nuclear energy has proven its potential as an economically and commercially viable alternative to conventional energy. More over it is a clean source of energy with minimum green house effect. Recent data on climate changes have stressed the need for more caution on atmospheric discharges, hence a revival of interest in nuclear energy is in the offing. The entire world is committed to protect the atmosphere from polluting agents. Even nuclear power plants and the fuel cycle facilities are looking forward to reduce the already low gaseous emissions further and also to develop ways and means of controlling the impact of the small but significant radiotoxicity of the wastes generated in the nuclear fuel cycle. Spent fuel reprocessing and associated waste management, an integral part of the nuclear fuel cycle, employs chemical processes for the recovery of fuel value and for the conditioning of the reprocessed waste. In this respect they can be classified as a chemical plant dealing with radioactive materials. Hence it is essential to keep the gaseous, liquid and solid discharges at the lowest possible levels to comply with the regulations of discharges stipulated by the regulatory authorities. Elaborate cleaning and detection systems are needed for effective control of these discharges from both radioactive and chemical contamination point of view. Even though radiation detectors, which are non specific to the analytes, are the major tools for these controls, analyte specific chemical sensors can play a vital role in controlling the chemical vapours/gases generated during processing. The presentation will cover the major areas where chemical sensors play a significant role in this industry. (author)

  14. 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

  15. The Interconversion of Electrical and Chemical Energy: The Electrolysis of Water and the Hydrogen-Oxygen Fuel Cell.

    Science.gov (United States)

    Roffia, Sergio; And Others

    1988-01-01

    Discusses some of the drawbacks of using a demonstration of the electrolysis of water to illustrate the interconversion between electrical and chemical energy. Illustrates a simple apparatus allowing demonstration of this concept while overcoming these drawbacks. (CW)

  16. Revisiting the chemical reactivity indices as the state function derivatives. The role of classical chemical hardness

    Energy Technology Data Exchange (ETDEWEB)

    Malek, Ali; Balawender, Robert, E-mail: rbalawender@ichf.edu.pl [Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, PL-01-224 Warsaw (Poland)

    2015-02-07

    The chemical reactivity indices as the equilibrium state-function derivatives are revisited. They are obtained in terms of the central moments (fluctuation formulas). To analyze the role of the chemical hardness introduced by Pearson [J. Am. Chem. Soc. 105, 7512 (1983)], the relations between the derivatives up to the third-order and the central moments are obtained. As shown, the chemical hardness and the chemical potential are really the principal indices of the chemical reactivity theory. It is clear from the results presented here that the chemical hardness is not the derivative of the Mulliken chemical potential (this means also not the second derivative of the energy at zero-temperature limit). The conventional quadratic dependence of energy, observed at finite temperature, reduces to linear dependence on the electron number at zero-temperature limit. The chemical hardness plays a double role in the admixture of ionic states to the reference neutral state energy: it determines the amplitude of the admixture and regulates the damping of its thermal factor.

  17. Revisiting the chemical reactivity indices as the state function derivatives. The role of classical chemical hardness

    International Nuclear Information System (INIS)

    Malek, Ali; Balawender, Robert

    2015-01-01

    The chemical reactivity indices as the equilibrium state-function derivatives are revisited. They are obtained in terms of the central moments (fluctuation formulas). To analyze the role of the chemical hardness introduced by Pearson [J. Am. Chem. Soc. 105, 7512 (1983)], the relations between the derivatives up to the third-order and the central moments are obtained. As shown, the chemical hardness and the chemical potential are really the principal indices of the chemical reactivity theory. It is clear from the results presented here that the chemical hardness is not the derivative of the Mulliken chemical potential (this means also not the second derivative of the energy at zero-temperature limit). The conventional quadratic dependence of energy, observed at finite temperature, reduces to linear dependence on the electron number at zero-temperature limit. The chemical hardness plays a double role in the admixture of ionic states to the reference neutral state energy: it determines the amplitude of the admixture and regulates the damping of its thermal factor

  18. Noninvasive measurements of cardiac high-energy phosphate metabolites in dilated cardiomyopathy by using 31P spectroscopic chemical shift imaging

    International Nuclear Information System (INIS)

    Hansch, A.; Rzanny, R.; Heyne, J.-P.; Reichenbach, J.R.; Kaiser, W.A.; Leder, U.

    2005-01-01

    Dilated cardiomyopathy (DCM) is accompanied by an impaired cardiac energy metabolism. The aim of this study was to investigate metabolic ratios in patients with DCM compared to controls by using spectroscopic two-dimensional chemical shift imaging (2D-CSI). Twenty volunteers and 15 patients with severe symptoms (left ventricular ejection fraction, LVEF 30%) of DCM were investigated. Cardiac 31 P MR 2D-CSI measurements (voxel size: 40 x 40 x 100 mm 3 ) were performed with a 1.5 T whole-body scanner. Measurement time ranged from 15 min to 30 min. Peak areas and ratios of different metabolites were evaluated, including high-energy phosphates (PCr, ATP), 2,3-diphosphoglycerate (2,3-DPG) and phosphodiesters (PDE). In addition, we evaluated how PCr/ATP ratios correlate with LVEF as an established prognostic factor of heart failure. The PCr/γ-ATP ratio was significantly decreased in patients with moderate and severe DCM and showed a linear correlation with reduced LVEFs. PDE/ATP ratios were significantly increased only in patients with severe DCM as compared to volunteers. Applying 31 P MRS with commonly-available 2D-CSI sequences is a valuable technique to evaluate DCM by determining PCr/ATP ratios noninvasively. In addition to reduced PCr/ATP ratios observed in patients suffering from DCM, significantly-increased PDE/ATP ratios were found in patients with severe DCM. (orig.)

  19. Economic feasibility of an energy efficiency project for a steam distribution system in a chemical industry

    Directory of Open Access Journals (Sweden)

    Flavia Melo Menezes

    2017-12-01

    Full Text Available The burning of fossil fuels majorly contributes to the increase in global warming, and it represents 93% of greenhouse gases emissions in the chemical industry. Most of the energy demand in this sector is associated with steam systems, where 1/3 of the energy efficiency opportunities are located in its distribution system. However, most of the literature focuses on the design of new systems. Those that deal with existing systems, not always use simple and available methods. Furthermore, they address energy losses of steam systems only due to thermal insulation, ignoring those due to leakages of traps. Given this context, the purpose of this paper is to determine the economic feasibility of an energy efficiency project for a steam distribution system in a chemical industry, located in the metropolitan region of Salvador, Brazil. First, the energy lost in the steam distribution system through heat insulation and steam traps was estimated by applying thermodynamic principles, and technic consulting, respectively. Then, investments were estimated using commercial prices for new thermal insulation and steam traps. Finally, an economic evaluation of the improvement project was made, through the construction of a cash flow, and calculation of economic indicators: payback time, net present value (NPV, and internal rate of return (IRR. Economic indicators showed that the project is economically viable. The NPV and IRR reached approximately 5 million reais, and 66% per year, respectively. Additionally, this project also had social and environmental benefits, such as a reduction in greenhouse gases emissions, and increased local water availability.

  20. New conception in the theory of chemical bonding; the role of core and valence atomic orbitals in formation of chemical bonds

    International Nuclear Information System (INIS)

    Kostikova, G.P.; Kostikov, Yu.P.; Korol'kov, D.V.

    1986-01-01

    An analysis of x-ray photoelectron spectra leads to a simple and consistent conception in the theory of chemical bonding, which satisfies (unlike the simple MO-LCAO theory) the virial theorem and defines the roles of the core and valence atomic orbitals in the formation of chemical bonds. Its essence is clear from the foregoing: the exothermic effects of the formation of complexes are caused by the lowering of the energies of the core levels of the central atoms with simultaneous small changes in the energies of the core levels of the ligands despite the significant destabilization of the delocalized valence MO's in comparison to the orbital energies of the corresponding free atoms. In order to confirm these ideas, they recorded the x-ray photoelectron spectra of the valence region and the inner levels of single-crystal silicon carbide, silicon, and graphite

  1. Energy storage

    Energy Technology Data Exchange (ETDEWEB)

    1962-07-01

    The papers on energy storage problems, given to the United Nations Conference on New Sources of Energy, Rome, 1961, are reviewed. Many aspects of the subject are discussed: comparisons between the costs of storing energy in batteries and in fuel cells; the use, efficiency and expected improvement of fuel cells; the principles involved in the chemical conversion of solar energy to chemical energy; the use of metal hydride fuel cells; the chemical conversion and storage of concentrated solar energy for which the solar furnace is used for photochemical reactions. Finally, the general costs of storing energy in any form and delivering it are analyzed with particular reference to storage batteries and fuel cells.

  2. Radiation Dose Measurement Using Chemical Dosimeters

    International Nuclear Information System (INIS)

    Lee, Min Sun; Kim, Eun Hee; Kim, Yu Ri; Han, Bum Soo

    2010-01-01

    The radiation dose can be estimated in various ways. Dose estimates can be obtained by either experiment or theoretical analysis. In experiments, radiation impact is assessed by measuring any change caused by energy deposition to the exposed matter, in terms of energy state (physical change), chemical production (chemical change) or biological abnormality (biological change). The chemical dosimetry is based on the implication that the energy deposited to the matter can be inferred from the consequential change in chemical production. The chemical dosimetry usually works on the sample that is an aqueous solution, a biological matter, or an organic substance. In this study, we estimated absorbed doses by quantitating chemical changes in matter caused by radiation exposure. Two different chemical dosimeters, Fricke and ECB (Ethanol-Chlorobenzene) dosimeter, were compared in several features including efficacy as dose indicator and effective dose range

  3. Effect of temperature on a free energy and equilibrium constants during dry flue gas desulphurisation chemical reactions

    Directory of Open Access Journals (Sweden)

    Kuburović Miloš

    2002-01-01

    Full Text Available During dry flue gas desulphurisation (FGD dry particles of reagents are inserted (injected in the stream of flue gas, where they bond SO2. As reagents, the most often are used compounds of calcium (CaCO3, CaO or Ca(OH2. Knowledge of free energy and equilibrium constants of chemical reactions during dry FGD is necessary for understanding of influence of flue gas temperature to course of these chemical reactions as well as to SO2 bonding from flue gases.

  4. We forgot half of the population! The significance of gender in Danish energy renovation projects

    DEFF Research Database (Denmark)

    Tjørring, Lise

    2016-01-01

    that the way people live their everyday lives plays a crucial role in understanding why they choose whether to perform an energy renovation. This study is based on an anthropological investigation of ten Danish families and their decision-making process while receiving free energy advice, which, in many cases......, ended as an energy renovation project in the home. During the study, gender emerged as a significant factor in two ways. First, energy renovations were perceived differently by men and women as a consequence of their different everyday practices. Second, there was a cultural norm about the division...... that contains different gender practices and cultural influences....

  5. Analysis of activation energy in Couette-Poiseuille flow of nanofluid in the presence of chemical reaction and convective boundary conditions

    Science.gov (United States)

    Zeeshan, A.; Shehzad, N.; Ellahi, R.

    2018-03-01

    The motivation of the current article is to explore the energy activation in MHD radiative Couette-Poiseuille flow nanofluid in horizontal channel with convective boundary conditions. The mathematical model of Buongiorno [1] effectively describes the current flow analysis. Additionally, the impact of chemical reaction is also taken in account. The governing flow equations are simplified with the help of boundary layer approximations. Non-linear coupled equations for momentum, energy and mass transfer are tackled with analytical (HAM) technique. The influence of dimensionless convergence parameter like Brownian motion parameter, radiation parameter, buoyancy ratio parameter, dimensionless activation energy, thermophoresis parameter, temperature difference parameter, dimensionless reaction rate, Schmidt number, Brinkman number, Biot number and convection diffusion parameter on velocity, temperature and concentration profiles are discussed graphically and in tabular form. From the results, it is elaborate that the nanoparticle concentration is directly proportional to the chemical reaction with activation energy and the performance of Brownian motion on nanoparticle concentration gives reverse pattern to that of thermophoresis parameter.

  6. 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

  7. Theory of the chemical effects of high-energy electrons

    International Nuclear Information System (INIS)

    Magee, J.L.; Chatterjee, A.

    1978-01-01

    The general nature of radiation chemical yields arising from electron irradiations is examined. A relationship between the G value of an arbitrary radiation product and the initial electron energy (greater than 20 keV) in the form of an integro-differential equation is derived. G values for the water decomposition products in acid solution are obtained by numerical solution of the equation and the use of a model. A differential equation equivalent to the integro-differential equation for the case of Rutherford scattering is introduced and an approximate analytical solution is found (eq 10). The latter turns out to be in agreement with the numerical solution of the integro-differential equation obtained with the more accurate Moeller cross section. Experimental data for ferrous sulfate oxidation (Fricke dosimeter) are examined and found to be in agreement with the relationships obtained here. Primary yields of the water decomposition products are also given. 4 figures, 2 tables, 35 references

  8. 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…

  9. Uncoated microcantilevers as chemical sensors

    Science.gov (United States)

    Thundat, Thomas G.

    2001-01-01

    A method and device are provided for chemical sensing using cantilevers that do not use chemically deposited, chemically specific layers. This novel device utilizes the adsorption-induced variation in the surfaces states on a cantilever. The methodology involves exciting charge carriers into or out of the surface states with photons having increasing discrete levels of energy. The excitation energy is provided as discrete levels of photon energy by scanning the wavelength of an exciting source that is illuminating the cantilever surface. When the charge carriers are excited into or out of the surface states, the cantilever bending changes due to changes in surface stress. The amount of cantilever bending with respect to an identical cantilever as a function of excitation energy is used to determine the energy levels associated with adsorbates.

  10. Nanostructured Thin Film Synthesis by Aerosol Chemical Vapor Deposition for Energy Storage Applications

    Science.gov (United States)

    Chadha, Tandeep S.

    Renewable energy sources offer a viable solution to the growing energy demand while mitigating concerns for greenhouse gas emissions and climate change. This has led to a tremendous momentum towards solar and wind-based energy harvesting technologies driving efficiencies higher and costs lower. However, the intermittent nature of these energy sources necessitates energy storage technologies, which remain the Achilles heel in meeting the renewable energy goals. This dissertation focusses on two approaches for addressing the needs of energy storage: first, targeting direct solar to fuel conversion via photoelectrochemical water-splitting and second, improving the performance of current rechargeable batteries by developing new electrode architectures and synthesis processes. The aerosol chemical vapor deposition (ACVD) process has emerged as a promising single-step approach for nanostructured thin film synthesis directly on substrates. The relationship between the morphology and the operating parameters in the process is complex. In this work, a simulation based approach has been developed to understand the relationship and acquire the ability of predicting the morphology. These controlled nanostructured morphologies of TiO2 , compounded with gold nanoparticles of various shapes, are used for solar water-splitting applications. Tuning of light absorption in the visible-light range along with reduced electron-hole recombination in the composite structures has been demonstrated. The ACVD process is further extended to a novel single-step synthesis of nanostructured TiO2 electrodes directly on the current collector for applications as anodes in lithium-ion batteries, mainly for electric vehicles and hybrid electric vehicles. The effect of morphology of the nanostructures has been investigated via experimental studies and electrochemical transport modelling. Results demonstrate the exceptional performance of the single crystal one-dimensional nanostructures over granular

  11. Single-source dual-energy spectral multidetector CT of pancreatic adenocarcinoma: Optimization of energy level viewing significantly increases lesion contrast

    International Nuclear Information System (INIS)

    Patel, B.N.; Thomas, J.V.; Lockhart, M.E.; Berland, L.L.; Morgan, D.E.

    2013-01-01

    V was 31 ± 25 HU (p = 0.007). Conclusion: Significantly increased pancreatic lesion contrast was noted at lower viewing energies using spectral MDCT. Individual patient CNR-optimized energy level images have the potential to improve lesion conspicuity.

  12. 77 FR 58665 - Significant New Use Rules on Certain Chemical Substances

    Science.gov (United States)

    2012-09-21

    ... Guideline 415); a reproduction and fertility effects test (OECD Test Guideline 416); a reproduction... potentially exposed employees wear specified respirators unless actual measurements of the workplace air show that air-borne concentrations of the PMN substance are below a New Chemical Exposure Limit (NCEL) that...

  13. Tuning the Emission Energy of Chemically Doped Graphene Quantum Dots

    Directory of Open Access Journals (Sweden)

    Noor-Ul-Ain

    2016-11-01

    Full Text Available Tuning the emission energy of graphene quantum dots (GQDs and understanding the reason of tunability is essential for the GOD function in optoelectronic devices. Besides material-based challenges, the way to realize chemical doping and band gap tuning also pose a serious challenge. In this study, we tuned the emission energy of GQDs by substitutional doping using chlorine, nitrogen, boron, sodium, and potassium dopants in solution form. Photoluminescence data obtained from (Cl- and N-doped GQDs and (B-, Na-, and K-doped GQDs, respectively exhibited red- and blue-shift with respect to the photoluminescence of the undoped GQDs. X-ray photoemission spectroscopy (XPS revealed that oxygen functional groups were attached to GQDs. We qualitatively correlate red-shift of the photoluminescence with the oxygen functional groups using literature references which demonstrates that more oxygen containing groups leads to the formation of more defect states and is the reason of observed red-shift of luminescence in GQDs. Further on, time resolved photoluminescence measurements of Cl- and N-GQDs demonstrated that Cl substitution in GQDs has effective role in radiative transition whereas in N-GQDs leads to photoluminescence (PL quenching with non-radiative transition to ground state. Presumably oxidation or reduction processes cause a change of effective size and the bandgap.

  14. 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.

  15. Plasma-chemical processes and systems

    International Nuclear Information System (INIS)

    Castro B, J.

    1987-01-01

    The direct applications of plasma technology on chemistry and metallurgy are presented. The physical fundaments of chemically active non-equilibrium plasma, the reaction kinetics, and the physical chemical transformations occuring in the electrical discharges, which are applied in the industry, are analysed. Some plasma chemical systems and processes related to the energy of hydrogen, with the chemical technology and with the metallurgy are described. Emphasis is given to the optimization of the energy effectiveness of these processes to obtain reducers and artificial energetic carriers. (M.C.K.) [pt

  16. Fibres and energy from wheat straw by simple practice

    Energy Technology Data Exchange (ETDEWEB)

    Leponiemi, A.

    2011-06-15

    The overall purpose of this work is to evaluate the possibilities of wheat straw for fibre and energy production and address the question of whether or not it is possible to develop a cost-effective process for producing good quality pulp from wheat straw for current paper or paperboard products. In addition, in light of the green energy boom, the question of whether fibre production could give added value to energy production using wheat straw is addressed. Due to the logistics of the bulky raw material, the process should be applied on a small scale that determines the requirements for the process. The process should be simple, have low chemical consumption and be environmentally safe. The processes selected for the study were based on an initial hot water treatment. Actual defibration in the 'chemical' approach was then performed using a subsequent alkaline peroxide bleaching process or in the 'mechanical' approach through mechanical refining. In both approaches, energy can be produced from lower quality material such as dissolved solids or fines. In this work, one of the primary aims besides the development of the above-mentioned process is to investigate the chemical storage of wheat straw which decays easily between harvesting periods and examine its effects on pulping and pulp properties. In addition, the aim of this work is to determine the market potential for non-wood pulp and evaluate non-wood pulp production. The results showed that the 'chemical' approach produced fibres for printing and writing. The quality of the pulp was relatively good, but the chemical consumption at the target brightness of 75% was high, indicating that a chemical recovery would be needed unless the brightness target could be significantly reduced. The 'mechanical' approach produced unbleached fibres for fluting and the energy production from fines and dissolved solids generated additional income. The results also showed that it is possible

  17. Temporal Control over Transient Chemical Systems using Structurally Diverse Chemical Fuels.

    Science.gov (United States)

    Chen, Jack L-Y; Maiti, Subhabrata; Fortunati, Ilaria; Ferrante, Camilla; Prins, Leonard J

    2017-08-25

    The next generation of adaptive, intelligent chemical systems will rely on a continuous supply of energy to maintain the functional state. Such systems will require chemical methodology that provides precise control over the energy dissipation process, and thus, the lifetime of the transiently activated function. This manuscript reports on the use of structurally diverse chemical fuels to control the lifetime of two different systems under dissipative conditions: transient signal generation and the transient formation of self-assembled aggregates. The energy stored in the fuels is dissipated at different rates by an enzyme, which installs a dependence of the lifetime of the active system on the chemical structure of the fuel. In the case of transient signal generation, it is shown that different chemical fuels can be used to generate a vast range of signal profiles, allowing temporal control over two orders of magnitude. Regarding self-assembly under dissipative conditions, the ability to control the lifetime using different fuels turns out to be particularly important as stable aggregates are formed only at well-defined surfactant/fuel ratios, meaning that temporal control cannot be achieved by simply changing the fuel concentration. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Exact results in nonequilibrium statistical mechanics: Formalism and applications in chemical kinetics and single-molecule free energy estimation

    Science.gov (United States)

    Adib, Artur B.

    In the last two decades or so, a collection of results in nonequilibrium statistical mechanics that departs from the traditional near-equilibrium framework introduced by Lars Onsager in 1931 has been derived, yielding new fundamental insights into far-from-equilibrium processes in general. Apart from offering a more quantitative statement of the second law of thermodynamics, some of these results---typified by the so-called "Jarzynski equality"---have also offered novel means of estimating equilibrium quantities from nonequilibrium processes, such as free energy differences from single-molecule "pulling" experiments. This thesis contributes to such efforts by offering three novel results in nonequilibrium statistical mechanics: (a) The entropic analog of the Jarzynski equality; (b) A methodology for estimating free energies from "clamp-and-release" nonequilibrium processes; and (c) A directly measurable symmetry relation in chemical kinetics similar to (but more general than) chemical detailed balance. These results share in common the feature of remaining valid outside Onsager's near-equilibrium regime, and bear direct applicability in protein folding kinetics as well as in single-molecule free energy estimation.

  19. Effects of physical and chemical aspects on membrane fouling and cleaning using interfacial free energy analysis in forward osmosis.

    Science.gov (United States)

    Zhang, Wanzhu; Dong, Bingzhi

    2018-05-20

    Natural organic matter (NOM) in micro-polluted water purification using membranes is a critical issue to handle. Understanding the fouling mechanism in the forward osmosis (FO) process, particularly identifying the predominant factor that controls membrane fouling, could have significant effects on exerting the advantages of FO technique. Cellulose triacetate no-woven (CTA-NW) membrane is applied to experiments with a high removal efficiency (> 99%) for the model foulant. Tannic acid (TA) is used as a surrogate foulant for NOM in the membrane fouling process, thus enabling the analysis of the effects of physical and chemical aspects of water flux, retention, and adsorption. The membrane fouling behavior is affected mainly by the combined effects of the osmotic dragging force and the interaction of the pH in the working solution, foulants, and calcium ions, as demonstrated by the water flux loss and the changes of membrane retention and adsorption. The fouled CTA-NW membrane (in PRO mode) could be flux-recovered by > 85% through physical cleaning methods. The interfacial free energy analysis theory was used to analyze the membrane fouling behavior with calculating the interfacial cohesion and adhesion free energies. The cohesion free energy refers to the deposition of foulants (TA or TA combined with calcium ions) on a fouled membrane. In addition, the adhesion free energy could be used to evaluate the interaction between foulants and a clean membrane.

  20. Energy and physics

    Energy Technology Data Exchange (ETDEWEB)

    Kapitsa, P L

    1976-01-01

    The development of large power energy sources is reviewed in the light of fundamental limitations imposed by nature on the energy flux density. The energy sources based on electrostatic generators, gas units (direct conversion of hydrogen oxidation chemical energy to electric one), solar batteries, geothermal energy, wind power and hydroelectric power appear to be unpromising. The solution of the world energy crisis is connected with nuclear energy, and, first of all, with thermonuclear reaction of deuterium and tritium nuclei. In contrast to uranium employment the thermonuclear process produces no significant quantity of radioactive wastes, runs far less risk during accidents and cannot be used as an explosive. The realisation of a controlled thermonuclear reaction is pointed out to face a number of physical and technical problems still to be solved.

  1. Estimates of inter-fuel substitution possibilities in Chinese chemical industry

    International Nuclear Information System (INIS)

    Lin, Boqiang; Wesseh, Presley K.

    2013-01-01

    The chemical sector is a key driver of China's remarkable growth record and accounts for about 10% of the country's GDP. This has made the industry energy-intensive and consequently a major contributor to greenhouse gas emissions (GHG) and other pollutants. This study has attempted to investigate the potential for inter-fuel substitution between coal, oil, natural gas and electricity in Chinese chemical sector by employing a translog production and cost function. Ridge regression procedure was adopted to estimate the parameters of the function. Estimation results show that all energy inputs are substitutes. In addition, the study produces evidence that the significant role of coal in the Chinese chemical fuel mix converges over time, albeit slowly. These results suggest that price-based policies, coupled with capital subsidy programs can be adopted to redirect technology use towards cleaner energy sources like electricity and natural gas; hence, retaining the ability to fuel the chemical sector, while also mitigating GHG emissions. Notwithstanding, one must understand that the extent to which substituting electricity for coal will be effective depends on the extent to which coal or oil is used in generating electricity. The findings of this study provide general insights and underscore the importance of Chinese government policies that focus on installed capacity of renewable electricity, energy intensity targets as well as merger of enterprises. - Highlights: • Potential for inter-fuel substitution in Chinese chemical sector is investigated. • Oil, natural gas and electricity are found to be substitutes for coal. • Coal dominance in Chinese chemical fuel mix is found to converge over time. • Price-based policies and capital-subsidies are needed to redirect technology use. • Results support policies concerning renewables, energy-intensity targets and mergers

  2. 78 FR 27048 - Significant New Use Rules on Certain Chemical Substances

    Science.gov (United States)

    2013-05-09

    .... Potentially affected entities may include: Manufacturers, importers, or processors of one or more subject... of manufacturing and processing of a chemical substance. The extent to which a use changes the type...). CFR citation assigned in the regulatory text section of this rule. This rule includes a PMN substance...

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

    Science.gov (United States)

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

    2016-11-05

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

  4. Effect of soaking in water and rumen digeta solutions on metabolizable energy content and chemical composition of barley seeds for use in poultry diet.

    Science.gov (United States)

    Tabatabee, S N; Sadeghi, G H; Tabeidian, S A

    2007-03-15

    An experiment was carried out to evaluate the effect of soaking in water and different rumen digesta solutions on nutritional value of dry barley seeds. Treatments were included distilled water as control and rumen digesta that diluted with distilled water to obtain 20, 40 and 60% digesta solutions. Solutions have added to 10 kg of barley seed samples to achieve final 30% moisture content. After 21 days the chemical composition and energy content of barley seed were determined. Gross energy of barley seeds did not affected by different experimental treatments. Use of 20% rumen digesta solution resulted to a significant (pcontent of barley seeds. Barley seed that treated with 40% of rumen digesta solution had highest TME and TMEn content and its different from seeds that treated with 60 and 100% rumen digesta solutions was significant (prumen digesta solutions increased crud protein, ether extract, crude fiber and ash content of barley seeds numerically.

  5. Solvated electron: criticism of a suggested correlation of chemical potential with optical absorption energy

    International Nuclear Information System (INIS)

    Farhataziz, M.

    1984-01-01

    A recent theoretical treatment of the absorption spectrum of the solvated electron, e - sub(s), maintains that rigorously μ 0 >= -0.75 Esub(av), which gives empirical relationship, μ 0 >= -(0.93 +- 0.02)Esub(max). For e - sub(s) in a particular solvent at a temperature and pressure, μ 0 , Esub(av) and Esub(max) are standard chemical potential, average energy of the absorption spectrum and the energy at the absorption maximum respectively. The temperature and pressure effects on the absorption spectrum of e - sub(s) in water and liquid ammonia do not support the equality sign in the above cited relationships. The implications of inequality expressed above are discussed for e - sub(s) in water and liquid ammonia. (author)

  6. Chemical sensors

    International Nuclear Information System (INIS)

    Hubbard, C.W.; Gordon, R.L.

    1987-05-01

    The revolution in analytical chemistry promised by recent developments in the field of chemical sensors has potential for significant positive impact on both research and production activities conducted by and for the Department of Energy. Analyses which were, in the past, performed only with a roomful of expensive equipment can now be performed with miniature solid-state electronic devices or small optical probes. Progress in the development of chemical sensors has been rapid, and the field is currently growing at a great rate. In accordance, Pacific Northwest Laboratory initiated a survey of recent literature so that contributors to active programs in research on analytical methods could be made aware of principles and applications of this new technology. This report presents the results of that survey. The sensors discussed here are divided into three types: micro solid-state devices, optical sensors, and piezoelectric crystal devices. The report is divided into three corresponding sections. The first section, ''Micro Solid-State Devices,'' discusses the design, operation, and application of electronic sensors that are produced in much the same way as standard solid-state electronic devices. The second section, ''Optrodes,'' covers the design and operation of chemical sensors that use fiber optics to detect chemically induced changes in optical properties. The final section, ''Piezoelectric Crystal Detectors,'' discusses two types of chemical sensors that depend on the changes in the properties of an oscillating piezoelectric crystal to detect the presence of certain materials. Advantages and disadvantages of each type of sensor are summarized in each section

  7. Chemical Disequilibria and Sources of Gibbs Free Energy Inside Enceladus

    Science.gov (United States)

    Zolotov, M. Y.

    2010-12-01

    Non-photosynthetic organisms use chemical disequilibria in the environment to gain metabolic energy from enzyme catalyzed oxidation-reduction (redox) reactions. The presence of carbon dioxide, ammonia, formaldehyde, methanol, methane and other hydrocarbons in the eruptive plume of Enceladus [1] implies diverse redox disequilibria in the interior. In the history of the moon, redox disequilibria could have been activated through melting of a volatile-rich ice and following water-rock-organic interactions. Previous and/or present aqueous processes are consistent with the detection of NaCl and Na2CO3/NaHCO3-bearing grains emitted from Enceladus [2]. A low K/Na ratio in the grains [2] and a low upper limit for N2 in the plume [3] indicate low temperature (possibly enzymes if organisms were (are) present. The redox conditions in aqueous systems and amounts of available Gibbs free energy should have been affected by the production, consumption and escape of hydrogen. Aqueous oxidation of minerals (Fe-Ni metal, Fe-Ni phosphides, etc.) accreted on Enceladus should have led to H2 production, which is consistent with H2 detection in the plume [1]. Numerical evaluations based on concentrations of plume gases [1] reveal sufficient energy sources available to support metabolically diverse life at a wide range of activities (a) of dissolved H2 (log aH2 from 0 to -10). Formaldehyde, carbon dioxide [c.f. 4], HCN (if it is present), methanol, acetylene and other hydrocarbons have the potential to react with H2 to form methane. Aqueous hydrogenations of acetylene, HCN and formaldehyde to produce methanol are energetically favorable as well. Both favorable hydrogenation and hydration of HCN lead to formation of ammonia. Condensed organic species could also participate in redox reactions. Methane and ammonia are the final products of these putative redox transformations. Sulfates may have not formed in cold and/or short-term aqueous environments with a limited H2 escape. In contrast to

  8. 77 FR 61117 - Significant New Use Rules on Certain Chemical Substances

    Science.gov (United States)

    2012-10-05

    ...: Acrylate ester (generic). CAS number: Not available. Basis for action: The PMN states that the generic (non... acrylates, EPA predicts toxicity to aquatic organisms may occur at concentrations that exceed 50 ppb of the...-149 Chemical name: Potassium titanium oxide. CAS number: 12673-69-7. Effective date of TSCA section 5...

  9. Kinetic mechanism of molecular energy transfer and chemical reactions in low-temperature air-fuel plasmas.

    Science.gov (United States)

    Adamovich, Igor V; Li, Ting; Lempert, Walter R

    2015-08-13

    This work describes the kinetic mechanism of coupled molecular energy transfer and chemical reactions in low-temperature air, H2-air and hydrocarbon-air plasmas sustained by nanosecond pulse discharges (single-pulse or repetitive pulse burst). The model incorporates electron impact processes, state-specific N(2) vibrational energy transfer, reactions of excited electronic species of N(2), O(2), N and O, and 'conventional' chemical reactions (Konnov mechanism). Effects of diffusion and conduction heat transfer, energy coupled to the cathode layer and gasdynamic compression/expansion are incorporated as quasi-zero-dimensional corrections. The model is exercised using a combination of freeware (Bolsig+) and commercial software (ChemKin-Pro). The model predictions are validated using time-resolved measurements of temperature and N(2) vibrational level populations in nanosecond pulse discharges in air in plane-to-plane and sphere-to-sphere geometry; temperature and OH number density after nanosecond pulse burst discharges in lean H(2)-air, CH(4)-air and C(2)H(4)-air mixtures; and temperature after the nanosecond pulse discharge burst during plasma-assisted ignition of lean H2-mixtures, showing good agreement with the data. The model predictions for OH number density in lean C(3)H(8)-air mixtures differ from the experimental results, over-predicting its absolute value and failing to predict transient OH rise and decay after the discharge burst. The agreement with the data for C(3)H(8)-air is improved considerably if a different conventional hydrocarbon chemistry reaction set (LLNL methane-n-butane flame mechanism) is used. The results of mechanism validation demonstrate its applicability for analysis of plasma chemical oxidation and ignition of low-temperature H(2)-air, CH(4)-air and C(2)H(4)-air mixtures using nanosecond pulse discharges. Kinetic modelling of low-temperature plasma excited propane-air mixtures demonstrates the need for development of a more accurate

  10. 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.

  11. Approximate method of calculation of non-equilibrium flow parameters of chemically reacting nitrogen tetroxide in the variable cross-section channels with energy exchange

    International Nuclear Information System (INIS)

    Bazhin, M.A.; Fedosenko, G.Eh.; Shiryaeva, N.M.; Mal'ko, M.V.

    1986-01-01

    It is shown that adiabatic non-equilibrium chemically reacting gas flow with energy exchange in a variable cross-section channel may be subdivided into five possible types: 1) quasi-equilibrium flow; 2) flow in the linear region of deviation from equilibrium state; 3) quasi-frozen flow; 4) flow in the linear region of deviation from frozen state; 5) non-equilibrium flow. Criteria of quasi-equilibrium and quazi-frozen flows, including factors of external action of chemically reacting gas on flow, allow to obtain simple but sufficiently reliable approximate method of calculation of flow parameters. The considered method for solving the problem of chemically reacting nitrogen tetroxide in the variable cross-section channel with energy exchange can be used for evaluation of chemical reaction kinetics on the flow parameter in the stages of axial-flow and radial-flow turbines and in another practical problems

  12. Single-source dual-energy spectral multidetector CT of pancreatic adenocarcinoma: optimization of energy level viewing significantly increases lesion contrast.

    Science.gov (United States)

    Patel, B N; Thomas, J V; Lockhart, M E; Berland, L L; Morgan, D E

    2013-02-01

    .007). Significantly increased pancreatic lesion contrast was noted at lower viewing energies using spectral MDCT. Individual patient CNR-optimized energy level images have the potential to improve lesion conspicuity. Copyright © 2012 The Royal College of Radiologists. Published by Elsevier Ltd. All rights reserved.

  13. Calculation of baryon chemical potential and strangeness chemical potential in resonance matter

    International Nuclear Information System (INIS)

    Fu Yuanyong; Hu Shouyang; Lu Zhongdao

    2006-01-01

    Based on the high energy heavy-ion collisions statistical model, the baryon chemical potential and strangeness chemical potential are calculated for resonance matter with net baryon density and net strangeness density under given temperature. Furthermore, the relationship between net baryon density, net strangeness density and baryon chemical potential, strangeness chemical potential are analyzed. The results show that baryon chemical potential and strangeness chemical potential increase with net baryon density and net strangeness density increasing, the change of net baryon density affects baryon chemical potential and strangeness chemical potential more strongly than the change of net strangeness density. (authors)

  14. A significant shift in favor of nuclear energy since 2005

    International Nuclear Information System (INIS)

    Anon.

    2008-01-01

    A new opinion poll shows a general trend in Europe in favor of nuclear energy: 44% of the people interrogated are for nuclear energy while only 37% were for in 2005. About 40% of the people against nuclear energy would change their mind if a safe and definitive solution for the management of radioactive waste was found. The survey also shows that more people are aware of the assets of nuclear energy in terms of energy independence and greenhouse gas emission. The countries where the support is the strongest are the Czech Republic (64%), Lithuania (64%), Sweden (62%) and Finland (61%). In France, the biggest nuclear energy producer in Europe, the rate of favorable opinion for nuclear energy remains constant at 52%. (A.C.)

  15. Chemical track effects in condensed systems and implications for biological damage

    International Nuclear Information System (INIS)

    Magee, J.L.; Chatterjee, A.

    1979-01-01

    The spatial distributions of reactive intermediates, chemical reactions, and products are involved in the chemical interests in particle tracks. Biological systems are considred to be concentrated aqueous solutions, and the reactions of biological molecules can occur at any time including prethermal period. Heavy particles lose approximately equal amounts of energy by two mechanisms which lead to the different patterns of energy deposit; that is, the resonant process with individual losses in the range of 0 - 100 eV, and the knock-on process which creates recoil electrons in spectra from 100 eV to the maximum. The survival of cultured cells after irradiation depends on certain parameters of the radiation. Such theories seem to imply that the deposit of energy in the proper location of a cell can guarantee its death, that is, there is all-or-none effect, dependent solely on the absorption of energy. The initial dissociation of water is assumed to require 17 eV. A weakness regarding heavy particle tracks is the lack of knowledge on the phenomena that occur at extremely high energy deposit, approximately 1000 eV per A. Significantly high temperature must be generated, accompanied by shock waves and bubble formation. In a radical diffusion model for cell survival, it is assumed that a particular type of the lesion of DNA may be formed by a purely chemical process which can provide a certain lethality. The chemical processes following the energy deposit by high energy particles are known at least in approximate way, including most of the phenomena in space and time. (Yamashita, S.)

  16. Reactive chemicals and process hazards

    International Nuclear Information System (INIS)

    Surianarayanan, M.

    2016-01-01

    Exothermic chemical reactions are often accompanied by significant heat release, and therefore, need a thorough investigation before they are taken to a plant scale. Sudden thermal energy releases from exothermic decompositions and runaway reactions have contributed to serious fire and explosions in several chemical process plants. Similarly, thermal runaway had also occurred in storage and transportation of reactive chemicals. The secondary events of thermal runaway reactions can be rupture of process vessel, toxic spills and release of explosive vapor clouds or combination of these also. The explosion hazards are governed by the system thermodynamics and kinetics of the thermal process. Theoretical prediction of limiting temperature is difficult due to process complexities. Further, the kinetic data obtained through classical techniques, at conditions far away from runaway situation, is often not valid for assessing the runaway behavior of exothermic processes. The main focus of this lecture is to discuss the causes and several contributing factors for thermal runaway and instability and present analyses of the methodologies of the new instrumental techniques for assessing the thermal hazards of reactive chemicals during processing, storage and transportation. (author)

  17. Energy absorption buildup factors of human organs and tissues at energies and penetration depths relevant for radiotherapy and diagnostics

    DEFF Research Database (Denmark)

    Manohara, S. R.; Hanagodimath, S. M.; Gerward, Leif

    2011-01-01

    Energy absorption geometric progression (GP) fitting parameters and the corresponding buildup factors have been computed for human organs and tissues, such as adipose tissue, blood (whole), cortical bone, brain (grey/white matter), breast tissue, eye lens, lung tissue, skeletal muscle, ovary......, testis, soft tissue, and soft tissue (4-component), for the photon energy range 0.015-15 MeV and for penetration depths up to 40 mfp (mean free path). The chemical composition of human organs and tissues is seen to influence the energy absorption buildup factors. It is also found that the buildup factor...... of human organs and tissues changes significantly with the change of incident photon energy and effective atomic number, Zeff. These changes are due to the dominance of different photon interaction processes in different energy regions and different chemical compositions of human organs and tissues...

  18. A comparison of chemical and ionization dosimetry for high-energy x-ray and electron beams

    International Nuclear Information System (INIS)

    Durocher, J.J.; Boese, H.; Cormack, D.V.; Holloway, A.F.

    1981-01-01

    A comparison was made of ferrous sulfate (Fricke) and ionometric methods for determining the absorbed dose in a phantom irradiated with 4-MV x-rays, 25-MV x-rays, or electron beams having various incident energies between 10 and 32 MeV. Both chemical and ionization instruments were calibrated in a 60 Co beam at a point in water where the absorbed dose had been previously determined. The chemical yield measurements were corrected for spatial variations in dose within the volume of the solution and used to obtain a value of the absorbed dose for each of the x-ray and electron beams. The ratios of G-values required for these determinations were taken from ICRU reports 14 and 21. Ionization instrument readings from three types of commercial ionization chambers were used to obtain alternate values of the absorbed dose for each radiation. C lambda and CE values used in determining these ionization values of dose were also taken from the above ICRU reports. For 4-MV x-rays the values of absorbed dose obtained from chemical measurements agreed to within 0.5% with values obtained from ionization measurements; for 25-MV x-rays the chemical values were about 1% higher than the ionization values; for the electron beams the chemical values were 1%-4% below the ionization values. These discrepancies suggest an inconsistency among the recommended G, C lambda, and CE values similar to that which has been noted by other workers

  19. Lignocellulosic Biomass Transformations via Greener Oxidative Pretreatment Processes: Access to Energy and Value-Added Chemicals.

    Science.gov (United States)

    Den, Walter; Sharma, Virender K; Lee, Mengshan; Nadadur, Govind; Varma, Rajender S

    2018-01-01

    Anthropogenic climate change, principally induced by the large volume of carbon dioxide emission from the global economy driven by fossil fuels, has been observed and scientifically proven as a major threat to civilization. Meanwhile, fossil fuel depletion has been identified as a future challenge. Lignocellulosic biomass in the form of organic residues appears to be the most promising option as renewable feedstock for the generation of energy and platform chemicals. As of today, relatively little bioenergy comes from lignocellulosic biomass as compared to feedstock such as starch and sugarcane, primarily due to high cost of production involving pretreatment steps required to fragment biomass components via disruption of the natural recalcitrant structure of these rigid polymers; low efficiency of enzymatic hydrolysis of refractory feedstock presents a major challenge. The valorization of lignin and cellulose into energy products or chemical products is contingent on the effectiveness of selective depolymerization of the pretreatment regime which typically involve harsh pyrolytic and solvothermal processes assisted by corrosive acids or alkaline reagents. These unselective methods decompose lignin into many products that may not be energetically or chemically valuable, or even biologically inhibitory. Exploring milder, selective and greener processes, therefore, has become a critical subject of study for the valorization of these materials in the last decade. Efficient alternative activation processes such as microwave- and ultrasound irradiation are being explored as replacements for pyrolysis and hydrothermolysis, while milder options such as advanced oxidative and catalytic processes should be considered as choices to harsher acid and alkaline processes. Herein, we critically abridge the research on chemical oxidative techniques for the pretreatment of lignocellulosics with the explicit aim to rationalize the objectives of the biomass pretreatment step and the

  20. Quantum chemical modeling of zeolite-catalyzed methylation reactions: toward chemical accuracy for barriers.

    Science.gov (United States)

    Svelle, Stian; Tuma, Christian; Rozanska, Xavier; Kerber, Torsten; Sauer, Joachim

    2009-01-21

    The methylation of ethene, propene, and t-2-butene by methanol over the acidic microporous H-ZSM-5 catalyst has been investigated by a range of computational methods. Density functional theory (DFT) with periodic boundary conditions (PBE functional) fails to describe the experimentally determined decrease of apparent energy barriers with the alkene size due to inadequate description of dispersion forces. Adding a damped dispersion term expressed as a parametrized sum over atom pair C(6) contributions leads to uniformly underestimated barriers due to self-interaction errors. A hybrid MP2:DFT scheme is presented that combines MP2 energy calculations on a series of cluster models of increasing size with periodic DFT calculations, which allows extrapolation to the periodic MP2 limit. Additionally, errors caused by the use of finite basis sets, contributions of higher order correlation effects, zero-point vibrational energy, and thermal contributions to the enthalpy were evaluated and added to the "periodic" MP2 estimate. This multistep approach leads to enthalpy barriers at 623 K of 104, 77, and 48 kJ/mol for ethene, propene, and t-2-butene, respectively, which deviate from the experimentally measured values by 0, +13, and +8 kJ/mol. Hence, enthalpy barriers can be calculated with near chemical accuracy, which constitutes significant progress in the quantum chemical modeling of reactions in heterogeneous catalysis in general and microporous zeolites in particular.

  1. Mesoscale simulations of shockwave energy dissipation via chemical reactions.

    Science.gov (United States)

    Antillon, Edwin; Strachan, Alejandro

    2015-02-28

    We use a particle-based mesoscale model that incorporates chemical reactions at a coarse-grained level to study the response of materials that undergo volume-reducing chemical reactions under shockwave-loading conditions. We find that such chemical reactions can attenuate the shockwave and characterize how the parameters of the chemical model affect this behavior. The simulations show that the magnitude of the volume collapse and velocity at which the chemistry propagates are critical to weaken the shock, whereas the energetics in the reactions play only a minor role. Shock loading results in transient states where the material is away from local equilibrium and, interestingly, chemical reactions can nucleate under such non-equilibrium states. Thus, the timescales for equilibration between the various degrees of freedom in the material affect the shock-induced chemistry and its ability to attenuate the propagating shock.

  2. Chemical Industry Bandwidth Study

    Energy Technology Data Exchange (ETDEWEB)

    none,

    2006-12-01

    The Chemical Bandwidth Study provides a snapshot of potentially recoverable energy losses during chemical manufacturing. The advantage of this study is the use of "exergy" analysis as a tool for pinpointing inefficiencies.

  3. Carbon nanostructure-based field-effect transistors for label-free chemical/biological sensors.

    Science.gov (United States)

    Hu, PingAn; Zhang, Jia; Li, Le; Wang, Zhenlong; O'Neill, William; Estrela, Pedro

    2010-01-01

    Over the past decade, electrical detection of chemical and biological species using novel nanostructure-based devices has attracted significant attention for chemical, genomics, biomedical diagnostics, and drug discovery applications. The use of nanostructured devices in chemical/biological sensors in place of conventional sensing technologies has advantages of high sensitivity, low decreased energy consumption and potentially highly miniaturized integration. Owing to their particular structure, excellent electrical properties and high chemical stability, carbon nanotube and graphene based electrical devices have been widely developed for high performance label-free chemical/biological sensors. Here, we review the latest developments of carbon nanostructure-based transistor sensors in ultrasensitive detection of chemical/biological entities, such as poisonous gases, nucleic acids, proteins and cells.

  4. Revisiting the definition of the electronic chemical potential, chemical hardness, and softness at finite temperatures

    International Nuclear Information System (INIS)

    Franco-Pérez, Marco; Gázquez, José L.; Ayers, Paul W.; Vela, Alberto

    2015-01-01

    We extend the definition of the electronic chemical potential (μ e ) and chemical hardness (η e ) to finite temperatures by considering a reactive chemical species as a true open system to the exchange of electrons, working exclusively within the framework of the grand canonical ensemble. As in the zero temperature derivation of these descriptors, the response of a chemical reagent to electron-transfer is determined by the response of the (average) electronic energy of the system, and not by intrinsic thermodynamic properties like the chemical potential of the electron-reservoir which is, in general, different from the electronic chemical potential, μ e . Although the dependence of the electronic energy on electron number qualitatively resembles the piecewise-continuous straight-line profile for low electronic temperatures (up to ca. 5000 K), the introduction of the temperature as a free variable smoothens this profile, so that derivatives (of all orders) of the average electronic energy with respect to the average electron number exist and can be evaluated analytically. Assuming a three-state ensemble, well-known results for the electronic chemical potential at negative (−I), positive (−A), and zero values of the fractional charge (−(I + A)/2) are recovered. Similarly, in the zero temperature limit, the chemical hardness is formally expressed as a Dirac delta function in the particle number and satisfies the well-known reciprocity relation with the global softness

  5. Effect of Rashba and Dresselhaus interactions on the energy spectrum, chemical potential, addition energy and spin-splitting in a many-electron parabolic GaAs quantum dot in a magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, D. Sanjeev [School of Physics, University of Hyderabad, Hyderabad 500046 (India); Mukhopadhyay, Soma [H & S Department of Physics, CMR College of Engineering and Technology, Kandlakoya, Medchal Road, Hyderabad 501 401 (India); Chatterjee, Ashok [School of Physics, University of Hyderabad, Hyderabad 500046 (India)

    2016-11-15

    The effect of electron–electron interaction and the Rashba and Dresselhaus spin–orbit interactions on the electronic properties of a many-electron system in a parabolically confined quantum dot placed in an external magnetic field is studied. With a simple and physically reasonable model potential for electron–electron interaction term, the problem is solved exactly to second-order in the spin–orbit coupling constants to obtain the energy spectrum, the chemical potential, addition energy and the spin-splitting energy.

  6. Effect of Rashba and Dresselhaus interactions on the energy spectrum, chemical potential, addition energy and spin-splitting in a many-electron parabolic GaAs quantum dot in a magnetic field

    International Nuclear Information System (INIS)

    Kumar, D. Sanjeev; Mukhopadhyay, Soma; Chatterjee, Ashok

    2016-01-01

    The effect of electron–electron interaction and the Rashba and Dresselhaus spin–orbit interactions on the electronic properties of a many-electron system in a parabolically confined quantum dot placed in an external magnetic field is studied. With a simple and physically reasonable model potential for electron–electron interaction term, the problem is solved exactly to second-order in the spin–orbit coupling constants to obtain the energy spectrum, the chemical potential, addition energy and the spin-splitting energy.

  7. Chemical Production using Fission Fragments

    International Nuclear Information System (INIS)

    Dawson, J. K.; Moseley, F.

    1960-01-01

    Some reactor design considerations of the use of fission recoil fragment energy for the production of chemicals of industrial importance have been discussed previously in a paper given at the Second United Nations International Conference on the Peaceful Uses of Atomic Energy [A/Conf. 15/P.76]. The present paper summarizes more recent progress made on this topic at AERE, Harwell. The range-energy relationship for fission fragments is discussed in the context of the choice of fuel system for a chemical production reactor, and the experimental observation of a variation of chemical effect along the length of a fission fragment track is described for the irradiation of nitrogen-oxygen mixtures. Recent results are given on the effect of fission fragments on carbon monoxide-hydrogen gas mixtures and on water vapour. No system investigated to date shows any outstanding promise for large-scale chemical production. (author) [fr

  8. Report on investigations and studies on chemical conversion of photo-energy; Hikari energy no kagakuteki henkan ni kansuru chosa kenkyu hokokusho

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1984-03-01

    This paper summarizes problems in utilization of solar energy, their solutions, features, the currently achieved results, and prospects. With regard to water decomposition using semiconductors, simultaneous generation of hydrogen and oxygen has already been achieved, and there is high possibility of raising the efficiency by improving catalysts. Water decomposition using metal complexes has acceleration of charge isolation as the largest problem, whose prospect of solution is not necessarily bright at the present time. Photo-catalytic reaction is a field to be discussed as one means of developing a new synthesizing method from the viewpoint of organic synthetic chemistry. Conversion into electric energy that uses a photovoltaic process has high efficiency, and is a field to be noted. In photo-energy conversion by means of photo-synthesis, living organisms performing hydrogen production at high efficiency have been discovered. Important studies include the studies in terms of chemical engineering using these living organisms, improvement of breeds by gene manipulations, and studies that utilize living organisms or part of the constituting components. (NEDO)

  9. Total energy calculations from self-energy models

    International Nuclear Information System (INIS)

    Sanchez-Friera, P.

    2001-06-01

    Density-functional theory is a powerful method to calculate total energies of large systems of interacting electrons. The usefulness of this method, however, is limited by the fact that an approximation is required for the exchange-correlation energy. Currently used approximations (LDA and GGA) are not sufficiently accurate in many physical problems, as for instance the study of chemical reactions. It has been shown that exchange-correlation effects can be accurately described via the self-energy operator in the context of many-body perturbation theory. This is, however, a computationally very demanding approach. In this thesis a new scheme for calculating total energies is proposed, which combines elements from many-body perturbation theory and density-functional theory. The exchange-correlation energy functional is built from a simplified model of the self-energy, that nevertheless retains the main features of the exact operator. The model is built in such way that the computational effort is not significantly increased with respect to that required in a typical density-functional theory calculation. (author)

  10. Exploring the role of quantum chemical descriptors in modeling acute toxicity of diverse chemicals to Daphnia magna.

    Science.gov (United States)

    Reenu; Vikas

    2015-09-01

    Various quantum-mechanically computed molecular and thermodynamic descriptors along with physico-chemical, electrostatic and topological descriptors are compared while developing quantitative structure-activity relationships (QSARs) for the acute toxicity of 252 diverse organic chemicals towards Daphnia magna. QSAR models based on the quantum-chemical descriptors, computed with routinely employed advanced semi-empirical and ab-initio methods, along with the electron-correlation contribution (CORR) of the descriptors, are analyzed for the external predictivity of the acute toxicity. The models with reliable internal stability and external predictivity are found to be based on the HOMO energy along with the physico-chemical, electrostatic and topological descriptors. Besides this, the total energy and electron-correlation energy are also observed as highly reliable descriptors, suggesting that the intra-molecular interactions between the electrons play an important role in the origin of the acute toxicity, which is in fact an unexplored phenomenon. The models based on quantum-chemical descriptors such as chemical hardness, absolute electronegativity, standard Gibbs free energy and enthalpy are also observed to be reliable. A comparison of the robust models based on the quantum-chemical descriptors computed with various quantum-mechanical methods suggests that the advanced semi-empirical methods such as PM7 can be more reliable than the ab-initio methods which are computationally more expensive. Copyright © 2015 Elsevier Inc. All rights reserved.

  11. Chemical gas sensors and the characterization, monitoring and sensor technology needs of the US Department of Energy

    International Nuclear Information System (INIS)

    Bastiaans, G.J.; Haas, W.J. Jr.; Junk, G.A.

    1993-01-01

    The Office of Technology Development within the Dept. of Energy (DOE) has the responsibility of providing new technologies to aid the environmental restoration and waste management (ER/WM) activities of the DOE. There is a perception that application and judicious development of chemical sensor technologies could result in large cost savings and reduced risk to the health and safety of ER/WM personnel. A number of potential gas sensor applications which exist within DOE ER/WM operations are described. The capabilities of several chemical sensor technologies and their potential to meet the needs of ER/WM applications in the present or near term future are discussed

  12. Supersonic molecular beam experiments on surface chemical reactions.

    Science.gov (United States)

    Okada, Michio

    2014-10-01

    The interaction of a molecule and a surface is important in various fields, and in particular in complex systems like biomaterials and their related chemistry. However, the detailed understanding of the elementary steps in the surface chemistry, for example, stereodynamics, is still insufficient even for simple model systems. In this Personal Account, 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 demonstrate a significant role of the translational energy of the incident molecules. The use of hyperthermal molecular beams enables us to open up new chemical reaction paths specific for the hyperthermal energy region, and to develop new methods for the fabrication of thin films. On the other hand, oriented molecular beams also demonstrate the possibility of understanding surface chemical reactions in detail by varying the orientation of the incident molecules. The steric effects found on Si surfaces hint at new ways of material fabrication on Si surfaces. Controlling the initial conditions of incoming molecules is a powerful tool for finely monitoring the elementary step of the surface chemical reactions and creating new materials on surfaces. Copyright © 2014 The Chemical Society of Japan and Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Energy consumption analysis of Spanish food and drink, textile, chemical and non-metallic mineral products sectors

    International Nuclear Information System (INIS)

    Aranda-Usón, Alfonso; Ferreira, Germán; Mainar-Toledo, M.D.; Scarpellini, Sabina; Llera Sastresa, Eva

    2012-01-01

    This paper provides quantitative information for energy consumption from four different industry sectors based on an energy analysis obtained by means of in-situ energy audits and complementary information. The latter information was taken from Saving Strategy and Energy Efficiency in Spain (Estrategia de Ahorro y Eficiencia Energética en España 2004–2010, E4) documents and the 2009 Industrial Survey of Spain from the National Statistics Institute (Instituto Nacional de Estadística, INE). The results show an estimate of energy consumption for each sector, namely Spanish food, drink and tobacco (9.6%), textile (4.5%), chemical (14.7%), and non-metallic mineral products (24.3%), as well as the degree of inefficiency for each, obtained by means of a stochastic frontier production function model. These results are combined with the energy consumption analysis to identify potential energy saving opportunities around 20.0% of the total energy consumption for all studied sectors. These energy saving opportunities are classified according to thermal or electrical energy consumption and percentage savings of the total energy consumption. -- Highlights: ► This study presents the analysis of four Spanish energy-consuming industrial sectors. ► The four selected sectors account for 33.0% of the total industrial SMEs. ► An audit was carried out in several factories from each analysed industrial sector. ► Stochastic Cobb-Douglas frontiers were used to estimate production frontiers. ► Potential energy saving opportunities around 20.0% of the total energy consumption.

  14. Development of Bi-phase sodium-oxygen-hydrogen chemical equilibrium calculation program (BISHOP) using Gibbs free energy minimization method

    International Nuclear Information System (INIS)

    Okano, Yasushi

    1999-08-01

    In order to analyze the reaction heat and compounds due to sodium combustion, the multiphase chemical equilibrium calculation program for chemical reaction among sodium, oxygen and hydrogen is developed in this study. The developed numerical program is named BISHOP; which denotes Bi-Phase, Sodium - Oxygen - Hydrogen, Chemical Equilibrium Calculation Program'. Gibbs free energy minimization method is used because of the special merits that easily add and change chemical species, and generally deal many thermochemical reaction systems in addition to constant temperature and pressure one. Three new methods are developed for solving multi-phase sodium reaction system in this study. One is to construct equation system by simplifying phase, and the other is to expand the Gibbs free energy minimization method into multi-phase system, and the last is to establish the effective searching method for the minimum value. Chemical compounds by the combustion of sodium in the air are calculated using BISHOP. The Calculated temperature and moisture conditions where sodium-oxide and hydroxide are formed qualitatively agree with the experiments. Deformation of sodium hydride is calculated by the program. The estimated result of the relationship between the deformation temperature and pressure closely agree with the well known experimental equation of Roy and Rodgers. It is concluded that BISHOP can be used for evaluated the combustion and deformation behaviors of sodium and its compounds. Hydrogen formation condition of the dump-tank room at the sodium leak event of FBR is quantitatively evaluated by BISHOP. It can be concluded that to keep the temperature of dump-tank room lower is effective method to suppress the formation of hydrogen. In case of choosing the lower inflammability limit of 4.1 mol% as the hydrogen concentration criterion, formation reaction of sodium hydride from sodium and hydrogen is facilitated below the room temperature of 800 K, and concentration of hydrogen

  15. Wave energy budget analysis in the Earth's radiation belts uncovers a missing energy.

    Science.gov (United States)

    Artemyev, A V; Agapitov, O V; Mourenas, D; Krasnoselskikh, V V; Mozer, F S

    2015-05-15

    Whistler-mode emissions are important electromagnetic waves pervasive in the Earth's magnetosphere, where they continuously remove or energize electrons trapped by the geomagnetic field, controlling radiation hazards to satellites and astronauts and the upper-atmosphere ionization or chemical composition. Here, we report an analysis of 10-year Cluster data, statistically evaluating the full wave energy budget in the Earth's magnetosphere, revealing that a significant fraction of the energy corresponds to hitherto generally neglected very oblique waves. Such waves, with 10 times smaller magnetic power than parallel waves, typically have similar total energy. Moreover, they carry up to 80% of the wave energy involved in wave-particle resonant interactions. It implies that electron heating and precipitation into the atmosphere may have been significantly under/over-valued in past studies considering only conventional quasi-parallel waves. Very oblique waves may turn out to be a crucial agent of energy redistribution in the Earth's radiation belts, controlled by solar activity.

  16. Significance of atmospheric effects of heat rejection from energy centers in the semi arid northwest

    International Nuclear Information System (INIS)

    Ramsdell, J.V.; Drake, R.L.; Young, J.R.

    1976-01-01

    The results presented in this paper have been obtained using simple atmospheric models in an attempt to optimize heat sink management in a conceptual nuclear energy center (NEC) at Hanford. The models have been designed to be conservatice in the sense that they are biased toward over prediction of the impact of cooling system effluents on humidity and fog. Thus the models are screening tools to be used to identify subjects for further, more realistic examination. Within this context the following conclusions have been reached: the evaluation of any atmospheric impact postulated for heat dissipation must be conducted in quantitative terms which can be used to determine the significance of the impact; of the potential atmospheric impacts of large heat releases from energy centers, the one most amenable to quantitative evaluation in meaningful terms as the increase in fog; a postulated increase in frequency of fog can be translated into terms of visibility and both can be evaluated statistically; the translation of a increase in fog to visibility terms permits economic evaluation of the impact; and the predicted impact of the HNEC on fog and visibility is statistically significant whether the energy center consists of 20 or 40 units

  17. Evaporation of multicomponent chemical spills: When is liquid phase resistance significant?

    International Nuclear Information System (INIS)

    Berger, D.; Mackay, D.

    1993-01-01

    When chemicals are spilled on land or water, it is important to be able to estimate evaporation rates accurately. Conventional models used to predict evaporation rates of multicomponent spills assume that the entire resistance to evaporation lies in the vapor phase. Under certain conditions, an additional liquid phase resistance may be introduced, resulting in retarded evaporation rates. Existing models may thus fail to predict spill behavior accurately. A study is described whose objective is to elucidate the significance of the liquid phase resistance. Evaporation experiments were conducted in which a thin layer of synthetic oil (mineral oil enriched with compounds such as pentane, hexane, toluene, octane, and p-xylene) was exposed to prolonged evaporation in a metal tray at controlled wind speeds. Bulk samples of the spill layer were taken at specific time intervals and their composition was determined by gas chromatographic analysis. The results are compared to those from a theoretical model and to gas stripping experiments. The model is based on the evaporative flux equation incorporating Raoult's law; inputs are the air-oil partition coefficient for each component and the composition of the synthetic oil on a volume and mole fraction basis. The study has enabled the formation of vertical concentration profiles to be examined and liquid phase mass transfer coefficients to be estimated. The results imply that liquid-phase resistance effects are likely to be important for the most volatile components. Contaminated areas may thus continue to be hazardous, even though model predictions indicate otherwise. 7 refs., 3 figs., 2 tabs

  18. Predicting Formation Damage in Aquifer Thermal Energy Storage Systems Utilizing a Coupled Hydraulic-Thermal-Chemical Reservoir Model

    Science.gov (United States)

    Müller, Daniel; Regenspurg, Simona; Milsch, Harald; Blöcher, Guido; Kranz, Stefan; Saadat, Ali

    2014-05-01

    In aquifer thermal energy storage (ATES) systems, large amounts of energy can be stored by injecting hot water into deep or intermediate aquifers. In a seasonal production-injection cycle, water is circulated through a system comprising the porous aquifer, a production well, a heat exchanger and an injection well. This process involves large temperature and pressure differences, which shift chemical equilibria and introduce or amplify mechanical processes. Rock-fluid interaction such as dissolution and precipitation or migration and deposition of fine particles will affect the hydraulic properties of the porous medium and may lead to irreversible formation damage. In consequence, these processes determine the long-term performance of the ATES system and need to be predicted to ensure the reliability of the system. However, high temperature and pressure gradients and dynamic feedback cycles pose challenges on predicting the influence of the relevant processes. Within this study, a reservoir model comprising a coupled hydraulic-thermal-chemical simulation was developed based on an ATES demonstration project located in the city of Berlin, Germany. The structural model was created with Petrel, based on data available from seismic cross-sections and wellbores. The reservoir simulation was realized by combining the capabilities of multiple simulation tools. For the reactive transport model, COMSOL Multiphysics (hydraulic-thermal) and PHREEQC (chemical) were combined using the novel interface COMSOL_PHREEQC, developed by Wissmeier & Barry (2011). It provides a MATLAB-based coupling interface between both programs. Compared to using COMSOL's built-in reactive transport simulator, PHREEQC additionally calculates adsorption and reaction kinetics and allows the selection of different activity coefficient models in the database. The presented simulation tool will be able to predict the most important aspects of hydraulic, thermal and chemical transport processes relevant to

  19. Exploring energy loss by vector flow mapping in children with ventricular septal defect: Pathophysiologic significance.

    Science.gov (United States)

    Honda, Takashi; Itatani, Keiichi; Takanashi, Manabu; Kitagawa, Atsushi; Ando, Hisashi; Kimura, Sumito; Oka, Norihiko; Miyaji, Kagami; Ishii, Masahiro

    2017-10-01

    Vector flow mapping is a novel echocardiographic flow visualization method, and it has enabled us to quantitatively evaluate the energy loss in the left ventricle (intraventricular energy loss). Although intraventricular energy loss is assumed to be a part of left ventricular workload itself, it is unclear what this parameter actually represents. The aim of the present study was to elucidate the characteristics of intraventricular energy loss. We enrolled 26 consecutive children with ventricular septal defect (VSD). On echocardiography vector flow mapping, intraventricular energy loss was measured in the apical 3-chamber view. We measured peak energy loss and averaged energy loss in the diastolic and systolic phases, and subsequently compared these parameters with catheterization parameters and serum brain natrium peptide (BNP) level. Diastolic, peak, and systolic energy loss were strongly and positively correlated with right ventricular systolic pressure (r=0.76, 0.68, and 0.56, p<0.0001, = 0.0001, and 0.0029, respectively) and right ventricular end diastolic pressure (r=0.55, 0.49, and 0.49, p=0.0038, 0.0120, and 0.0111, respectively). In addition, diastolic, peak, and systolic energy loss were significantly correlated with BNP (r=0.75, 0.69 and 0.49, p<0.0001, < 0.0001, and=0.0116, respectively). In children with VSD, elevated right ventricular pressure is one of the factors that increase energy loss in the left ventricle. The results of the present study encourage further studies in other study populations to elucidate the characteristics of intraventricular energy loss for its possible clinical application. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Revisiting the definition of the electronic chemical potential, chemical hardness, and softness at finite temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Franco-Pérez, Marco, E-mail: qimfranco@hotmail.com, E-mail: jlgm@xanum.uam.mx [Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco 186, México D. F. 09340 (Mexico); Department of Chemistry, McMaster University, Hamilton, Ontario L8S 4M1 (Canada); Gázquez, José L., E-mail: qimfranco@hotmail.com, E-mail: jlgm@xanum.uam.mx [Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco 186, México D. F. 09340 (Mexico); Ayers, Paul W. [Department of Chemistry, McMaster University, Hamilton, Ontario L8S 4M1 (Canada); Vela, Alberto [Departamento de Química, Centro de Investigación y de Estudios Avanzados (Cinvestav), Av. Instituto Politécnico Nacional 2508, México D. F. 07360 (Mexico)

    2015-10-21

    We extend the definition of the electronic chemical potential (μ{sub e}) and chemical hardness (η{sub e}) to finite temperatures by considering a reactive chemical species as a true open system to the exchange of electrons, working exclusively within the framework of the grand canonical ensemble. As in the zero temperature derivation of these descriptors, the response of a chemical reagent to electron-transfer is determined by the response of the (average) electronic energy of the system, and not by intrinsic thermodynamic properties like the chemical potential of the electron-reservoir which is, in general, different from the electronic chemical potential, μ{sub e}. Although the dependence of the electronic energy on electron number qualitatively resembles the piecewise-continuous straight-line profile for low electronic temperatures (up to ca. 5000 K), the introduction of the temperature as a free variable smoothens this profile, so that derivatives (of all orders) of the average electronic energy with respect to the average electron number exist and can be evaluated analytically. Assuming a three-state ensemble, well-known results for the electronic chemical potential at negative (−I), positive (−A), and zero values of the fractional charge (−(I + A)/2) are recovered. Similarly, in the zero temperature limit, the chemical hardness is formally expressed as a Dirac delta function in the particle number and satisfies the well-known reciprocity relation with the global softness.

  1. Argonne Chemical Sciences & Engineering - Awards Home

    Science.gov (United States)

    Argonne National Laboratory Chemical Sciences & Engineering DOE Logo CSE Home About CSE Argonne Home > Chemical Sciences & Engineering > Fundamental Interactions Catalysis & Energy Computational Postdoctoral Fellowships Contact Us CSE Intranet Awards Argonne's Chemical Sciences and

  2. Chemical Sciences Division: Annual report 1992

    International Nuclear Information System (INIS)

    1993-10-01

    The Chemical Sciences Division (CSD) is one of twelve research Divisions of the Lawrence Berkeley Laboratory, a Department of Energy National Laboratory. The CSD is composed of individual groups and research programs that are organized into five scientific areas: Chemical Physics, Inorganic/Organometallic Chemistry, Actinide Chemistry, Atomic Physics, and Physical Chemistry. This report describes progress by the CSD for 1992. Also included are remarks by the Division Director, a description of work for others (United States Office of Naval Research), and appendices of the Division personnel and an index of investigators. Research reports are grouped as Fundamental Interactions (Photochemical and Radiation Sciences, Chemical Physics, Atomic Physics) or Processes and Techniques (Chemical Energy, Heavy-Element Chemistry, and Chemical Engineering Sciences)

  3. [The criterion prognostic significance of examinations of chemiluminescence of oral fluid under impact of chemical pollutants of manufacture of rubber and rubber technical production].

    Science.gov (United States)

    Galiullina, E F; Valiev, A v; Kamilov, R F; Shakirov, D F; Buliakov, P T

    2013-12-01

    The article presents the results of studies concerning the effect of unfavorable factors of chemical nature on fluid of oral cavity among workers of the Ufa plant of elastomer materials, articles and structures. It is established that in persons contacting with chemical pollutants of manufacture of rubber and rubber technical production the indicators of chemiluminescence of saliva fluid are significantly expressed and depend on professional standing.

  4. Evaluation of Dynamic Reversible Chemical Energy Storage with High Temperature Electrolysis

    OpenAIRE

    McVay, Derek Joseph

    2017-01-01

    Renewable power generation is intermittent and non-dispatchable, but is steadily increasing in penetration due to lower costs associated with installation and demand for clean power generation. Without significant energy storage available to a grid with high renewable penetration, a mismatch between the load and the power available can. Furthermore, advanced high temperature nuclear reactors offer clean power generation, but only at a baseload operation scenario due to the significant thermal...

  5. Combined Docking with Classical Force Field and Quantum Chemical Semiempirical Method PM7

    Directory of Open Access Journals (Sweden)

    A. V. Sulimov

    2017-01-01

    Full Text Available Results of the combined use of the classical force field and the recent quantum chemical PM7 method for docking are presented. Initially the gridless docking of a flexible low molecular weight ligand into the rigid target protein is performed with the energy function calculated in the MMFF94 force field with implicit water solvent in the PCM model. Among several hundred thousand local minima, which are found in the docking procedure, about eight thousand lowest energy minima are chosen and then energies of these minima are recalculated with the recent quantum chemical semiempirical PM7 method. This procedure is applied to 16 test complexes with different proteins and ligands. For almost all test complexes such energy recalculation results in the global energy minimum configuration corresponding to the ligand pose near the native ligand position in the crystalized protein-ligand complex. A significant improvement of the ligand positioning accuracy comparing with MMFF94 energy calculations is demonstrated.

  6. Combined Docking with Classical Force Field and Quantum Chemical Semiempirical Method PM7.

    Science.gov (United States)

    Sulimov, A V; Kutov, D C; Katkova, E V; Sulimov, V B

    2017-01-01

    Results of the combined use of the classical force field and the recent quantum chemical PM7 method for docking are presented. Initially the gridless docking of a flexible low molecular weight ligand into the rigid target protein is performed with the energy function calculated in the MMFF94 force field with implicit water solvent in the PCM model. Among several hundred thousand local minima, which are found in the docking procedure, about eight thousand lowest energy minima are chosen and then energies of these minima are recalculated with the recent quantum chemical semiempirical PM7 method. This procedure is applied to 16 test complexes with different proteins and ligands. For almost all test complexes such energy recalculation results in the global energy minimum configuration corresponding to the ligand pose near the native ligand position in the crystalized protein-ligand complex. A significant improvement of the ligand positioning accuracy comparing with MMFF94 energy calculations is demonstrated.

  7. New secondary energy systems

    International Nuclear Information System (INIS)

    Schulten, R.

    1977-01-01

    As an introduction, the FRG's energy industry situation is described, secondary energy systems to be taken into consideration are classified, and appropriate market requirements are analyzed. Dealt with is district heating, i.e. the direct transport of heat by means of circulating media, and long-distance energy, i.e. the long-distance energy transport by means of chemical conversion in closed- or open-cycle systems. In closed-cycle systems heat is transported in the form of chemical latent energy. In contrast to this, chemical energy is transported in open-cycle systems in the form of fuel gases produced by coal gasification or by thermochemical water splitting. (GG) [de

  8. Dissipation, generalized free energy, and a self-consistent nonequilibrium thermodynamics of chemically driven open subsystems.

    Science.gov (United States)

    Ge, Hao; Qian, Hong

    2013-06-01

    Nonequilibrium thermodynamics of a system situated in a sustained environment with influx and efflux is usually treated as a subsystem in a larger, closed "universe." A question remains with regard to what the minimally required description for the surrounding of such an open driven system is so that its nonequilibrium thermodynamics can be established solely based on the internal stochastic kinetics. We provide a solution to this problem using insights from studies of molecular motors in a chemical nonequilibrium steady state (NESS) with sustained external drive through a regenerating system or in a quasisteady state (QSS) with an excess amount of adenosine triphosphate (ATP), adenosine diphosphate (ADP), and inorganic phosphate (Pi). We introduce the key notion of minimal work that is needed, W(min), for the external regenerating system to sustain a NESS (e.g., maintaining constant concentrations of ATP, ADP and Pi for a molecular motor). Using a Markov (master-equation) description of a motor protein, we illustrate that the NESS and QSS have identical kinetics as well as the second law in terms of the same positive entropy production rate. The heat dissipation of a NESS without mechanical output is exactly the W(min). This provides a justification for introducing an ideal external regenerating system and yields a free-energy balance equation between the net free-energy input F(in) and total dissipation F(dis) in an NESS: F(in) consists of chemical input minus mechanical output; F(dis) consists of dissipative heat, i.e. the amount of useful energy becoming heat, which also equals the NESS entropy production. Furthermore, we show that for nonstationary systems, the F(dis) and F(in) correspond to the entropy production rate and housekeeping heat in stochastic thermodynamics and identify a relative entropy H as a generalized free energy. We reach a new formulation of Markovian nonequilibrium thermodynamics based on only the internal kinetic equation without further

  9. PHYSICO-CHEMICAL PROPERTIES OF THE SOLID AND LIQUID WASTE PRODUCTS FROM THE HEAVY METAL CONTAMINATED ENERGY CROPS GASIFICATION PROCESS

    Directory of Open Access Journals (Sweden)

    Sebastian Werle

    2017-02-01

    Full Text Available The paper presents the results of basic physico-chemical properties of solid (ash and liquid (tar waste products of the gasification process of the heavy metal contaminated energy crops. The gasification process has carried out in a laboratory fixed bed reactor. Three types of energy crops: Miscanthus x giganteus, Sida hermaphrodita and Spartina Pectinata were used. The experimental plots were established on heavy metal contaminated arable land located in Bytom (southern part of Poland, Silesian Voivodship.

  10. Chemical Biodynamics Division. Annual report 1979

    Energy Technology Data Exchange (ETDEWEB)

    1980-08-01

    The Chemical Biodynamics Division of LBL continues to conduct basic research on the dynamics of living cells and on the interaction of radiant energy with organic matter. Many aspects of this basic research are related to problems of environmental and health effects of fossil fuel combustion, solar energy conversion and chemical/ viral carcinogenesis.

  11. Development of polyparameter linear free energy relationship models for octanol-air partition coefficients of diverse chemicals.

    Science.gov (United States)

    Jin, Xiaochen; Fu, Zhiqiang; Li, Xuehua; Chen, Jingwen

    2017-03-22

    The octanol-air partition coefficient (K OA ) is a key parameter describing the partition behavior of organic chemicals between air and environmental organic phases. As the experimental determination of K OA is costly, time-consuming and sometimes limited by the availability of authentic chemical standards for the compounds to be determined, it becomes necessary to develop credible predictive models for K OA . In this study, a polyparameter linear free energy relationship (pp-LFER) model for predicting K OA at 298.15 K and a novel model incorporating pp-LFERs with temperature (pp-LFER-T model) were developed from 795 log K OA values for 367 chemicals at different temperatures (263.15-323.15 K), and were evaluated with the OECD guidelines on QSAR model validation and applicability domain description. Statistical results show that both models are well-fitted, robust and have good predictive capabilities. Particularly, the pp-LFER model shows a strong predictive ability for polyfluoroalkyl substances and organosilicon compounds, and the pp-LFER-T model maintains a high predictive accuracy within a wide temperature range (263.15-323.15 K).

  12. Assessment of chemical loadings to Newark Bay, New Jersey from petroleum and hazardous chemical accidents occurring from 1986 to 1991

    International Nuclear Information System (INIS)

    Gunster, D.G.; Bonnevie, N.L.; Gillis, C.A.; Wenning, R.J.

    1993-01-01

    Newark Bay, New Jersey, is particularly vulnerable to ecological damage from accidental petroleum and chemical spills due to the enclosed nature of the bay and the large volume of chemical and petroleum commerce within the region. A review of the New Jersey Department of Environmental Protection and Energy's database of hazardous chemical spills in New Jersey waterways was conducted to determine the frequency and volume of chemical and petroleum spills in Newark Bay and its major tributaries. Accidents reported from 1986 to 1991 were extracted from the database and summarized. The compilation of records indicated that 1400 incidents, resulting in the release of more than 18 million gallons of hazardous materials to the estuary had been reported to state officials. The bulk of the chemicals released to the aquatic environment were petroleum products, specifically No. 2 Fuel Oil (4,636,512 gallons) and No. 6 Fuel Oil (12,600,683 gallons). The majority of the reported incidents occurred in the Arthur Kill and its tributaries. The results indicate that accidental discharge of petroleum and other hazardous chemicals to Newark Bay represents a significant ongoing source of chemical pollution

  13. Chemical approaches toward graphene-based nanomaterials and their applications in energy-related areas.

    Science.gov (United States)

    Luo, Bin; Liu, Shaomin; Zhi, Linjie

    2012-03-12

    A 'gold rush' has been triggered all over the world for exploiting the possible applications of graphene-based nanomaterials. For this purpose, two important problems have to be solved; one is the preparation of graphene-based nanomaterials with well-defined structures, and the other is the controllable fabrication of these materials into functional devices. This review gives a brief overview of the recent research concerning chemical and thermal approaches toward the production of well-defined graphene-based nanomaterials and their applications in energy-related areas, including solar cells, lithium ion secondary batteries, supercapacitors, and catalysis. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. 78 FR 23184 - Proposed Significant New Use Rules on Certain Chemical Substances

    Science.gov (United States)

    2013-04-18

    .... Potentially affected entities may include: Manufacturers, importers, or processors of one or more subject... manufacturing and processing of a chemical substance. The extent to which a use changes the type or form of... information). CFR citation assigned in the regulatory text section of this proposed rule. The regulatory text...

  15. Effect of chemical treatment of Kevlar fibers on mechanical interfacial properties of composites.

    Science.gov (United States)

    Park, Soo-Jin; Seo, Min-Kang; Ma, Tae-Jun; Lee, Douk-Rae

    2002-08-01

    In this work, the effects of chemical treatment on Kevlar 29 fibers have been studied in a composite system. The surface characteristics of Kevlar 29 fibers were characterized by pH, acid-base value, X-ray photoelectron spectroscopy (XPS), and FT-IR. The mechanical interfacial properties of the final composites were studied by interlaminar shear strength (ILSS), critical stress intensity factor (K(IC)), and specific fracture energy (G(IC)). Also, impact properties of the composites were investigated in the context of differentiating between initiation and propagation energies and ductile index (DI) along with maximum force and total energy. As a result, it was found that chemical treatment with phosphoric acid solution significantly affected the degree of adhesion at interfaces between fibers and resin matrix, resulting in improved mechanical interfacial strength in the composites. This was probably due to the presence of chemical polar groups on Kevlar surfaces, leading to an increment of interfacial binding force between fibers and matrix in a composite system.

  16. Simulant molecules with trivalent or pentavalent phosphorus atoms: bond dissociation energies and other thermodynamic and structural properties from quantum chemical models.

    Science.gov (United States)

    Hahn, David K; RaghuVeer, Krishans S; Ortiz, J V

    2011-08-04

    The CBS-QB3 and G4 thermochemical models have been used to generate energetic, structural, and spectroscopic data on a set of molecules with trivalent or pentavalent phosphorus atoms that can serve as simulants of chemical warfare agents. Based on structural data, the conformational stabilities of these molecules are explained in terms of the anomeric interaction within the OPOC and OPSC fragments. For those cases where experimental data are available, comparisons have been made between calculated and previously reported vibrational frequencies. All varieties of bond dissociation energies have been examined except those for C-H and P═O bonds. In trivalent phosphorus molecules, the O-C and S-C bonds have the lowest dissociation energies. In the pentavalent phosphorus set, the S-C bonds, followed by P-S bonds, have the lowest dissociation energies. In the fluorinated simulant molecules, the P-F bond is strongest, and the P-C or O-C bonds are weakest. © 2011 American Chemical Society

  17. Modeling of chemical exergy of agricultural biomass using improved general regression neural network

    International Nuclear Information System (INIS)

    Huang, Y.W.; Chen, M.Q.; Li, Y.; Guo, J.

    2016-01-01

    A comprehensive evaluation for energy potential contained in agricultural biomass was a vital step for energy utilization of agricultural biomass. The chemical exergy of typical agricultural biomass was evaluated based on the second law of thermodynamics. The chemical exergy was significantly influenced by C and O elements rather than H element. The standard entropy of the samples also was examined based on their element compositions. Two predicted models of the chemical exergy were developed, which referred to a general regression neural network model based upon the element composition, and a linear model based upon the high heat value. An auto-refinement algorithm was firstly developed to improve the performance of regression neural network model. The developed general regression neural network model with K-fold cross-validation had a better ability for predicting the chemical exergy than the linear model, which had lower predicted errors (±1.5%). - Highlights: • Chemical exergies of agricultural biomass were evaluated based upon fifty samples. • Values for the standard entropy of agricultural biomass samples were calculated. • A linear relationship between chemical exergy and HHV of samples was detected. • An improved GRNN prediction model for the chemical exergy of biomass was developed.

  18. Chemical Recovery of Energy in a Combined MHD-Steam Power Station; Recuperation Chimique d'Energie dans une Centrale Combinee MHD-Vapeur

    Energy Technology Data Exchange (ETDEWEB)

    Carrasse, J. [Societe Alsthom, Paris (France)

    1966-12-15

    This paper studies the energetic and chemical aspects of the operation of a combined MHD-steam power station using the combustion gases from a fossil fuel in an open circuit with potassium seeding. It describes a process for the recovery of energy by endothermal chemical gasification of the fuel. The author first recalls briefly the thermal and chemical conditions to be met throughout the length of the gas flow and points out that it is vital to ensure as much recycling of energy as possible from below to above the MHD generator, at the expense of the conventional power station located further on in the system. The paper then describes the various processes intended to ensure the thermal operating conditions required, including preheating of the air, oxygen enrichment etc. The last part of the paper, which goes into greater detail while taking the foregoing considerations into account, explains the principle and various feasible methods of application of a process at present under study and experimentation. In this process some of the heat energy of the gases discharged from the MHD duct is recycled, partly in chemical form and partly as a limited amount of gas preheat. For this purpose the fuel, mixed with oxidizing agents such as water vapour or carbon dioxide, is gasified, at about 950 Degree-Sign C and after a series of collectively endothermal reactions, into a gas composed mainly of carbon monoxide, hydrogen, nitrogen and excess water vapour and carbon dioxide. It is thus possible to avoid the employment of very high temperature heat exchangers working with seeded gas. The paper stresses the extraction of seeding material, which is simple and can here take place to a great extent in liquid form (fused salts) due to the fact that operation is in the temperature range around 1000 Degree-Sign C. Consideration is finally given to the use after treatment (cooling, extraction of seeding material, absorption of excess H{sub 2}O and CO{sub 2}, compression and re

  19. Lignocellulosic Biomass Transformations via Greener Oxidative Pretreatment Processes: Access to Energy and Value-Added Chemicals

    Directory of Open Access Journals (Sweden)

    Walter Den

    2018-04-01

    Full Text Available Anthropogenic climate change, principally induced by the large volume of carbon dioxide emission from the global economy driven by fossil fuels, has been observed and scientifically proven as a major threat to civilization. Meanwhile, fossil fuel depletion has been identified as a future challenge. Lignocellulosic biomass in the form of organic residues appears to be the most promising option as renewable feedstock for the generation of energy and platform chemicals. As of today, relatively little bioenergy comes from lignocellulosic biomass as compared to feedstock such as starch and sugarcane, primarily due to high cost of production involving pretreatment steps required to fragment biomass components via disruption of the natural recalcitrant structure of these rigid polymers; low efficiency of enzymatic hydrolysis of refractory feedstock presents a major challenge. The valorization of lignin and cellulose into energy products or chemical products is contingent on the effectiveness of selective depolymerization of the pretreatment regime which typically involve harsh pyrolytic and solvothermal processes assisted by corrosive acids or alkaline reagents. These unselective methods decompose lignin into many products that may not be energetically or chemically valuable, or even biologically inhibitory. Exploring milder, selective and greener processes, therefore, has become a critical subject of study for the valorization of these materials in the last decade. Efficient alternative activation processes such as microwave- and ultrasound irradiation are being explored as replacements for pyrolysis and hydrothermolysis, while milder options such as advanced oxidative and catalytic processes should be considered as choices to harsher acid and alkaline processes. Herein, we critically abridge the research on chemical oxidative techniques for the pretreatment of lignocellulosics with the explicit aim to rationalize the objectives of the biomass

  20. Lignocellulosic Biomass Transformations via Greener Oxidative Pretreatment Processes: Access to Energy and Value-Added Chemicals

    Science.gov (United States)

    Den, Walter; Sharma, Virender K.; Lee, Mengshan; Nadadur, Govind; Varma, Rajender S.

    2018-01-01

    Anthropogenic climate change, principally induced by the large volume of carbon dioxide emission from the global economy driven by fossil fuels, has been observed and scientifically proven as a major threat to civilization. Meanwhile, fossil fuel depletion has been identified as a future challenge. Lignocellulosic biomass in the form of organic residues appears to be the most promising option as renewable feedstock for the generation of energy and platform chemicals. As of today, relatively little bioenergy comes from lignocellulosic biomass as compared to feedstock such as starch and sugarcane, primarily due to high cost of production involving pretreatment steps required to fragment biomass components via disruption of the natural recalcitrant structure of these rigid polymers; low efficiency of enzymatic hydrolysis of refractory feedstock presents a major challenge. The valorization of lignin and cellulose into energy products or chemical products is contingent on the effectiveness of selective depolymerization of the pretreatment regime which typically involve harsh pyrolytic and solvothermal processes assisted by corrosive acids or alkaline reagents. These unselective methods decompose lignin into many products that may not be energetically or chemically valuable, or even biologically inhibitory. Exploring milder, selective and greener processes, therefore, has become a critical subject of study for the valorization of these materials in the last decade. Efficient alternative activation processes such as microwave- and ultrasound irradiation are being explored as replacements for pyrolysis and hydrothermolysis, while milder options such as advanced oxidative and catalytic processes should be considered as choices to harsher acid and alkaline processes. Herein, we critically abridge the research on chemical oxidative techniques for the pretreatment of lignocellulosics with the explicit aim to rationalize the objectives of the biomass pretreatment step and the

  1. Wave energy budget analysis in the Earth’s radiation belts uncovers a missing energy

    Science.gov (United States)

    Artemyev, A.V.; Agapitov, O.V.; Mourenas, D.; Krasnoselskikh, V.V.; Mozer, F.S.

    2015-01-01

    Whistler-mode emissions are important electromagnetic waves pervasive in the Earth’s magnetosphere, where they continuously remove or energize electrons trapped by the geomagnetic field, controlling radiation hazards to satellites and astronauts and the upper-atmosphere ionization or chemical composition. Here, we report an analysis of 10-year Cluster data, statistically evaluating the full wave energy budget in the Earth’s magnetosphere, revealing that a significant fraction of the energy corresponds to hitherto generally neglected very oblique waves. Such waves, with 10 times smaller magnetic power than parallel waves, typically have similar total energy. Moreover, they carry up to 80% of the wave energy involved in wave–particle resonant interactions. It implies that electron heating and precipitation into the atmosphere may have been significantly under/over-valued in past studies considering only conventional quasi-parallel waves. Very oblique waves may turn out to be a crucial agent of energy redistribution in the Earth’s radiation belts, controlled by solar activity. PMID:25975615

  2. Energy efficiency in Finland

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-12-31

    In Finland a significant portion of energy originates from renewable sources and cogeneration, that is, combined production of electricity and heat. Combined heat and electricity production is typical in the Finnish industry and in the district heating sector. One third of all electricity and 15 % of district heating is produced by cogeneration. District heating schemes provide about 45 % of heat in buildings. Overall efficiency in industry exceeds 80 % and is even higher in the district heating sector. In 1996 25 % of Finland`s primary energy was produced from renewable energy sources which is a far higher proportion than the European Union average of 6 %. Finland is one of the leading users of bioenergy. Biomass including peat, provides approximately 50 % of fuel consumed by industry and is utilised in significant amounts in combined heat and electricity plants. For example, in the pulp and paper industry, by burning black liquor and bark during the production of chemical pulp, significant amounts of energy are generated and used in paper mills. Conservation and efficient use of energy are central to the Finnish Government`s Energy Strategy. The energy conservation programme aims to increase energy efficiency by 10-20 % by the year 2010. Energy saving technology plays a key role in making the production and use of energy more efficient. In 1996 of FIM 335 million (ECU 57 million) spent on funding research, FIM 120 million (ECU 20 million) was spent on research into energy conservation

  3. Quantum Chemical: New name and focus for National Distillers

    Energy Technology Data Exchange (ETDEWEB)

    Reisch, M.S.

    1988-03-14

    This article explains why the National Distillers and Chemical Corporation has narrowed its focus on petrochemicals and energy. At one time the company had diversified into wine and spirits, insurance, metals, chemicals and energy. However, the company decided to reexamine where its commitments should be. It decided to stick with chemicals and energy because it could be a leader in these fields and not in its other interests. The article explains how the new company, Quantum Chemical, is doing and where it is headed in the future.

  4. Technical assessment of the significance of Wigner energy for disposal of graphite wastes from the Windscale Piles

    International Nuclear Information System (INIS)

    Guppy, R.M.; Wisbey, S.J.; McCarthy, J.

    2001-01-01

    Plans to dismantle the core of the Windscale Pile 1 reactor, and to package the waste for interim storage and eventual disposal, are well advanced. UK Nirex Limited, currently responsible for identifying and developing a site primarily for disposal of the wide range of intermediate level wastes, is addressing the suitability of the waste from Windscale Pile 1, for transport to, and disposal at, a deep waste repository. To support the decommissioning of Windscale Pile 1, information on the condition of the graphite has been sought. Despite the fire in 1957, recent sampling of regions of the core has shown that much of the graphite still contains significant residual Wigner energy. Unless it can be shown that Wigner energy will not be released at a significant rate during operations such as waste packaging or handling of the package, or after disposal, future safety cases may be undermined. A model for the release of Wigner energy has been developed, which describes the stored energy as a set of defects with different activation energies. Initial values of stored energy are attributed to each member of the set, and the energy is released using first order decay processes. By appropriate selection of the range of activation energies and stored energies attributable to each population of defects, experimentally determined releases of stored energy as a function of temperature can be reproduced by the model. Within the disposal environment, the packages will be subject to modest heating from external sources, including the host rocks, radioactive decay, corrosion processes and heat from curing of backfill materials in the disposal vaults. The Wigner energy release model has been used in combination with finite element thermal modelling to assess the temperature evolution of stacks of waste packages located within hypothetical disposal vaults. It has also been used to assess the response of individual waste packages exposed to fires. This paper provides a summary of the

  5. Biogeochemical aspects of aquifer thermal energy storage

    NARCIS (Netherlands)

    Brons, H.J.

    1992-01-01

    During the process of aquifer thermal energy storage the in situ temperature of the groundwater- sediment system may fluctuate significantly. As a result the groundwater characteristics can be considerably affected by a variety of chemical, biogeochemical and microbiological

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

    International Nuclear Information System (INIS)

    1996-01-01

    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

  7. NIF: Impacts of chemical accidents and comparison of chemical/radiological accident approaches

    International Nuclear Information System (INIS)

    Lazaro, M.A.; Policastro, A.J.; Rhodes, M.

    1996-01-01

    The US Department of Energy (DOE) proposes to construct and operate the National Ignition Facility (NIF). The goals of the NIF are to (1) achieve fusion ignition in the laboratory for the first time by using inertial confinement fusion (ICF) technology based on an advanced-design neodymium glass solid-state laser, and (2) conduct high-energy-density experiments in support of national security and civilian applications. The primary focus of this paper is worker-public health and safety issues associated with postulated chemical accidents during the operation of NIF. The key findings from the accident analysis will be presented. Although NIF chemical accidents will be emphasized, the important differences between chemical and radiological accident analysis approaches and the metrics for reporting results will be highlighted. These differences are common EIS facility and transportation accident assessments

  8. Modular Chemical Process Intensification: A Review.

    Science.gov (United States)

    Kim, Yong-Ha; Park, Lydia K; Yiacoumi, Sotira; Tsouris, Costas

    2017-06-07

    Modular chemical process intensification can dramatically improve energy and process efficiencies of chemical processes through enhanced mass and heat transfer, application of external force fields, enhanced driving forces, and combinations of different unit operations, such as reaction and separation, in single-process equipment. These dramatic improvements lead to several benefits such as compactness or small footprint, energy and cost savings, enhanced safety, less waste production, and higher product quality. Because of these benefits, process intensification can play a major role in industrial and manufacturing sectors, including chemical, pulp and paper, energy, critical materials, and water treatment, among others. This article provides an overview of process intensification, including definitions, principles, tools, and possible applications, with the objective to contribute to the future development and potential applications of modular chemical process intensification in industrial and manufacturing sectors. Drivers and barriers contributing to the advancement of process intensification technologies are discussed.

  9. Research in the chemical sciences: Summaries of FY 1994

    Energy Technology Data Exchange (ETDEWEB)

    1994-12-01

    This summary book is published annually on research supported by DOE`s Division of Chemical Sciences in the Office of Energy Research. Research in photochemical and radiation sciences, chemical physics, atomic physics, chemical energy, separations and analysis, heavy element chemistry, chemical engineering sciences, and advanced batteries is arranged according to national laboratories, offsite institutions, and small businesses. Goal is to add to the knowledge base on which existing and future efficient and safe energy technologies can evolve. The special facilities used in DOE laboratories are described. Indexes are provided (topics, institution, investigator).

  10. Chemically induced aneuploidy in mammalian cells: mechanisms and biological significance in cancer

    Energy Technology Data Exchange (ETDEWEB)

    Oshimura, M.; Barrett, J.C.

    1986-01-01

    A literature review with over 200 references examines the growing body of evidence from human and animal cancer cytogenetics that aneuploidy is an important chromosome change in carcinogenesis. Evidence from in vitro cell transformation studies supports the idea that aneuploidy has a direct effect on the conversion of a normal cell to a preneoplastic or malignant cell. Induction of an aneuploid state in a preneoplastic or neoplastic cell could have any of the following four biological effects: a change in gene dosage, a change in gene balance, expression of a recessive mutation, or a change in genetic instability (which could secondarily lead to neoplasia). There are a number of possible mechanisms by which chemicals might induce aneuploidy, including effects on microtubules, damage to essential elements for chromosome function reduction in chromosome condensation or pairing, induction of chromosome interchanges, unresolved recombination structures, increased chromosome stickiness, damage to centrioles, impairment of chromosome alignment ionic alterations during mitosis, damage to the nuclear membrane, and a physical disruption of chromosome segregation. Therefore, a number of different targets exist for chemically induced aneuploidy.

  11. Overall efficiencies for conversion of solar energy to a chemical fuel

    Science.gov (United States)

    Fish, J. D.

    A complete and consistent scheme for determining the overall efficiency of a generalized process for the conversion of solar energy into a chemical fuel (e.g. hydrogen) is developed and applied to seven conversion processes: thermal, thermochemical, photovoltaic, photogalvanic, photoelectrolysis, photosynthesis and photochemical conversion. It is demonstrated that the overall efficiency of each of these processes is determined by ten common factors: maximum theoretical efficiency, inherent absorption losses, inherent internal losses, rate limiting effects, reflection losses, transmission losses, coverage losses, system construction requirements, parasitic losses and harvesting and conversion losses. Both state-of-the-art and optimistic values are assigned to each factor for each of the seven conversion processes. State-of-the-art overall efficiencies ranged from 5% for thermal conversion down to essentially zero for thermochemical. Optimistic values in the range of about 10 to 15% are calculated for several of the processes.

  12. Summaries of FY 1982 research in the chemical sciences

    Energy Technology Data Exchange (ETDEWEB)

    None

    1982-09-01

    The purpose of this booklet is to help those interested in research supported by the Department of Energy's Division of Chemical Sciences, which is one of six Divisions of the Office of Basic Energy Sciences in the Office of Energy Research. These summaries are intended to provide a rapid means for becoming acquainted with the Chemical Sciences program to members of the scientific and technological public and interested persons in the Legislative and Executive Branches of the Government. Areas of research supported by the Division are to be seen in the section headings, the index and the summaries themselves. Energy technologies which may be advanced by use of the basic knowledge discovered in this program can be seen in the index and again (by reference) in the summaries. The table of contents lists the following: photochemical and radiation sciences; chemical physics; atomic physics; chemical energy; separation and analysis; chemical engineering sciences; offsite contracts; equipment funds; special facilities; topical index; institutional index for offsite contracts; investigator index.

  13. Summaries of FY 1982 research in the chemical sciences

    International Nuclear Information System (INIS)

    1982-09-01

    The purpose of this booklet is to help those interested in research supported by the Department of Energy's Division of Chemical Sciences, which is one of six Divisions of the Office of Basic Energy Sciences in the Office of Energy Research. These summaries are intended to provide a rapid means for becoming acquainted with the Chemical Sciences program to members of the scientific and technological public and interested persons in the Legislative and Executive Branches of the Government. Areas of research supported by the Division are to be seen in the section headings, the index and the summaries themselves. Energy technologies which may be advanced by use of the basic knowledge discovered in this program can be seen in the index and again (by reference) in the summaries. The table of contents lists the following: photochemical and radiation sciences; chemical physics; atomic physics; chemical energy; separation and analysis; chemical engineering sciences; offsite contracts; equipment funds; special facilities; topical index; institutional index for offsite contracts; investigator index

  14. Conformational analysis of the chemical shifts for molecules containing diastereotopic methylene protons

    Science.gov (United States)

    Borowski, Piotr

    2012-01-01

    Quantum chemistry SCF/GIAO calculations were carried out on a set of compounds containing diastereotopic protons. Five molecules, including recently synthesized 1,3-di(2,3-epoxypropoxy)benzene, containing the chiral or pro-chiral center and the neighboring methylene group, were chosen. The rotational averages (i.e. normalized averages with respect to the rotation about the torsional angle τ with the exponential energy weight at temperature T) calculated individually for each of the methylene protons in 1,3-di(2,3-epoxypropoxy)benzene differ by ca. 0.6 ppm, which is significantly less than the value calculated for the lowest energy conformer. This value turned out to be low enough to guarantee the proper ordering of theoretical chemical shifts, supporting the interpretation of the 1H NMR spectrum of this important compound. The rotational averages of chemical shifts for methylene protons for a given type of conformer are shown to be essentially equal to the Boltzmann averages (here, the population-weighted averages for the individual conformers representing minima on the E( τ) cross-section). The calculated Boltzmann averages in the representative conformational space may exhibit completely different ordering as compared to the chemical shifts calculated for the lowest-energy conformer. This is especially true in the case of molecules, for which no significant steric effects are present. In this case, only Boltzmann averages account for the experimental pattern of proton signals. In addition, better overall agreement with experiment (lower value of the root-mean-square deviation between calculated and measured chemical shifts) is typically obtained when Boltzmann averages are used.

  15. The significance of renewable energy use for economic output and environmental protection: evidence from the Next 11 developing economies.

    Science.gov (United States)

    Paramati, Sudharshan Reddy; Sinha, Avik; Dogan, Eyup

    2017-05-01

    Increasing economic activities in developing economies raise demand for energy mainly sourced from conventional sources. The consumption of more conventional energy will have a significant negative impact on the environment. Therefore, attention of policy makers has recently shifted towards the promotion of renewable energy generation and uses across economic activities to ensure low carbon economy. Given the recent scenario, in this paper, we aim to examine the role of renewable energy consumption on the economic output and CO 2 emissions of the next fastest developing economies of the world. The study employs several robust panel econometric models by using annual data from 1990 to 2012. Empirical findings confirm the significant long-run association among the variables. Similarly, results show that renewable energy consumption positively contributes to economic output and has an adverse effect on CO 2 emissions. Given our findings, we suggest policy makers of those economies to initiate further effective policies to promote more renewable energy generation and uses across economic activities to ensure sustainable economic development.

  16. Studies in Chemical Dynamics

    International Nuclear Information System (INIS)

    Rabitz, Herschel; Ho, Tak-San

    2003-01-01

    This final report draws together the research carried from February, 1986 through January, 2003 concerning a series of topics in chemical dynamics. The specific areas of study include molecular collisions, chemical kinetics, data inversion to extract potential energy surfaces, and model reduction of complex kinetic systems

  17. Understanding Chemical Equilibrium: The Role of Gas Phases and Mixing Contributions in the Minimum of Free Energy Plots

    Science.gov (United States)

    Tomba, J. Pablo

    2017-01-01

    The use of free energy plots to understand the concept of thermodynamic equilibrium has been shown to be of great pedagogical value in materials science. Although chemical equilibrium is also amenable to this kind of analysis, it is not part of the agenda of materials science textbooks. Something similar is found in chemistry branches, where free…

  18. Isotope dependence of chemical erosion of carbon

    International Nuclear Information System (INIS)

    Reinhold, C.O.; Krstic, P.S.; Stuart, S.J.; Zhang, H.; Harris, P.R.; Meyer, F.W.

    2010-01-01

    We study the chemical erosion of hydrogen-supersaturated carbon due to bombardment by hydrogen isotopes H, D, and T at energies of 1-30 eV using classical molecular dynamics simulations. The chemical structure at the hydrogen-saturated interface (the distribution of terminal hydrocarbon moieties, in particular) shows a weak dependence on the mass of the impinging atoms. However, the sputtering yields increase considerably with increasing projectile mass. We analyze the threshold energies of chemical sputtering reaction channels and show that they are nearly mass independent, as expected from elementary bond-breaking chemical reactions involving hydrocarbons. Chemical sputtering yields for D impact are compared with new experimental data. Good agreement is found for small hydrocarbons but the simulations overestimate the production of large hydrocarbons for energies larger than 15 eV. We present a thorough analysis of the dependence of our simulations on the parameters of the bombardment schemes and discuss open questions and possible avenues for development.

  19. Summaries of FY 1979 research in the chemical sciences

    Energy Technology Data Exchange (ETDEWEB)

    1980-05-01

    The purpose of this report is to help those interested in research supported by the Department of Energy's Division of Chemical Sciences, which is one of six Divisions of the Office of Basic Energy Sciences in the Office of Energy Research. Chemists, physicists, chemical engineers and others who are considering the possibility of proposing research for support by this Division wll find the booklet useful for gauging the scope of the program in basic research, and the relationship of their interests to the overall program. These smmaries are intended to provide a rapid means for becoming acquainted with the Chemical Sciences program for members of the scientific and technological public, and interested persons in the Legislative and Executive Branches of the Government, in order to indicate the areas of research supported by the Division and energy technologies which may be advanced by use of basic knowledge discovered in this program. Scientific excellence is a major criterion applied in the selection of research supported by Chemical Sciences. Another important consideration is the identifying of chemical, physical and chemical engineering subdisciplines which are advancing in ways which produce new information related to energy, needed data, or new ideas.

  20. Summaries of FY 1979 research in the chemical sciences

    International Nuclear Information System (INIS)

    1980-05-01

    The purpose of this report is to help those interested in research supported by the Department of Energy's Division of Chemical Sciences, which is one of six Divisions of the Office of Basic Energy Sciences in the Office of Energy Research. Chemists, physicists, chemical engineers and others who are considering the possibility of proposing research for support by this Division wll find the booklet useful for gauging the scope of the program in basic research, and the relationship of their interests to the overall program. These smmaries are intended to provide a rapid means for becoming acquainted with the Chemical Sciences program for members of the scientific and technological public, and interested persons in the Legislative and Executive Branches of the Government, in order to indicate the areas of research supported by the Division and energy technologies which may be advanced by use of basic knowledge discovered in this program. Scientific excellence is a major criterion applied in the selection of research supported by Chemical Sciences. Another important consideration is the identifying of chemical, physical and chemical engineering subdisciplines which are advancing in ways which produce new information related to energy, needed data, or new ideas

  1. Beyond Solar Fuels: Renewable Energy-Driven Chemistry.

    Science.gov (United States)

    Lanzafame, Paola; Abate, Salvatare; Ampelli, Claudio; Genovese, Chiara; Passalacqua, Rosalba; Centi, Gabriele; Perathoner, Siglinda

    2017-11-23

    The future feasibility of decarbonized industrial chemical production based on the substitution of fossil feedstocks (FFs) with renewable energy (RE) sources is discussed. Indeed, the use of FFs as an energy source has the greatest impact on the greenhouse gas emissions of chemical production. This future scenario is indicated as "solar-driven" or "RE-driven" chemistry. Its possible implementation requires to go beyond the concept of solar fuels, in particular to address two key aspects: i) the use of RE-driven processes for the production of base raw materials, such as olefins, methanol, and ammonia, and ii) the development of novel RE-driven routes that simultaneously realize process and energy intensification, particularly in the direction of a significant reduction of the number of the process steps. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Ultrasound in chemical processes

    International Nuclear Information System (INIS)

    Baig, S.; Farooq, R.; Malik, A.H.

    2009-01-01

    The use of ultrasound to promote chemical reactions or sono chemistry is a field of chemistry which involves the process of acoustic cavitations i.e. the collapse of microscopic bubbles in liquid. There are two essential components for the application of sono chemistry, a liquid medium and a source of high-energy vibrations. The liquid medium is necessary because sono chemistry is driven by acoustic cavitations that can only occur in liquids. The source of the vibrational energy is the transducer. The chemical effects of ultrasound include the enhancement of reaction rates at ambient temperatures and striking advancements in stoichiometric and catalytic reactions In some cases, ultrasonic irradiation can increase reactivities by nearly million fold. The ultrasound has large number of applications not only in emending old chemical processes but also in developing new synthetic strategies. Ultrasound enhances all chemical and physical processes e.g., crystallization, vitamin synthesis, preparation of catalysts, dissolution of chemicals, organometallic reactions, electrochemical processes, etc. High-power ultrasonics is a new powerful technology that is not only safe and environmentally friendly in its application but is also efficient and economical. It can be applied to existing processes to eliminate the need for chemicals and/or heat application in a variety of industrial processes. (author)

  3. Vib--rotational energy distributions and relaxation processes in pulsed HF chemical lasers

    International Nuclear Information System (INIS)

    Ben-Shaul, A.; Kompa, K.L.; Schmailzl, U.

    1976-01-01

    The rate equations governing the temporal evolution of photon densities and level populations in pulsed F+H 2 →HF+H chemical lasers are solved for different initial conditions. The rate equations are solved simultaneously for all relevant vibrational--rotational levels and vibrational--rotational P-branch transitions. Rotational equilibrium is not assumed. Approximate expressions for the detailed state-to-state rate constants corresponding to the various energy transfer processes (V--V, V--R,T, R--R,T) coupling the vib--rotational levels are formulated on the basis of experimental data, approximate theories, and qualitative considerations. The main findings are as follows: At low pressures, R--T transfer cannot compete with the stimulated emission, and the laser output largely reflects the nonequilibrium energy distribution in the pumping reaction. The various transitions reach threshold and decay almost independently and simultaneous lasing on several lines takes place. When a buffer gas is added in excess to the reacting mixture, the enhanced rotational relaxation leads to nearly single-line operation and to the J shift in lasing. Laser efficiency is higher at high inert gas pressures owing to a better extraction of the internal energy from partially inverted populations. V--V exchange enhances lasing from upper vibrational levels but reduces the total pulse intensity. V--R,T processes reduce the efficiency but do not substantially modify the spectral output distribution. The photon yield ranges between 0.4 and 1.4 photons/HF molecule depending on the initial conditions. Comparison with experimental data, when available, is fair

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

    International Nuclear Information System (INIS)

    Otero, T F; Romero, M C

    2008-01-01

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

  5. Chemical isomerism as a key to explore free-energy landscapes in disordered matter

    International Nuclear Information System (INIS)

    Talon, C.; Ramos, M.A.; Vieira, S.; Bermejo, F.J.; Cabrillo, C.; Cuello, G.J.; Gonzalez, M.A.; Richardson, J.W. Jr.; Criado, A.; Cumbrera, F.L.; Gonzalez, L.M.

    2002-01-01

    The effects of a minor chemical modification on the microscopic structure of a material in its glass and crystal phases are investigated by the concurrent use of neutron diffraction and computer simulation. Significant changes in short-, intermediate-, and long-range order are found, resulting from the change in molecular structure. These differences are explainable by a shift in the balance between directional and excluded-volume interactions

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

    International Nuclear Information System (INIS)

    Valentini, J.J.

    1991-01-01

    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 → H 2 R reactions where RH is CH 4 , C 2 H 6 , or C 3 H 8 , (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

  7. Current situation of energy conservation in high energy-consuming industries in Taiwan

    International Nuclear Information System (INIS)

    Chan, D.Y.-L.; Yang, K.-H.; Hsu, C.-H.; Chien, M.-H.; Hong, G.-B.

    2007-01-01

    Growing concern in Taiwan has arisen about energy consumption and its adverse environmental impact. The current situation of energy conservation in high energy-consuming industries in Taiwan, including the iron and steel, chemical, cement, pulp and paper, textiles and electric/electrical industries has been presented. Since the energy consumption of the top 100 energy users (T100) comprised over 50% of total industry energy consumption, focusing energy consumption reduction efforts on T100 energy users can achieve significant results. This study conducted on-site energy audits of 314 firms in Taiwan during 2000-2004, and identified potential electricity savings of 1,022,656 MWH, fuel oil savings of 174,643 kiloliters (KL), steam coal savings of 98,620 ton, and natural gas (NG) savings of 10,430 kilo cubic meters. The total potential energy saving thus was 489,505 KL of crude oil equivalent (KLOE), representing a reduction of 1,447,841 ton in the carbon dioxide emissions, equivalent to the annual carbon dioxide absorption capacity of a 39,131-ha plantation forest

  8. Management of chemical disposal in BARC

    International Nuclear Information System (INIS)

    Shenoy, K.T.; Deolekar, Shailesh

    2017-01-01

    Most of the activities in BARC are of radiological in nature and are regulated as per Atomic Energy Act 1962. The radioactive waste generated is managed safely as per Atomic Energy (Safe Disposal of Radioactive Waste) Rules, 1987. However, many developmental activities related to nuclear fuel cycle and laboratories, which support the quality control aspects, generate inactive chemical waste. In addition, being multidisciplinary in nature, BARC carries out research in frontiers of chemical science for societal benefit and academic interest. All these scientific activities over the decades have resulted in accumulation of many partially used/surplus laboratory chemicals. These chemicals are in large varieties though small in terms of quantity. Although these chemicals do not have any further utility and commercial value, can add to potential hazards and hence require safe disposal. Considering this, BARC Safety Council(BSC) has re-constituted the 'Advisory Committee for Chemical Disposal (ACCD)' on March 18, 2016

  9. Metabolic rates are significantly lower in abyssal Holothuroidea than in shallow-water Holothuroidea

    Science.gov (United States)

    van Oevelen, Dick

    2018-01-01

    Recent analyses of metabolic rates in fishes, echinoderms, crustaceans and cephalopods have concluded that bathymetric declines in temperature- and mass-normalized metabolic rate do not result from resource-limitation (e.g. oxygen or food/chemical energy), decreasing temperature or increasing hydrostatic pressure. Instead, based on contrasting bathymetric patterns reported in the metabolic rates of visual and non-visual taxa, declining metabolic rate with depth is proposed to result from relaxation of selection for high locomotory capacity in visual predators as light diminishes. Here, we present metabolic rates of Holothuroidea, a non-visual benthic and benthopelagic echinoderm class, determined in situ at abyssal depths (greater than 4000 m depth). Mean temperature- and mass-normalized metabolic rate did not differ significantly between shallow-water (less than 200 m depth) and bathyal (200–4000 m depth) holothurians, but was significantly lower in abyssal (greater than 4000 m depth) holothurians than in shallow-water holothurians. These results support the dominance of the visual interactions hypothesis at bathyal depths, but indicate that ecological or evolutionary pressures other than biotic visual interactions contribute to bathymetric variation in holothurian metabolic rates. Multiple nonlinear regression assuming power or exponential models indicates that in situ hydrostatic pressure and/or food/chemical energy availability are responsible for variation in holothurian metabolic rates. Consequently, these results have implications for modelling deep-sea energetics and processes. PMID:29892403

  10. Photomixotrophic chemical production in cyanobacteria.

    Science.gov (United States)

    Matson, Morgan M; Atsumi, Shota

    2018-04-01

    The current global dependence on fossil fuels for both energy and chemical production has spurred concerns regarding long-term resource security and environmental detriments resulting from increased CO 2 levels. Through the installation of exogenous metabolic pathways, engineered cyanobacteria strains can directly fix CO 2 into industrially relevant chemicals currently produced from petroleum. This review highlights some of the studies that have successfully implemented photomixotrophic conditions to increase cyanobacterial chemical production. Supplementation with fixed carbon sources provides additional carbon building blocks and energy to enhance production and occasionally aid in growth. Photomixotrophic production has increased titers up to 5-fold over traditional autotrophic conditions, demonstrating promising applications for future commercialization. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. Chemical formation of soft metal electrodes for flexible and wearable electronics.

    Science.gov (United States)

    Wang, Dongrui; Zhang, Yaokang; Lu, Xi; Ma, Zhijun; Xie, Chuan; Zheng, Zijian

    2018-06-18

    Flexible and wearable electronics is one major technology after smartphones. It shows remarkable application potential in displays and informatics, robotics, sports, energy harvesting and storage, and medicine. As an indispensable part and the cornerstone of these devices, soft metal electrodes (SMEs) are of great significance. Compared with conventional physical processes such as vacuum thermal deposition and sputtering, chemical approaches for preparing SMEs show significant advantages in terms of scalability, low-cost, and compatibility with the soft materials and substrates used for the devices. This review article provides a detailed overview on how to chemically fabricate SMEs, including the material preparation, fabrication technologies, methods to characterize their key properties, and representative studies on different wearable applications.

  12. Chemical ecology of insect-plant interactions: ecological significance of plant secondary metabolites.

    OpenAIRE

    Nishida, Ritsuo

    2014-01-01

    Plants produce a diverse array of secondary metabolites as chemical barriers against herbivores. Many phytophagous insects are highly adapted to these allelochemicals and use such unique substances as the specific host-finding cues, defensive substances of their own, and even as sex pheromones or their precursors by selectively sensing, incorporating, and/or processing these phytochemicals. Insects also serve as pollinators often effectively guided by specific floral fragrances. This review d...

  13. Chemical and Petrochemical Sector

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2009-07-01

    This publication is a background document on the global chemical and petrochemical sector for the IEA publication Energy Technology Transitions in Industry (IEA, 2009). It provides further, more detailed information on the methodology and data issues for energy efficiency indicators for the sector. The indicators discussed offer insight regarding the energy efficiency improvement potential in the short- to medium-term (by proven technologies).

  14. An approach to the determination of physical-chemical limits of energy consumption for the transition to a stationary state

    International Nuclear Information System (INIS)

    Zimen, K.E.

    1975-02-01

    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) [de

  15. Summaries of FY 1981 research in the chemical sciences

    International Nuclear Information System (INIS)

    1981-08-01

    The purpose of this booklet is to help those interested in research supported by the Department of Energy's Division of Chemical Sciences, which is one of six Divisions of the Office of Basic Energy Sciences in the Office of Energy Research. Chemists, physicists, chemical engineers and others who are considering the possibility of proposing research for support by this Division will find the booklet useful for gauging the scope of the program in basic research, and the relationship of their interests to the overall program. These summaries are intended to provide a rapid means for becoming acquainted with the Chemical Sciences program to members of the scientific and technological public and interested persons in the Legislative and Executive Branches of the Government. Areas of research supported by the Division are to be seen in the section headings, the index and the summaries themselves. Energy technologies which may be advanced by use of the basic knowledge discovered in this program can be seen in the index and again (by reference) in the summaries. The contents are as follows: DOE laboratires; chemical physics; atomic physics; chemical energy; separations; analysis; chemical engineering sciences; offsite contracts; equipment funds; topical index; institutional index for offsite contracts; and investigator index

  16. Engineering cyanobacteria for fuels and chemicals production.

    Science.gov (United States)

    Zhou, Jie; Li, Yin

    2010-03-01

    The world's energy and global warming crises call for sustainable, renewable, carbon-neutral alternatives to replace fossil fuel resources. Currently, most biofuels are produced from agricultural crops and residues, which lead to concerns about food security and land shortage. Compared to the current biofuel production system, cyanobacteria, as autotrophic prokaryotes, do not require arable land and can grow to high densities by efficiently using solar energy, CO(2), water, and inorganic nutrients. Moreover, powerful genetic techniques of cyanobacteria have been developed. For these reasons, cyanobacteria, which carry out oxygenic photosynthesis, are attractive hosts for production of fuels and chemicals. Recently, several chemicals including ethanol, isobutanol and isoprene have been produced by engineered cyanobacteria directly using solar energy, CO(2), and water. Cyanobacterium is therefore a potential novel cell factory for fuels and chemicals production to address global energy security and climate change issues.

  17. Digestibility and energetic value of agricultural wastes as affected by gamma irradiation and chemical treatments

    International Nuclear Information System (INIS)

    Al-Masri, M.R.

    2002-01-01

    Experiments were carried out to study the changes in the values of in-vitro apparent organic matter digestibility (IVOMD), metabolizable energy (ME) and net energy lactation (NEL) of wheat straw, sunflower seed shell, olive cake wood, date palm seeds and peanut shell after spraying with different concentrations of hydrobromic acid (HBr) and sodium hydroxide (NaOH) (0,3,6 ml HBr and 3,6 g NaOH/25 ml water/100 g Dm) or after exposure to various doses of gamma radiation (0, 20, 40, 60 kGy). Results indicated that, except for the date palm seeds, the chemical treatments with either HBr or NaOH significantly (P<0.05) increased IVOMD, Me and NEL values for all treated samples. The experimental agricultural wastes did not respond equally to the chemical treatments investigated, i.e. they differ in the induced increases pertaining to their IVOMD, ME and NEL. The highest changes in the studied parameters due to chemical treatments were obtained when applying the 6% concentration. There was no significant effect (P<0.05) of irradiation on IVOMD, ME and NEL values for all treated samples. Moreover, the combined treatments of irradiation and hydrobromic acid or sodium hydroxide were found to have no significant affects on the IVOMD, ME and NEL values compared to the individual chemical treatments. (author)

  18. Facile fabrication of CNT-based chemical sensor operating at room temperature

    Science.gov (United States)

    Sheng, Jiadong; Zeng, Xian; Zhu, Qi; Yang, Zhaohui; Zhang, Xiaohua

    2017-12-01

    This paper describes a simple, low cost and effective route to fabricate CNT-based chemical sensors, which operate at room temperature. Firstly, the incorporation of silk fibroin in vertically aligned CNT arrays (CNTA) obtained through a thermal chemical vapor deposition (CVD) method makes the direct removal of CNT arrays from substrates without any rigorous acid or sonication treatment feasible. Through a simple one-step in situ polymerization of anilines, the functionalization of CNT arrays with polyaniline (PANI) significantly improves the sensing performance of CNT-based chemical sensors in detecting ammonia (NH3) and hydrogen chloride (HCl) vapors. Chemically modified CNT arrays also show responses to organic vapors like menthol, ethyl acetate and acetone. Although the detection limits of chemically modified CNT-based chemical sensors are of the same orders of magnitudes reported in previous studies, these CNT-based chemical sensors show advantages of simplicity, low cost and energy efficiency in preparation and fabrication of devices. Additionally, a linear relationship between the relative sensitivity and concentration of analyte makes precise estimations on the concentrations of trace chemical vapors possible.

  19. Isovector couplings for nucleon charge-exchange reactions at intermediate energies

    International Nuclear Information System (INIS)

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

    1987-01-01

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

  20. Electro Thermal Chemical Gun Technology Study

    National Research Council Canada - National Science Library

    Diamond, P

    1999-01-01

    .... Michael Stroscio. Electro Thermal Chemical (ETC) gun technology refers to the use of plasma devices in place of traditional chemical ignitors to initiate the burning of high energy propellants in a controlled manner...

  1. Department of Energy depleted uranium recycle

    International Nuclear Information System (INIS)

    Kosinski, F.E.; Butturini, W.G.; Kurtz, J.J.

    1994-01-01

    With its strategic supply of depleted uranium, the Department of Energy is studying reuse of the material in nuclear radiation shields, military hardware, and commercial applications. the study is expected to warrant a more detailed uranium recycle plan which would include consideration of a demonstration program and a program implementation decision. Such a program, if implemented, would become the largest nuclear material recycle program in the history of the Department of Energy. The bulk of the current inventory of depleted uranium is stored in 14-ton cylinders in the form of solid uranium hexafluoride (UF 6 ). The radioactive 235 U content has been reduced to a concentration of 0.2% to 0.4%. Present estimates indicate there are about 55,000 UF 6 -filled cylinders in inventory and planned operations will provide another 2,500 cylinders of depleted uranium each year. The United States government, under the auspices of the Department of Energy, considers the depleted uranium a highly-refined strategic resource of significant value. A possible utilization of a large portion of the depleted uranium inventory is as radiation shielding for spent reactor fuels and high-level radioactive waste. To this end, the Department of Energy study to-date has included a preliminary technical review to ascertain DOE chemical forms useful for commercial products. The presentation summarized the information including preliminary cost estimates. The status of commercial uranium processing is discussed. With a shrinking market, the number of chemical conversion and fabrication plants is reduced; however, the commercial capability does exist for chemical conversion of the UF 6 to the metal form and for the fabrication of uranium radiation shields and other uranium products. Department of Energy facilities no longer possess a capability for depleted uranium chemical conversion

  2. Complex Chemical Reaction Networks from Heuristics-Aided Quantum Chemistry.

    Science.gov (United States)

    Rappoport, Dmitrij; Galvin, Cooper J; Zubarev, Dmitry Yu; Aspuru-Guzik, Alán

    2014-03-11

    While structures and reactivities of many small molecules can be computed efficiently and accurately using quantum chemical methods, heuristic approaches remain essential for modeling complex structures and large-scale chemical systems. Here, we present a heuristics-aided quantum chemical methodology applicable to complex chemical reaction networks such as those arising in cell metabolism and prebiotic chemistry. Chemical heuristics offer an expedient way of traversing high-dimensional reactive potential energy surfaces and are combined here with quantum chemical structure optimizations, which yield the structures and energies of the reaction intermediates and products. Application of heuristics-aided quantum chemical methodology to the formose reaction reproduces the experimentally observed reaction products, major reaction pathways, and autocatalytic cycles.

  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. Flexible graphene/carbon nanotube hybrid papers chemical-reduction-tailored by gallic acid for high-performance electrochemical capacitive energy storages

    Science.gov (United States)

    Yao, Lu; Zhou, Chao; Hu, Nantao; Hu, Jing; Hong, Min; Zhang, Liying; Zhang, Yafei

    2018-03-01

    Mechanically robust graphene papers with both high gravimetric and volumetric capacitances are desired for high-performance energy storages. However, it's still a challenge to tailor the structure of graphene papers in order to meet this requirement. In this work, a kind of chemical-reduction-tailored mechanically-robust reduced graphene oxide/carbon nanotube hybrid paper has been reported for high-performance electrochemical capacitive energy storages. Gallic acid (GA), as an excellent reducing agent, was used to reduce graphene oxide. Through vacuum filtration of gallic acid reduced graphene oxide (GA-rGO) and carboxylic multiwalled carbon nanotubes (MWCNTs) aqueous suspensions, mechanically robust GA-rGO/MWCNTs hybrid papers were obtained. The resultant hybrid papers showed high gravimetric capacitance of 337.6 F g-1 (0.5 A g-1) and volumetric capacitance of 151.2 F cm-3 (0.25 A cm-3). In addition, the assembled symmetric device based on the hybrid papers exhibited high gravimetric capacitance of 291.6 F g-1 (0.5 A g-1) and volumetric capacitance of 136.6 F cm-3 (0.25 A cm-3). Meanwhile, it exhibited excellent rate capability and cycling stability. Above all, this chemical reduction tailoring technique and the resultant high-performance GA-rGO/MWCNTs hybrid papers give an insight for designing high-performance electrodes and hold a great potential in the field of energy storages.

  5. Similarity Laws for the Lines of Ideal Free Energy and Chemical Potential in Supercritical Fluids.

    Science.gov (United States)

    Apfelbaum, E M; Vorob'ev, V S

    2017-09-21

    We have found the curves on the density-temperature plane, along which the values of free energy and chemical potential correspond to ideal gas quantities. At first, we have applied the van der Waals equation to construct them and to derive their equations. Then we have shown that the same lines for real substances (Ar, N 2 , CH 4 , SF 6 , H 2 , H 2 O) and for the model Lennard-Jones system constructed on the basis of the measurements data and calculations are well matched with the derived equations. The validity and deviations from the obtained similarity laws are discussed.

  6. Micro energy-dispersive X-ray fluoresence mapping of enamel and dental materials after chemical erosion.

    Science.gov (United States)

    Soares, Luís Eduardo Silva; de Oliveira, Rodrigo; Nahórny, Sídnei; Santo, Ana Maria do Espírito; Martin, Airton Abrahão

    2012-10-01

    Energy-dispersive X-ray fluorescence was employed to test the hypothesis that beverage consumption or mouthwash utilization will change the chemical properties of dental materials and enamel mineral content. Bovine enamel samples (n = 45) each received two cavity preparations (n = 90), each pair filled with one of three dental materials (R: nanofilled composite resin; GIC: glass-ionomer cement; RMGIC: resin-modified GIC). Furthermore, they were treated with three different solutions (S: saliva; E: erosion/Pepsi Twist®; or EM: erosion+mouthwash/Colgate Plax®). It was found that mineral loss in enamel was greater in GICE samples than in RE > RMGICE > RMGICEM > REM > GICEM. An increased percentage of Zr was found in REM indicating organic matrix degradation. Dental materials tested (R, GIC, and RMGIC) were not able to protect adjacent enamel from acid erosion by the soft drink tested. The use of mouthwash promoted protection of enamel after erosion by the soft drink. To avoid chemical dissolution by mouthwashes, protection by resin composites with surface sealants is recommended.

  7. Chemical Engineering Division annual technical report, 1980

    International Nuclear Information System (INIS)

    Burris, L.; Webster, D.S.; Barney, D.L.; Cafasso, F.A.; Steindler, M.J.

    1981-06-01

    Highlights of the Chemical Engineering (CEN) Division's activities during 1980 are presented. In this period, CEN conducted research and development in the following areas: (1) rechargeable lithium-aluminum/iron sulfide batteries for electric vehicles and other applications; (2) ambient-temperature batteries - improved lead-acid, nickel/zinc, and nickel/iron - for electric vehicles; (3) energy-efficient industrial electrochemical processes; (4) molten carbonate fuel cells for use by electric utilities; (5) coal technology, mainly fluidized-bed combustion of coal in the presence of SO 2 sorbent of limestone; (6) heat- and seed-recovery technology for open-cycle magnetohydrodynamic systems; (7) solar energy collectors and thermal energy storage; (8) fast breeder reactor chemistry research - chemical support of reactor safety studies, chemistry of irradiated fuels, and sodium technology; (9) fuel cycle technology - management of nuclear wastes, reprocessing of nuclear fuels, and proof-of-breeding studies for the Light Water Breeder Reactor; and (10) magnetic fusion research - systems analysis and engineering experimentation, materials research, and neutron dosimetry and damage analysis. The CEN Division also has a basic energy sciences program, which includes experimental and theoretical research on (1) the catalytic hydrogenation of carbon monoxide and methanol homologation, (2) the thermodynamic properties of a wide variety of inorganic and organic materials, (3) significant mechanisms for the formation of atmospheric sulfate and nitrogen-bearing aerosols, (4) processes occurring at electrodes and in electrolytes, and (5) the physical properties of salt vapors. In addition, the Division operated the Central Analytical Chemistry Laboratory

  8. Advanced Chemical Propulsion

    Science.gov (United States)

    Bai, S. Don

    2000-01-01

    Design, propellant selection, and launch assistance for advanced chemical propulsion system is discussed. Topics discussed include: rocket design, advance fuel and high energy density materials, launch assist, and criteria for fuel selection.

  9. 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

  10. Special theory on chemical engineering

    International Nuclear Information System (INIS)

    1987-06-01

    This book give a special description about chemical engineering. The contents of this book are special technique for isolation on introduction and separation by membrane, biochemistry engineering, process system engineering, energy engineering, environment engineering, a high molecular new material, election material and research on surface property of catalyst. It has appendixes on history of transition on Korean chemical engineering text contents and history of the activity of Korea chemical engineering institute.

  11. Effect of 3 modified fats and a conventional fat on appetite, energy intake, energy expenditure, and substrate oxidation in healthy men

    DEFF Research Database (Denmark)

    Bendixen, H.; Flint, A.; Raben, A.

    2002-01-01

    energy intake, meal-induced thermogenesis, and postprandial substrate oxidation.Design: Eleven healthy, normal-weight men (mean age: 25.1 +/-0.5 y) consumed 4 different test fats [conventional fat (rapeseed oil) and 3 modified fats (lipase-structured fat, chemically structured fat, and physically mixed...... fat)] in a randomized, double-blind, crossover design.Results: No significant differences in appetite sensations or ad libitum energy intakes were observed between the 4 test fats. Overall, the 4 fats exerted different effects on energy expenditure (meal effect: P...

  12. 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.

  13. Composite Materials for Thermal Energy Storage: Enhancing Performance through Microstructures

    Science.gov (United States)

    Ge, Zhiwei; Ye, Feng; Ding, Yulong

    2014-01-01

    Chemical incompatibility and low thermal conductivity issues of molten-salt-based thermal energy storage materials can be addressed by using microstructured composites. Using a eutectic mixture of lithium and sodium carbonates as molten salt, magnesium oxide as supporting material, and graphite as thermal conductivity enhancer, the microstructural development, chemical compatibility, thermal stability, thermal conductivity, and thermal energy storage performance of composite materials are investigated. The ceramic supporting material is essential for preventing salt leakage and hence provides a solution to the chemical incompatibility issue. The use of graphite gives a significant enhancement on the thermal conductivity of the composite. Analyses suggest that the experimentally observed microstructural development of the composite is associated with the wettability of the salt on the ceramic substrate and that on the thermal conduction enhancer. PMID:24591286

  14. The biorefinery concept: Using biomass instead of oil for producing energy and chemicals

    International Nuclear Information System (INIS)

    Cherubini, Francesco

    2010-01-01

    A great fraction of worldwide energy carriers and material products come from fossil fuel refinery. Because of the on-going price increase of fossil resources, their uncertain availability, and their environmental concerns, the feasibility of oil exploitation is predicted to decrease in the near future. Therefore, alternative solutions able to mitigate climate change and reduce the consumption of fossil fuels should be promoted. The replacement of oil with biomass as raw material for fuel and chemical production is an interesting option and is the driving force for the development of biorefinery complexes. In biorefinery, almost all the types of biomass feedstocks can be converted to different classes of biofuels and biochemicals through jointly applied conversion technologies. This paper provides a description of the emerging biorefinery concept, in comparison with the current oil refinery. The focus is on the state of the art in biofuel and biochemical production, as well as discussion of the most important biomass feedstocks, conversion technologies and final products. Through the integration of green chemistry into biorefineries, and the use of low environmental impact technologies, future sustainable production chains of biofuels and high value chemicals from biomass can be established. The aim of this bio-industry is to be competitive in the market and lead to the progressive replacement of oil refinery products. (author)

  15. 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)

    Nancy Moller Weare

    2006-01-01

    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

  16. 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

  17. Digestibility and energetic value of some agricultural wastes as affected by gamma irradiation and chemical treatments

    International Nuclear Information System (INIS)

    Al-Masri, M.R.

    2001-08-01

    Experiments were carried out to study the changes in the values of in-vitro apparent organic matter digestibility (IVOMD), metabolizable energy (ME) and net energy lactation (NEL) of wheat straw, sunflower seed shell, olive cake wood, date palm seeds and peanut shell after spraying with different concentrations of hydrobromic acid (HBr) and sodium hydroxide (NaOH) (0,3,6 ml HBr and 3,6 g NaOH/25 ml water/100 g DM) or after exposure to various doses of gamma radiation (0, 20, 40, 60 kGy). Results indicated that, except for the date palm seeds, the chemical treatments with either HBr or NaOH significantly (P<0.05) increased IVOMD, Me and NEL values for all treated samples. The experimental agricultural wastes did not respond equally to the chemical treatments investigated, i.e. they differ in the induced increases pertaining to their IVOMD, ME and NEL. The highest changes in the studied parameters due to chemical treatments were obtained when applying the 6% concentration. There was no significant effect (P<0.05) of irradiation on IVOMD, ME and NEL values for all treated samples. Moreover, the combined treatments of irradiation and hydrobromic acid or sodium hydroxide were found to have no significant affects on the IVOMD, ME and NEL values compared to the individual chemical treatments. (author)

  18. Energy cascades in Canada

    Energy Technology Data Exchange (ETDEWEB)

    Hayden, A. C.; Brown, T. D.

    1979-03-15

    Combining energy uses in a cascade can result in significant overall reductions in fuel requirements. The simplest applications for a cascade are in the recovery of waste heat from existing processes using special boilers or turbines. Specific applications of more-complex energy cascades for Canada are discussed. A combined-cycle plant at a chemical refinery in Ontario is world leader in energy efficiency. Total-energy systems for commercial buildings, such as one installed in a school in Western Canada, offer attractive energy and operating cost benefits. A cogeneration plant proposed for the National Capital Region, generating electricity as well as steam for district heating, allows the use of a low-grade fossil fuel (coal), greatly improves energy-transformation efficiency, and also utilizes an effectively renewable resource (municipal garbage). Despite the widespread availability of equipment and technology of energy cascades, the sale of steam and electricity across plant boundaries presents a barrier. More widespread use of cascades will require increased cooperation among industry, electric utilities and the various levels of government if Canada is to realize the high levels of energy efficiency potential available.

  19. Plants' essential chemical elements

    Science.gov (United States)

    Kevin T. Smith

    2007-01-01

    Every garden center and hardware store sells fertilizer guaranteed to "feed" plants. In a strict sense, we can't feed plants. Food contains an energy source. Green plants capture solar energy and make their own food through photosynthesis! Photosynthesis and other metabolic processes require chemical elements in appropriate doses for plants to survive...

  20. 76 FR 65579 - Certain High Production Volume Chemicals; Test Rule and Significant New Use Rule; Fourth Group of...

    Science.gov (United States)

    2011-10-21

    ...) or process any of the chemical substances that are listed in Tables A. or B. in Unit III. Potentially... remaining 508 of the 2,782 chemical substances were termed ``orphans'' because they were not sponsored and... the 508 orphans, 405 are no longer produced at HPV levels. Of the remaining 103 chemical substances...

  1. Forecasting global developments in the basic chemical industry for environmental policy analysis

    International Nuclear Information System (INIS)

    Broeren, M.L.M.; Saygin, D.; Patel, M.K.

    2014-01-01

    The chemical sector is the largest industrial energy user, but detailed analysis of its energy use developments lags behind other energy-intensive sectors. A cost-driven forecasting model for basic chemicals production is developed, accounting for regional production costs, demand growth and stock turnover. The model determines the global production capacity placement, implementation of energy-efficient Best Practice Technology (BPT) and global carbon dioxide (CO 2 ) emissions for the period 2010–2030. Subsequently, the effects of energy and climate policies on these parameters are quantified. About 60% of new basic chemical production capacity is projected to be placed in non-OECD regions by 2030 due to low energy prices. While global production increases by 80% between 2010 and 2030, the OECD's production capacity share decreases from 40% to 20% and global emissions increase by 50%. Energy pricing and climate policies are found to reduce 2030 CO 2 emissions by 5–15% relative to the baseline developments by increasing BPT implementation. Maximum BPT implementation results in a 25% reduction. Further emission reductions require measures beyond energy-efficient technologies. The model is useful to estimate general trends related to basic chemicals production, but improved data from the chemical sector is required to expand the analysis to additional technologies and chemicals. - Highlights: • We develop a global cost-driven forecasting model for the basic chemical sector. • We study regional production, energy-efficient technology, emissions and policies. • Between 2010 and 2030, 60% of new chemicals capacity is built in non-OECD regions. • Global CO 2 emissions rise by 50%, but climate policies may limit this to 30–40%. • Measures beyond energy efficiency are needed to prevent increasing CO 2 emissions

  2. A leaf-inspired luminescent solar concentrator for energy-efficient continuous-flow photochemistry

    NARCIS (Netherlands)

    Cambié, D.; Zhao, F.; Hessel, V.; Debije, M.G.; Noël, T.

    2017-01-01

    The use of solar light to promote chemical reactions holds significant potential with regard to sustainable energy solutions. While the number of visible light-induced transformations has increased significantly, the use of abundant solar light has been extremely limited. We report a leaf-inspired

  3. Chemical effects of nuclear transformations

    Energy Technology Data Exchange (ETDEWEB)

    Bulbulian, S

    1982-06-01

    A brief survey of the present state of knowledge on the chemical effects of nuclear transformations is presented. The recoil energy produced by these transformations in the nuclide is often sufficiently high to disrupt the chemical ligands between these particular atoms affected by the nuclear transformations, while the rest of their molecules. It also contains a discussion of the different annealing processes that produce the cancellation of the chemical change produced by the nuclear transformation.

  4. Journal of Chemical Sciences | Indian Academy of Sciences

    Indian Academy of Sciences (India)

    DFT global chemical reactivity descriptors (chemical hardness, total energy, electronic chemical potential, and electrophilicity) are calculated for the isomers and used to predict their relative stability and reactivity. The chemical reactivity indices are found to be related to the bond angle defined by the cis carbonyls and the ...

  5. Thermodynamics of nuclear track chemical etching

    Science.gov (United States)

    Rana, Mukhtar Ahmed

    2018-05-01

    This is a brief paper with new and useful scientific information on nuclear track chemical etching. Nuclear track etching is described here by using basic concepts of thermodynamics. Enthalpy, entropy and free energy parameters are considered for the nuclear track etching. The free energy of etching is determined using etching experiments of fission fragment tracks in CR-39. Relationship between the free energy and the etching temperature is explored and is found to be approximately linear. The above relationship is discussed. A simple enthalpy-entropy model of chemical etching is presented. Experimental and computational results presented here are of fundamental interest in nuclear track detection methodology.

  6. Chemical equilibration of antihyperons

    International Nuclear Information System (INIS)

    Greiner, C.

    2002-01-01

    Rapid chemical equilibration of antihyperons by means of the interplay between strong annihilation on baryons and the corresponding backreactions of multi-mesonic (fusion-type) processes in the later, hadronic stage of an ultrarelativistic heavy ion collision will be discussed. Explicit rate calculations for a dynamical setup are presented. At maximum SPS energies yields of each antihyperon specie are obtained which are consistent with chemical saturated populations of T∼150-160 MeV. The proposed picture supports dynamically the popular chemical freeze-out parameters extracted within thermal models. (orig.)

  7. Chemical engineering side of nuclear fusion power

    International Nuclear Information System (INIS)

    Johnson, E.F.

    1976-10-01

    It is widely recognized that chemical engineering has important roles to play in the development of national and world wide energy resources through optimal utilization of fossil fuel reserves. It is much less appreciated that there are crucial chemical engineering problems in the development of energy production from other sources. In particular the successful development of nuclear fusion power generating systems will require the solution of many problems that are uniquely suited to chemical engineers. This article presents a brief overview of the fusion development program and an identification of the major technological problems remaining to be solved

  8. Refrigeration: Introducing energy saving opportunities for business

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2006-04-15

    In some industries, most notably food and drink and chemicals, refrigeration accounts for a significant proportion of overall site energy costs. For instance, in the industrial handling of meat, poultry and fish, it often accounts for 50% of total energy costs. In ice-cream production the proportion is 70%. In a number of commercial sectors, refrigeration also represents a significant proportion of overall energy costs. For example: Cold storage 90%; Food supermarkets 50%; Small shops with refrigerated cabinets 70% or over; Pubs and clubs 30%. Against these high costs, even a small reduction in refrigeration energy use can offer significant cost savings, resulting in increased profits. Energy saving need not be expensive. Energy savings of up to 20% can be realised in many refrigeration plant through actions that require little or no investment. In addition, improving the efficiency and reducing the load on a refrigeration plant can improve reliability and reduce the likelihood of a breakdown. Most organisations can save energy and money on refrigeration by: More efficient equipment; Good maintenance; Housekeeping and control. This publication provides an understanding of the operation of refrigeration systems, identifies where savings can be realised and will enable readers to present an informed case on energy savings to key decision makers within their organisation. (GB)

  9. MATERIALS REQUIREMENTS FOR THERMIONIC ENERGY CONVERSION

    Energy Technology Data Exchange (ETDEWEB)

    Allen, R. C.; Skeen, C. H.

    1963-03-15

    The fundamentals of the thermionic energy conversion and its potential applications are reviewed. Materials problems associated with thermionic emitters are considered in relation to the following: work function; emissivity; vaporization; thermal, mechanical, and electrical properties; chemical stability; permeation; and stability under nuclear radiation. Cesium purity and materials suitable for collectors, electrical leads, support structures, insulators, and seals are also discussed. Experimental work on problems involved is reviewed. It is concluded that significant developments have occurred recently in all areas of thermionic energy conversion. (40 references) (A.G.W.)

  10. Chemical sensor system

    Science.gov (United States)

    Darrach, Murray R. (Inventor); Chutjian, Ara (Inventor)

    2008-01-01

    A chemical sensing apparatus and method for the detection of sub parts-per-trillion concentrations of molecules in a sample by optimizing electron utilization in the formation of negative ions is provided. A variety of media may be sampled including air, seawater, dry sediment, or undersea sediment. An electrostatic mirror is used to reduce the kinetic energy of an electron beam to zero or near-zero kinetic energy.

  11. Effect of thermal, chemical and thermo-chemical pre-treatments to enhance methane production

    Energy Technology Data Exchange (ETDEWEB)

    Rafique, Rashad; Nizami, Abdul-Sattar; Murphy, Jerry D.; Kiely, Gerard [Department of Civil and Environmental Engineering, University College Cork (Ireland); Poulsen, Tjalfe Gorm [Department of Biotechnology, Chemistry and Environmental Engineering, Aalborg University (Denmark); Asam, Zaki-ul-Zaman [Department of Civil Engineering, National University of Ireland Galway (Ireland)

    2010-12-15

    The rise in oil price triggered the exploration and enhancement of various renewable energy sources. Producing biogas from organic waste is not only providing a clean sustainable indigenous fuel to the number of on-farm digesters in Europe, but also reducing the ecological and environmental deterioration. The lignocellulosic substrates are not completely biodegraded in anaerobic digesters operating at commercial scale due to their complex physical and chemical structure, which result in meager energy recovery in terms of methane yield. The focus of this study is to investigate the effect of pre-treatments: thermal, thermo-chemical and chemical pre-treatments on the biogas and methane potential of dewatered pig manure. A laboratory scale batch digester is used for these pre-treatments at different temperature range (25 C-150 C). Results showed that thermo-chemical pretreatment has high effect on biogas and methane potential in the temperature range (25-100 C). Maximum enhancement is observed at 70 C with increase of 78% biogas and 60% methane production. Thermal pretreatment also showed enhancement in the temperature range (50-10 C), with maximum enhancement at 100 C having 28% biogas and 25% methane increase. (author)

  12. Multifunctional Graphene-based Hybrid Nanomaterials for Electrochemical Energy Storage.

    Science.gov (United States)

    Gupta, Sanju

    Intense research in renewable energy is stimulated by global demand of electric energy. Electrochemical energy storage and conversion systems namely, supercapacitors and batteries, represent the most efficient and environmentally benign technologies. Moreover, controlled nanoscaled architectures and surface chemistry of electrochemical electrodes is enabling emergent next-generation efficient devices approaching theoretical limit of energy and power densities. This talk will present our recent activities to advance design, development and deployment of composition, morphology and microstructure controlled two- and three-dimensional graphene-based hybrids architectures. They are chemically and molecularly bridged with carbon nanotubes, conducting polymers, transition metal oxides and mesoproprous silicon wrapped with graphene nanosheets as engineered electrodes for supercapacitor cathodes and battery anodes. They showed significant enhancement in terms of gravimetric specific capacitance, interfacial capacitance, charging-discharging rate and cyclability. We will also present fundamental physical-chemical interfacial processes (ion transfer kinetics and diffusion), imaging electroactive sites, and topography at electrode/electrolyte interface governing underlying electrochemical mechanisms via scanning electrochemical microscopy. KY NSF EPSCoR.

  13. Effect of chemical heterogeneity of biodegradable polymers on surface energy: A static contact angle analysis of polyester model films

    Energy Technology Data Exchange (ETDEWEB)

    Belibel, R.; Avramoglou, T. [INSERM U1148, Laboratory for Vascular Translational Science (LVTS), Institut Galilée, Université Paris 13, Sorbonne Paris Cité, 99 Avenue Jean-Baptiste Clément, Villetaneuse F-93430 (France); Garcia, A. [CNRS UPR 3407, Laboratoire des Sciences des Procédés et des Matériau, Institut Galilée, Université Paris 13, Sorbonne Paris Cité, 99 Avenue Jean-Baptiste Clément, Villetaneuse F-93430 (France); Barbaud, C. [INSERM U1148, Laboratory for Vascular Translational Science (LVTS), Institut Galilée, Université Paris 13, Sorbonne Paris Cité, 99 Avenue Jean-Baptiste Clément, Villetaneuse F-93430 (France); Mora, L., E-mail: Laurence.mora@univ-paris13.fr [INSERM U1148, Laboratory for Vascular Translational Science (LVTS), Institut Galilée, Université Paris 13, Sorbonne Paris Cité, 99 Avenue Jean-Baptiste Clément, Villetaneuse F-93430 (France)

    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. - Highlights: • We develop different polymers with various chemical compositions. • Wettability properties were calculated using Cassie corrected contact angles. • Percentage of acid groups in polymers is directly correlated to acid part of SFE. • Cassie corrections are necessary for heterogeneous polymers.

  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. Significantly Elevated Dielectric and Energy Storage Traits in Boron Nitride Filled Polymer Nano-composites with Topological Structure

    Science.gov (United States)

    Feng, Yefeng; Zhang, Jianxiong; Hu, Jianbing; Li, Shichun; Peng, Cheng

    2018-03-01

    Interface induced polarization has a prominent influence on dielectric properties of 0-3 type polymer based composites containing Si-based semi-conductors. The disadvantages of composites were higher dielectric loss, lower breakdown strength and energy storage density, although higher permittivity was achieved. In this work, dielectric, conductive, breakdown and energy storage properties of four nano-composites have been researched. Based on the cooperation of fluoropolymer/alpha-SiC layer and fluoropolymer/hexagonal-BN layer, it was confirmed constructing the heterogeneous layer-by-layer composite structure rather than homogeneous mono-layer structure could significantly reduce dielectric loss, promote breakdown strength and increase energy storage density. The former worked for a larger dielectric response and the latter layer acted as a robust barrier of charge carrier transfer. The best nano-composite could possess a permittivity of 43@100 Hz ( 3.3 times of polymer), loss of 0.07@100 Hz ( 37% of polymer), discharged energy density of 2.23 J/cm3@249 kV/cm ( 10 times of polymer) and discharged energy efficiency of 54%@249 kV/cm ( 5 times of polymer). This work might enlighten a facile route to achieve the promising high energy storage composite dielectrics by constructing the layer-by-layer topological structure.

  16. Ontological Metaphors for Negative Energy in an Interdisciplinary Context

    Science.gov (United States)

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

    2014-01-01

    Teaching about energy in interdisciplinary settings that emphasize coherence among physics, chemistry, and biology leads to a more central role for chemical bond energy. We argue that an interdisciplinary approach to chemical energy leads to modeling chemical bonds in terms of negative energy. While recent work on ontological metaphors for energy…

  17. Mapping Global Flows of Chemicals: From Fossil Fuel Feedstocks to Chemical Products.

    Science.gov (United States)

    Levi, Peter G; Cullen, Jonathan M

    2018-02-20

    Chemical products are ubiquitous in modern society. The chemical sector is the largest industrial energy consumer and the third largest industrial emitter of carbon dioxide. The current portfolio of mitigation options for the chemical sector emphasizes upstream "supply side" solutions, whereas downstream mitigation options, such as material efficiency, are given comparatively short shrift. Key reasons for this are the scarcity of data on the sector's material flows, and the highly intertwined nature of its complex supply chains. We provide the most up to date, comprehensive and transparent data set available publicly, on virgin production routes in the chemical sector: from fossil fuel feedstocks to chemical products. We map global mass flows for the year 2013 through a complex network of transformation processes, and by taking account of secondary reactants and by-products, we maintain a full mass balance throughout. The resulting data set partially addresses the dearth of publicly available information on the chemical sector's supply chain, and can be used to prioritise downstream mitigation options.

  18. How to compute isomerization energies of organic molecules with quantum chemical methods.

    Science.gov (United States)

    Grimme, Stefan; Steinmetz, Marc; Korth, Martin

    2007-03-16

    The reaction energies for 34 typical organic isomerizations including oxygen and nitrogen heteroatoms are investigated with modern quantum chemical methods that have the perspective of also being applicable to large systems. The experimental reaction enthalpies are corrected for vibrational and thermal effects, and the thus derived "experimental" reaction energies are compared to corresponding theoretical data. A series of standard AO basis sets in combination with second-order perturbation theory (MP2, SCS-MP2), conventional density functionals (e.g., PBE, TPSS, B3-LYP, MPW1K, BMK), and new perturbative functionals (B2-PLYP, mPW2-PLYP) are tested. In three cases, obvious errors of the experimental values could be detected, and accurate coupled-cluster [CCSD(T)] reference values have been used instead. It is found that only triple-zeta quality AO basis sets provide results close enough to the basis set limit and that sets like the popular 6-31G(d) should be avoided in accurate work. Augmentation of small basis sets with diffuse functions has a notable effect in B3-LYP calculations that is attributed to intramolecular basis set superposition error and covers basic deficiencies of the functional. The new methods based on perturbation theory (SCS-MP2, X2-PLYP) are found to be clearly superior to many other approaches; that is, they provide mean absolute deviations of less than 1.2 kcal mol-1 and only a few (computational thermochemistry methods.

  19. Chemical sensors technology development planning workshop

    Energy Technology Data Exchange (ETDEWEB)

    Bastiaans, G.J.; Haas, W.J. Jr.; Junk, G.A. [eds.

    1993-03-01

    The workshop participants were asked to: (1) Assess the current capabilities of chemical sensor technologies for addressing US Department of Energy (DOE) Environmental Restoration and Waste Management (EM) needs; (2) Estimate potential near term (one to two years) and intermediate term (three to five years) capabilities for addressing those needs; and (3) Generate a ranked list of specific recommendations on what research and development (R&D) should be funded to provide the necessary capabilities. The needs were described in terms of two pervasive EM problems, the in situ determination of chlorinated volatile organic compounds (VOCs), and selected metals in various matrices at DOE sites. The R&D recommendations were to be ranked according to the estimated likelihood that the product technology will be ready for application within the time frame it is needed and the estimated return on investment. The principal conclusions and recommendations of the workshop are as follows: Chemical sensors capable of in situ determinations can significantly reduce analytical costs; Chemical sensors have been developed for certain VOCs in gases and water but none are currently capable of in situ determination of VOCs in soils; The DOE need for in situ determination of metals in soils cannot be addressed with existing chemical sensors and the prospects for their availability in three to five years are uncertain; Adaptation, if necessary, and field application of laboratory analytical instruments and those few chemical sensors that are already in field testing is the best approach for the near term; The chemical sensor technology development plan should include balanced support for near- and intermediate-term efforts.

  20. Optimization model of peach production relevant to input energies – Yield function in Chaharmahal va Bakhtiari province, Iran

    International Nuclear Information System (INIS)

    Ghatrehsamani, Shirin; Ebrahimi, Rahim; Kazi, Salim Newaz; Badarudin Badry, Ahmad; Sadeghinezhad, Emad

    2016-01-01

    The aim of this study was to determine the amount of input–output energy used in peach production and to develop an optimal model of production in Chaharmahal va Bakhtiari province, Iran. Data were collected from 100 producers by administering a questionnaire in face-to-face interviews. Farms were selected based on random sampling method. Results revealed that the total energy of production is 47,951.52 MJ/ha and the highest share of energy consumption belongs to chemical fertilizers (35.37%). Consumption of direct energy was 47.4% while indirect energy was 52.6%. Also, Total energy consumption was divided into two groups; renewable and non-renewable (19.2% and 80.8% respectively). Energy use efficiency, Energy productivity, Specific energy and Net energy were calculated as 0.433, 0.228 (kg/MJ), 4.38 (MJ/kg) and −27,161.722 (MJ/ha), respectively. According to the negative sign for Net energy, if special strategy is used, energy dismiss will decrease and negative effect of some parameters could be omitted. In the present case the amount is indicating decimate of production energy. In addition, energy efficiency was not high enough. Some of the input energies were applied to machinery, chemical fertilizer, water irrigation and electricity which had significant effect on increasing production and MPP (marginal physical productivity) was determined for variables. This parameter was positive for energy groups namely; machinery, diesel fuel, chemical fertilizer, water irrigation and electricity while it was negative for other kind of energy such as chemical pesticides and human labor. Finally, there is a need to pursue a new policy to force producers to undertake energy-efficient practices to establish sustainable production systems without disrupting the natural resources. In addition, extension activities are needed to improve the efficiency of energy consumption and to sustain the natural resources. - Highlights: • Replacing non-renewable energy with renewable

  1. Energy-positive sewage sludge pre-treatment with a novel ultrasonic flatbed reactor at low energy input.

    Science.gov (United States)

    Lippert, Thomas; Bandelin, Jochen; Musch, Alexandra; Drewes, Jörg E; Koch, Konrad

    2018-05-20

    The performance of a novel ultrasonic flatbed reactor for sewage sludge pre-treatment was assessed for three different waste activated sludges. The study systematically investigated the impact of specific energy input (200 - 3,000 kJ/kg TS ) on the degree of disintegration (DD COD , i.e. ratio between ultrasonically and maximum chemically solubilized COD) and methane production enhancement. Relationship between DD COD and energy input was linear, for all sludges tested. Methane yields were significantly increased for both low (200 kJ/kg TS ) and high (2,000 - 3,000 kJ/kg TS ) energy inputs, while intermediate inputs (400 - 1,000 kJ/kg TS ) showed no significant improvement. High inputs additionally accelerated reaction kinetics, but were limited to similar gains as low inputs (max. 12%), despite the considerably higher DD COD values. Energy balance was only positive for 200 kJ/kg TS -treatments, with a maximum energy recovery of 122%. Results suggest that floc deagglomeration rather than cell lysis (DD COD =1% - 5% at 200 kJ/kg TS ) is the key principle of energy-positive sludge sonication. Copyright © 2018 Elsevier Ltd. All rights reserved.

  2. Composite materials for thermal energy storage: enhancing performance through microstructures.

    Science.gov (United States)

    Ge, Zhiwei; Ye, Feng; Ding, Yulong

    2014-05-01

    Chemical incompatibility and low thermal conductivity issues of molten-salt-based thermal energy storage materials can be addressed by using microstructured composites. Using a eutectic mixture of lithium and sodium carbonates as molten salt, magnesium oxide as supporting material, and graphite as thermal conductivity enhancer, the microstructural development, chemical compatibility, thermal stability, thermal conductivity, and thermal energy storage performance of composite materials are investigated. The ceramic supporting material is essential for preventing salt leakage and hence provides a solution to the chemical incompatibility issue. The use of graphite gives a significant enhancement on the thermal conductivity of the composite. Analyses suggest that the experimentally observed microstructural development of the composite is associated with the wettability of the salt on the ceramic substrate and that on the thermal conduction enhancer. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Chemical effects of low-energy electron impact on hydrocarbons in the gas phase. II. Propene

    International Nuclear Information System (INIS)

    Derai, R.; Danon, J.

    1977-01-01

    The chemical effects of low-energy (3.5 to 15.0 eV) electron impact on propene were investigated. The setup used for the irradiations has previously been described. Appearance curves for stable products were determined, from which correlations between products and precursors were deduced. In the excitation range, the main precursors are the triplet state at 4.4 eV and various singlet states around 7.0 and 9.0 eV. Above the ionization potential, contribution from superexcited molecules and ions was noted. Superexcited molecules are formed with a much higher cross section than excited molecules. A reaction scheme was proposed to account for the chemical effects associated with excited states and the yields of excited molecules in dissociating states were derived from experimental data. Results concerning the fragmentation of propene excited in singlet states conform to photolysis data. The following new results were obtained: the decomposition of propene excited in the triplet state at 4.4 eV involves mainly C--C bond rupture; the decomposition processes of superexcited and excited molecules are similar. A higher degree of fragmentation is observed in the case of superexcited molecules

  4. Integrated energy optimization with smart home energy management systems

    NARCIS (Netherlands)

    Asare-Bediako, B.; Ribeiro, P.F.; Kling, W.L.

    2012-01-01

    Optimization of energy use is a vital concept in providing solutions to many of the energy challenges in our world today. Large chemical, mechanical, pneumatic, hydraulic, and electrical systems require energy efficiency as one of the important aspects of operating systems. At the micro-scale, the

  5. Energy Conversion & Storage Program, 1993 annual report

    Energy Technology Data Exchange (ETDEWEB)

    Cairns, E.J.

    1994-06-01

    The Energy Conversion and Storage Program applies chemistry and materials science principles to solve problems in: production of new synthetic fuels; development of high-performance rechargeable batteries and fuel cells; development of high-efficiency thermochemical processes for energy conversion; characterization of complex chemical processes and chemical species; and the study and application of novel materials for energy conversion and transmission. Projects focus on transport-process principles, chemical kinetics, thermodynamics, chemical kinetics, thermodynamics, separation processes, organic and physical chemistry, novel materials, and advanced methods of analysis.

  6. Exploiting Sun's Energy Effectively as a Source of Renewable Energy

    Indian Academy of Sciences (India)

    Renewable energy, solar energy, photosynthesis, electrolysis, photocatalysis, photovoltaic cell. Abstract. Using Sun's energy effectively to drive important, industriallyrelevant chemical reactions is currently an area of researchthat is attracting a large attention. This route circumventsour reliance on non-renewable sources of ...

  7. Water transport and energy.

    Science.gov (United States)

    Fricke, Wieland

    2017-06-01

    Water transport in plants occurs along various paths and is driven by gradients in its free energy. It is generally considered that the mode of transport, being either diffusion or bulk flow, is a passive process, although energy may be required to sustain the forces driving water flow. This review aims at putting water flow at the various organisational levels (cell, organ, plant) in the context of the energy that is required to maintain these flows. In addition, the question is addressed (1) whether water can be transported against a difference in its chemical free energy, 'water potential' (Ψ), through, directly or indirectly, active processes; and (2) whether the energy released when water is flowing down a gradient in its energy, for example during day-time transpiration and cell expansive growth, is significant compared to the energy budget of plant and cell. The overall aim of review is not so much to provide a definite 'Yes' and 'No' to these questions, but rather to stimulate discussion and raise awareness that water transport in plants has its real, associated, energy costs and potential energy gains. © 2016 John Wiley & Sons Ltd.

  8. Energy storage

    International Nuclear Information System (INIS)

    2012-01-01

    After having outlined the importance of energy storage in the present context, this document outlines that it is an answer to economic, environmental and technological issues. It proposes a brief overview of the various techniques of energy storage: under the form of chemical energy (hydrocarbons, biomass, hydrogen production), thermal energy (sensitive or latent heat storage), mechanical energy (potential energy by hydraulic or compressed air storage, kinetic energy with flywheels), electrochemical energy (in batteries), electric energy (super-capacitors, superconductor magnetic energy storage). Perspectives are briefly evoked

  9. Aqueous chemical dosimetry

    International Nuclear Information System (INIS)

    Matthews, R.W.

    1982-01-01

    Aqueous chemical dosimetry based on ceric and ferrous sulfate solutions and on a number of fluorescence-induced systems is reviewed. Particular attention is given to the factors affecting the response of these dosimeters to radiation and the corrections necessary for more accurate dosimetry under various irradiation conditions. The effect of cerous and ceric ion, oxygen, and sulfuric acid concentration on the ceric dosimeter is discussed together with the effects of temperature, energy of radiation, degraded energy spectra, and peroxysulfuric acids. Practical aspects of ceric/cerous dosimetry are given. Although ferrous sulfate solution is the most important and widely studied reference dosimeter, general agreement has not been reached on the ''best'' value for the molar extinction coefficient of ferric ions nor on the correction necessary to the G(Fe 3 - ) value for irradiations at temperatures significantly different from 25 0 C. New data are presented which indicate that the larger temperature coefficients given in the literature are more accurate. The ferrous sulfate system has been of great importance in establishing the primary radiolytic yields for 0.4 M sulfuric acid solution; it is shown how the failure to take into account the effect of oxygen and ferrous sulfate concentrations has led to erroneously high estimates of the zero solute concentration values in acid solutions. Some of the methods for extending the dose ranges measurable with ferrous sulfate-based solutions are reviewed. Substances which on irradiation give highly fluorescent products are among the most sensitive aqueous chemical dosimeters. These include benzoate and terephthalate solutions and the more recent coumarin and trimesate solutions. Advantages and disadvantages system are discussed. (author)

  10. Process energy analysis

    International Nuclear Information System (INIS)

    Kaiser, V.

    1993-01-01

    In Chapter 2 process energy cost analysis for chemical processing is treated in a general way, independent of the specific form of energy and power production. Especially, energy data collection and data treatment, energy accounting (metering, balance setting), specific energy input, and utility energy costs and prices are discussed. (R.P.) 14 refs., 4 figs., 16 tabs

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

    Energy Technology Data Exchange (ETDEWEB)

    Fhager, V

    2000-01-01

    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%.

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

    International Nuclear Information System (INIS)

    Fhager, V.

    2000-01-01

    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%

  13. Theory of terahertz pumping of chemical environments in the condensed phase

    International Nuclear Information System (INIS)

    Mishra, Pankaj Kumar

    2015-12-01

    Newly emerged light-sources allow to generate fully synchronized, ultrashort and highly intense light pulses. With these light pulses, it is possible to initiate a process by a pump pulse and follow the dynamics via probe pulse in the femtosecond timescale. These pump-probe experiments play an important role for studying the chemical and biological processes in real time. Such techniques are also used to generate temperature-jump (T-jump) in ultrashort timescale to study the very fast kinetics of fundamental steps in chemical processes. Because of its biological and chemical relevance, T-jump experiments on liquid water have gained a lot of attention. Rather than acting as a passive environment, the dynamics of water during chemical and biological processes play a fundamental role in the solvation and stabilization of reaction intermediates. To target the O-H stretching mode of water with an infrared (IR) laser is a widely used mechanism to generate the T-jump in nanosecond to femtosecond timescales. With these techniques, T-jump has been limited only to few 10s of K so far. In this thesis, a new mechanism is investigated to generate T-jump up to few 100s of K in sub-ps timescale. The main portion of this thesis concentrates on the response of liquid water to sub-cycle THz pump pulses spectrally centered at 100 cm -1 (∝3 THz). The THz pump pulse with intensity of 5 x 10 12 W/cm 2 transfers a large amount of energy to inter- and intramolecular vibrations of water in sub-ps timescale. After the pump pulse, water reaches to a quasiequilibrium state, which is a gas-like hot liquid. The large energy gain in water causes significant structural modifications and vibrational shifting, which can be probed by timeresolved coherent x-ray scattering and time-resolved IR spectroscopy, respectively. Here, the interaction of THz pulse with water molecules is investigated from clusters to bulk water. We find it to be mainly described via the interaction of electric field with

  14. Chemical potentials of π- and π+ in heavy-ion collisions

    International Nuclear Information System (INIS)

    Gorenstejn, M.I.; Shin Nan Yang.

    1991-01-01

    We consider a chemical nonequilibrium model to describe the pion production in Ar+KCl and La+La collisions at initial energies E lab /A=(0.5-1.8) GeV/nucl. The excess of low energy π - is interpreted as the manifestation of positive chemical potential of π - at the thermal freeze out. We find that in collisions between nuclei with large atomic numbers the chemical potential of π + is smaller than that of π - . This leads to the prediction of a much less excess of low-energy π + , than as measured in the π - case, in heavy-ion collisions at bombarding energies in the region of 1 GeV/nucl. 17 refs.; 2 figs. (author)

  15. Energy price slump and policy response in the coal-chemical industry district: A case study of Ordos with a system dynamics model

    International Nuclear Information System (INIS)

    Wang, Delu; Ma, Gang; Song, Xuefeng; Liu, Yun

    2017-01-01

    We employ system dynamics method towards a coal-chemical industry district economy evolution model, using coal industry, the coal-chemical industry, their downstream industries, and the manufacture-related service industry. Moreover, we construct energy price and policy response scenarios based on Ordos’ management experience. The results show that the energy price slump had a negative impact on the overall economic development of the coal-chemical industry district, despite promoting non-resource industries. Furthermore, policies had different effects on the industry's output value and profit. In the long-term, developing alternative industries (AI) helps increase the industrial output value and profit. Decreasing value added tax (VAT) has immediate results and a distinctive effect on industrial short-term production value and profit, its long-term effect being limited. The effect of production limit (PL) on industrial profit is stronger than output value, and financial support (FS) is more conducive to improve the latter. However, coal mining and coal-chemical loan increases decrease the gross industrial profit level. Technology innovation (TI) has the best individual policy overall effect on production value and profits. Furthermore, the simultaneous implementation of PL, TI and AI can generate the synergy effect for each of them. And the simultaneous implementation of VAT and one or couple of other policies will generate the crowding-out effect both for VAT and other policies. - Highlights: • A system dynamics model of the coal-chemical industry district economy evolution in Ordos is constructed. • The impact of coal and oil prices slump on the output value and profit of each industry is revealed. • The differences in the effects especially cumulative effects of different response policies are clarified. • The crowding-out and synergy effects of policy implementation are analyzed.

  16. The thermodynamic approach to boron chemical vapour deposition based on a computer minimization of the total Gibbs free energy

    International Nuclear Information System (INIS)

    Naslain, R.; Thebault, J.; Hagenmuller, P.; Bernard, C.

    1979-01-01

    A thermodynamic approach based on the minimization of the total Gibbs free energy of the system is used to study the chemical vapour deposition (CVD) of boron from BCl 3 -H 2 or BBr 3 -H 2 mixtures on various types of substrates (at 1000 < T< 1900 K and 1 atm). In this approach it is assumed that states close to equilibrium are reached in the boron CVD apparatus. (Auth.)

  17. Forecasting global developments in the basic chemical industry for environmental policy analysis

    NARCIS (Netherlands)

    Broeren, M.L.M.|info:eu-repo/dai/nl/371687438; Saygin, D.; Patel, M.K.

    The chemical sector is the largest industrial energy user, but detailed analysis of its energy use developments lags behind other energy-intensive sectors. A cost-driven forecasting model for basic chemicals production is developed, accounting for regional production costs, demand growth and stock

  18. Coal chemical industry and its sustainable development in China

    International Nuclear Information System (INIS)

    Xie, Kechang; Li, Wenying; Zhao, Wei

    2010-01-01

    China is rich in coal resource, which is vital for energy security in this country. In early 21st century, the coal chemical industry in China will be oriented to the development of high efficiency, safety, cleanliness, and optimum utilization. In this review, the authors present an introduction to the utilization status of primary energy production and consumption in China. Since 2005, fundamental research studies, supported by the Ministry of Science and Technology of Chinese National Basic Research Program, have been carried out at Taiyuan University of Technology. The Ministry stresses that the new coal chemical industry should be developed in a sustainable manner to realize effective utilization of energy. Moreover, upgrading the high technology to improve actively the recycling processes of coal chemical engineering is of strategic importance to realize the modern coal chemical engineering.

  19. Thermal energy storage in granular deposits

    Science.gov (United States)

    Ratuszny, Paweł

    2017-10-01

    Energy storage technology is crucial for the development of the use of renewable energy sources. This is a substantial constraint, however it can, to some extent, be solved by storing energy in its various forms: electrical, mechanical, chemical and thermal. This article presents the results of research in thermal properties of granular deposits. Correlation between temperature changes in the stores over a period of time and their physical properties has been studied. The results of the research have practical application in designing thermal stores based on bulk materials and ground deposits. Furthermore, the research results are significant for regeneration of the lower ground sources for heat pumps and provide data for designing ground heat exchangers for ventilation systems.

  20. Simulation of an integrated gasification combined cycle with chemical-looping combustion and carbon dioxide sequestration

    International Nuclear Information System (INIS)

    Jiménez Álvaro, Ángel; López Paniagua, Ignacio; González Fernández, Celina; Rodríguez Martín, Javier; Nieto Carlier, Rafael

    2015-01-01

    Highlights: • A chemical-looping combustion based integrated gasification combined cycle is simulated. • The energetic performance of the plant is analyzed. • Different hydrogen-content synthesis gases are under study. • Energy savings accounting carbon dioxide sequestration and storage are quantified. • A notable increase on thermal efficiency up to 7% is found. - Abstract: Chemical-looping combustion is an interesting technique that makes it possible to integrate power generation from fuels combustion and sequestration of carbon dioxide without energy penalty. In addition, the combustion chemical reaction occurs with a lower irreversibility compared to a conventional combustion, leading to attain a somewhat higher overall thermal efficiency in gas turbine systems. This paper provides results about the energetic performance of an integrated gasification combined cycle power plant based on chemical-looping combustion of synthesis gas. A real understanding of the behavior of this concept of power plant implies a complete thermodynamic analysis, involving several interrelated aspects as the integration of energy flows between the gasifier and the combined cycle, the restrictions in relation with heat balances and chemical equilibrium in reactors and the performance of the gas turbines and the downstream steam cycle. An accurate thermodynamic modeling is required for the optimization of several design parameters. Simulations to evaluate the energetic efficiency of this chemical-looping-combustion based power plant under diverse working conditions have been carried out, and a comparison with a conventional integrated gasification power plant with precombustion capture of carbon dioxide has been made. Two different synthesis gas compositions have been tried to check its influence on the results. The energy saved in carbon capture and storage is found to be significant and even notable, inducing an improvement of the overall power plant thermal efficiency of

  1. Calculation of 0-0 excitation energies of organic molecules by CIS(D) quantum chemical methods

    International Nuclear Information System (INIS)

    Grimme, Stefan; Izgorodina, Ekaterina I.

    2004-01-01

    The accuracy and reliability of the CIS(D) quantum chemical method and a spin-component scaled variant (SCS-CIS(D)) are tested for calculating 0-0 excitation energies of organic molecules. The ground and excited state geometries and the vibrational zero-point corrections are taken from (TD)DFT-B3LYP calculations. In total 32 valence excited states of different character are studied: π → π* states of polycyclic aromatic compounds/polyenes and n → π* states of carbonyl, thiocarbonyl and aza(azo)-aromatic compounds. This set is augmented by two systems of special interest, i.e., indole and the TICT state of dimethylaminbenzonitrile (DMABN). Both methods predict excitation energies that are on average higher than experiment by about 0.2 eV. The errors are found to be quite systematic (with a standard deviation of about 0.15 eV) and especially SCS-CIS(D) provides a more balanced treatment of π → π* vs. n → π* states. For the test suite of states, both methods clearly outperform the (TD)DFT-B3LYP approach. Opposed to previous conclusions about the performance of CIS(D), these methods can be recommended as reliable and efficient tools for computational studies of excited state problems in organic chemistry. In order to obtain conclusive results, however, the use of optimized excited state geometries and comparison with observables (0-0 excitation energies) are necessary

  2. Inter-technology knowledge spillovers for energy technologies

    International Nuclear Information System (INIS)

    Nemet, Gregory F.

    2012-01-01

    Both anecdotal evidence and the innovation literature indicate that important advances in energy technology have made use of knowledge originating in other technological areas. This study uses the set of U.S. patents granted from 1976 to 2006 to assess the role of knowledge acquired from outside each energy patent's technological classification. It identifies the effect of external knowledge on the forward citation frequency of energy patents. The results support the claim above. Regression coefficients on citations to external prior art are positive and significant. Further, the effect of external citations is significantly larger than that of other types of citations. Conversely, citations to prior art that is technologically near have a negative effect on forward citation frequency. These results are robust across several alternative specifications and definitions of whether each flow of knowledge is external. Important energy patents have drawn heavily from external prior art categorized as chemical, electronics, and electrical; they cite very little prior art from computers, communications, and medical inventions.

  3. Recent progress in energy-filtered high energy X-ray photoemission electron microscopy using a Wien filter type energy analyzer

    International Nuclear Information System (INIS)

    Niimi, H.; Tsutsumi, T.; Matsudaira, H.; Kawasaki, T.; Suzuki, S.; Chun, W.-J.; Kato, M.; Kitajima, Y.; Iwasawa, Y.; Asakura, K.

    2004-01-01

    Energy-filtered X-ray photoemission electron microscopy (EXPEEM) is a microscopy technique which has the potential to provide surface chemical mapping during surface chemical processes on the nanometer scale. We studied the possibilities of EXPEEM using a Wien filter type energy analyzer in the high energy X-ray region above 1000 eV. We have successfully observed the EXPEEM images of Au islands on a Ta sheet using Au 3d 5/2 and Ta 3d 5/2 photoelectron peaks which were excited by 2380 eV X-rays emitted from an undulator (BL2A) at Photon Factory. Our recent efforts to improve the sensitivity of the Wien filter energy analyzer will also be discussed

  4. CHEMICAL ENGINEERING DIVISION SUMMARY REPORT

    Energy Technology Data Exchange (ETDEWEB)

    Lawroski, S.; Vogel, R. C.; Levenson, Milton; Munnecke, V. H.

    1963-07-01

    Work reported includes: Chemical-Metallurgical Processing; Fuel Cycle Applications of Volatility and Fluidization Techniques; Calorimetry; Reactor Safety; Energy Conversion; and Determination of Nuclear Constants.

  5. Significance of high energy spin effects in constituent pictures

    International Nuclear Information System (INIS)

    Chen, C.K.

    1977-01-01

    The spin information about high energy hadronic reactions is important for further understanding of the nature and the behavior of hadronic constituents. The usefulness of the information is discussed in the cases of dilepton production from hadronic collisions, large P/sub T/ inclusive and elastic scatterings, and small angle elastic scattering and quantum number exchanged reactions

  6. Energy conservation through heat recovery steam generators at Engro Chemical Pakistan Ltd

    International Nuclear Information System (INIS)

    Qadir, A.; Akbar, K.N.

    2002-01-01

    With the deregulation of the nitrogenous fertilizer industry in Pakistan in 1986, the scenario changed for major energy conservation projects. In addition the government also started escalating the prices of natural gas. At this point they reactivated their major energy conservations projects. The plant was designed prior to the energy crisis period at the point when energy consumption was not a very major consideration. As a result, many of the energy conserving features built into subsequent plants were not included. On the gas turbine side, several changes were required in order to allow that the installation of the HRSG's. The gas turbine had to be upgraded to allow air flow due to the increased back pressure following installation of the HRSG's. Also with the uprate, the gas turbine control system had to be upgraded. The off take ducks for the HRSGs also required a design modification on the gas turbine exhaust to allow for a flanged connection, and the silencers in the exhaust duct had to be removed. The savings of natural gas was as per projections. Presently, with auxiliary firing, the HRSG's are producing 140,000 pph of steam. Their site total gas consumption has reduced by 10.6% or approximately 4 to 4.4 million CFD. In addition, the HRGS's have also provided significant ease of operation and flexibility. Of the three offsite boilers, two have been shut down and only one is operational. (A.B.)

  7. Gamma-ray energy absorption and exposure buildup factor studies in some human tissues with endometriosis

    Energy Technology Data Exchange (ETDEWEB)

    Kurudirek, Murat, E-mail: mkurudirek@gmail.co [Faculty of Science, Department of Physics, Ataturk University, 25240 Erzurum (Turkey); Dogan, Bekir [Faculty of Science, Department of Physics, Ataturk University, 25240 Erzurum (Turkey); Ingec, Metin [Faculty of Medicine, Department of Obstetrics and Gynecology, Ataturk University, 25240 Erzurum (Turkey); Ekinci, Neslihan; Ozdemir, Yueksel [Faculty of Science, Department of Physics, Ataturk University, 25240 Erzurum (Turkey)

    2011-02-15

    Human tissues with endometriosis have been analyzed in terms of energy absorption (EABF) and exposure (EBF) buildup factors using the five-parameter geometric progression (G-P) fitting formula in the energy region 0.015-15 MeV up to a penetration depth of 40 mfp (mean free path). Chemical compositions of the tissue samples were determined using a wavelength dispersive X-ray fluorescence spectrometer (WDXRFS). Possible conclusions were drawn due to significant variations in EABF and EBF for the selected tissues when photon energy, penetration depth and chemical composition changed. Buildup factors so obtained may be of use when the method of choice for treatment of endometriosis is radiotherapy.

  8. Chemical sensors technology development planning workshop

    International Nuclear Information System (INIS)

    Bastiaans, G.J.; Haas, W.J. Jr.; Junk, G.A.

    1993-03-01

    The workshop participants were asked to: (1) Assess the current capabilities of chemical sensor technologies for addressing US Department of Energy (DOE) Environmental Restoration and Waste Management (EM) needs; (2) Estimate potential near term (one to two years) and intermediate term (three to five years) capabilities for addressing those needs; and (3) Generate a ranked list of specific recommendations on what research and development (R ampersand D) should be funded to provide the necessary capabilities. The needs were described in terms of two pervasive EM problems, the in situ determination of chlorinated volatile organic compounds (VOCs), and selected metals in various matrices at DOE sites. The R ampersand D recommendations were to be ranked according to the estimated likelihood that the product technology will be ready for application within the time frame it is needed and the estimated return on investment. The principal conclusions and recommendations of the workshop are as follows: Chemical sensors capable of in situ determinations can significantly reduce analytical costs; Chemical sensors have been developed for certain VOCs in gases and water but none are currently capable of in situ determination of VOCs in soils; The DOE need for in situ determination of metals in soils cannot be addressed with existing chemical sensors and the prospects for their availability in three to five years are uncertain; Adaptation, if necessary, and field application of laboratory analytical instruments and those few chemical sensors that are already in field testing is the best approach for the near term; The chemical sensor technology development plan should include balanced support for near- and intermediate-term efforts

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

    Science.gov (United States)

    Lindroth, A.; Mölder, M.; Lagergren, F.

    2009-08-01

    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 occurred at maximum instability. Our conclusion is that eddy

  10. Energy efficiency benchmarking of energy-intensive industries in Taiwan

    International Nuclear Information System (INIS)

    Chan, David Yih-Liang; Huang, Chi-Feng; Lin, Wei-Chun; Hong, Gui-Bing

    2014-01-01

    Highlights: • Analytical tool was applied to estimate the energy efficiency indicator of energy intensive industries in Taiwan. • The carbon dioxide emission intensity in selected energy-intensive industries is also evaluated in this study. • The obtained energy efficiency indicator can serve as a base case for comparison to the other regions in the world. • This analysis results can serve as a benchmark for selected energy-intensive industries. - Abstract: Taiwan imports approximately 97.9% of its primary energy as rapid economic development has significantly increased energy and electricity demands. Increased energy efficiency is necessary for industry to comply with energy-efficiency indicators and benchmarking. Benchmarking is applied in this work as an analytical tool to estimate the energy-efficiency indicators of major energy-intensive industries in Taiwan and then compare them to other regions of the world. In addition, the carbon dioxide emission intensity in the iron and steel, chemical, cement, textile and pulp and paper industries are evaluated in this study. In the iron and steel industry, the energy improvement potential of blast furnace–basic oxygen furnace (BF–BOF) based on BPT (best practice technology) is about 28%. Between 2007 and 2011, the average specific energy consumption (SEC) of styrene monomer (SM), purified terephthalic acid (PTA) and low-density polyethylene (LDPE) was 9.6 GJ/ton, 5.3 GJ/ton and 9.1 GJ/ton, respectively. The energy efficiency of pulping would be improved by 33% if BAT (best available technology) were applied. The analysis results can serve as a benchmark for these industries and as a base case for stimulating changes aimed at more efficient energy utilization

  11. Recent Advances in Photoelectrochemical Applications of Silicon Materials for Solar-to-Chemicals Conversion.

    Science.gov (United States)

    Zhang, Doudou; Shi, Jingying; Zi, Wei; Wang, Pengpeng; Liu, Shengzhong Frank

    2017-11-23

    Photoelectrochemical (PEC) technology for the conversion of solar energy into chemicals requires cost-effective photoelectrodes to efficiently and stably drive anodic and/or cathodic half-reactions to complete the overall reactions for storing solar energy in chemical bonds. The shared properties among semiconducting photoelectrodes and photovoltaic (PV) materials are light absorption, charge separation, and charge transfer. Earth-abundant silicon materials have been widely applied in the PV industry, and have demonstrated their efficiency as alternative photoabsorbers for photoelectrodes. Many efforts have been made to fabricate silicon photoelectrodes with enhanced performance, and significant progress has been achieved in recent years. Herein, recent developments in crystalline and thin-film silicon-based photoelectrodes (including amorphous, microcrystalline, and nanocrystalline silicon) immersed in aqueous solution for PEC hydrogen production from water splitting are summarized, as well as applications in PEC CO 2 reduction and PEC regeneration of discharged species in redox flow batteries. Silicon is an ideal material for the cost-effective production of solar chemicals through PEC methods. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Sputtering of carbon using hydrogen ion beams with energies of 60–800 eV

    Energy Technology Data Exchange (ETDEWEB)

    Sidorov, Dmitry S., E-mail: dmitrisidoroff@rambler.ru [Nizhny Novgorod State University, 23 Gagarina Avenue, Nizhny Novgorod, Nizhny Novgorod Region 603950 (Russian Federation); Chkhalo, Nikolay I., E-mail: chkhalo@ipm.sci-nnov.ru [Institute for Physics of Microstructures RAS, Academicheskaya Str. 7, Afonino, Nizhny Novgorod Region, Kstovsky District, Kstovo Region 603087 (Russian Federation); Mikhailenko, Mikhail S.; Pestov, Alexey E.; Polkovnikov, Vladimir N. [Institute for Physics of Microstructures RAS, Academicheskaya Str. 7, Afonino, Nizhny Novgorod Region, Kstovsky District, Kstovo Region 603087 (Russian Federation)

    2016-11-15

    This article presents the result of a study on the sputtering of carbon films by low-energy hydrogen ions. In particular, the etching rate and surface roughness were measured. The range of energies where the sputtering switches from pure chemical to a combination of chemical and physical mechanisms was determined. It is shown that Sigmund’s theory for ion etching does not work well for fields of energy less than 150 eV and that it accurately describes the dependence of a sputtering coefficient on ion energy for energies greater than 300 eV. A strong smoothing effect for the surface of carbon film was also found. This result is interesting in itself and for its significance for the manufacture of super-smooth surfaces for X-ray applications.

  13. Process/Equipment Co-Simulation on Syngas Chemical Looping Process

    Energy Technology Data Exchange (ETDEWEB)

    Zeng, Liang; Zhou, Qiang; Fan, Liang-Shih

    2012-09-30

    The chemical looping strategy for fossil energy applications promises to achieve an efficient energy conversion system for electricity, liquid fuels, hydrogen and/or chemicals generation, while economically separate CO{sub 2} by looping reaction design in the process. Chemical looping particle performance, looping reactor engineering, and process design and applications are the key drivers to the success of chemical looping process development. In order to better understand and further scale up the chemical looping process, issues such as cost, time, measurement, safety, and other uncertainties need to be examined. To address these uncertainties, advanced reaction/reactor modeling and process simulation are highly desired and the modeling efforts can accelerate the chemical looping technology development, reduce the pilot-scale facility design time and operating campaigns, as well as reduce the cost and technical risks. The purpose of this work is thus to conduct multiscale modeling and simulations on the key aspects of chemical looping technology, including particle reaction kinetics, reactor design and operation, and process synthesis and optimization.

  14. Energy Conversion and Storage Program

    Energy Technology Data Exchange (ETDEWEB)

    Cairns, E.J.

    1992-03-01

    The Energy Conversion and Storage Program applies chemistry and materials science principles to solve problems in (1) production of new synthetic fuels, (2) development of high-performance rechargeable batteries and fuel cells, (3) development of advanced thermochemical processes for energy conversion, (4) characterization of complex chemical processes, and (5) application of novel materials for energy conversion and transmission. Projects focus on transport-process principles, chemical kinetics, thermodynamics, separation processes, organic and physical chemistry, novel materials, and advanced methods of analysis. Electrochemistry research aims to develop advanced power systems for electric vehicle and stationary energy storage applications. Topics include identification of new electrochemical couples for advanced rechargeable batteries, improvements in battery and fuel-cell materials, and the establishment of engineering principles applicable to electrochemical energy storage and conversion. Chemical Applications research includes topics such as separations, catalysis, fuels, and chemical analyses. Included in this program area are projects to develop improved, energy-efficient methods for processing waste streams from synfuel plants and coal gasifiers. Other research projects seek to identify and characterize the constituents of liquid fuel-system streams and to devise energy-efficient means for their separation. Materials Applications research includes the evaluation of the properties of advanced materials, as well as the development of novel preparation techniques. For example, the use of advanced techniques, such as sputtering and laser ablation, are being used to produce high-temperature superconducting films.

  15. From Bunsen Burners to Fuel Cells: Invoking Energy Transducers to Exemplify "Paths" and Unify the Energy-Related Concepts of Thermochemistry and Thermodynamics

    Science.gov (United States)

    Hladky, Paul W.

    2009-01-01

    The conversion of chemical energy entirely into thermal energy by Bunsen burners and into thermal energy and electrical energy by fuel cells of varying efficiencies illustrates different paths by which a chemical reaction can occur. Using the efficiency of producing electrical energy as a path label allows all of the energy-related quantities to…

  16. Chemical effects of radiation

    International Nuclear Information System (INIS)

    Philips, G.O.

    1986-01-01

    Ionizing radiations initiate chemical changes in materials because of the high energy of their quanta. In water, highly reactive free radicals are produced which can initiate secondary changes of solutes, and in chemical of biological molecules in contact with the water. Free radicals can also be directly produced in irradiated medical products. Their fate can be identified and the molecular basis of radiation inactivation clarified. Methods have now been developed to protect and minimise such radiation damage. (author)

  17. A rapid method for the computation of equilibrium chemical composition of air to 15000 K

    Science.gov (United States)

    Prabhu, Ramadas K.; Erickson, Wayne D.

    1988-01-01

    A rapid computational method has been developed to determine the chemical composition of equilibrium air to 15000 K. Eleven chemically reacting species, i.e., O2, N2, O, NO, N, NO+, e-, N+, O+, Ar, and Ar+ are included. The method involves combining algebraically seven nonlinear equilibrium equations and four linear elemental mass balance and charge neutrality equations. Computational speeds for determining the equilibrium chemical composition are significantly faster than the often used free energy minimization procedure. Data are also included from which the thermodynamic properties of air can be computed. A listing of the computer program together with a set of sample results are included.

  18. Status of photoelectrochemical production of hydrogen and electrical energy

    Science.gov (United States)

    Byvik, C. E.; Walker, G. H.

    1976-01-01

    The efficiency for conversion of electromagnetic energy to chemical and electrical energy utilizing semiconductor single crystals as photoanodes in electrochemical cells was investigated. Efficiencies as high as 20 percent were achieved for the conversion of 330 nm radiation to chemical energy in the form of hydrogen by the photoelectrolysis of water in a SrTiO3 based cell. The SrTiO3 photoanodes were shown to be stable in 9.5 M NaOH solutions for periods up to 48 hours. Efficiencies of 9 percent were measured for the conversion of broadband visible radiation to hydrogen using n-type GaAs crystals as photoanodes. Crystals of GaAs coated with 500 nm of gold, silver, or tin for surface passivation show no significant change in efficiency. By suppressing the production of hydrogen in a CdSe-based photogalvanic cell, an efficiency of 9 percent was obtained in conversion of 633 nm light to electrical energy. A CdS-based photogalvanic cell produced a conversion efficiency of 5 percent for 500 nm radiation.

  19. The prospects for hydrogen as an energy carrier: an overview of hydrogen energy and hydrogen energy systems

    International Nuclear Information System (INIS)

    Rosen, Marc A.; Koohi-Fayegh, Seama

    2016-01-01

    Hydrogen is expected to play a key role as an energy carrier in future energy systems of the world. As fossil-fuel supplies become scarcer and environmental concerns increase, hydrogen is likely to become an increasingly important chemical energy carrier and eventually may become the principal chemical energy carrier. When most of the world's energy sources become non-fossil based, hydrogen and electricity are expected to be the two dominant energy carriers for the provision of end-use services. In such a ''hydrogen economy,'' the two complementary energy carriers, hydrogen and electricity, are used to satisfy most of the requirements of energy consumers. A transition era will bridge the gap between today's fossil-fuel economy and a hydrogen economy, in which non-fossil-derived hydrogen will be used to extend the lifetime of the world's fossil fuels - by upgrading heavy oils, for instance - and the infrastructure needed to support a hydrogen economy is gradually developed. In this paper, the role of hydrogen as an energy carrier and hydrogen energy systems' technologies and their economics are described. Also, the social and political implications of hydrogen energy are examined, and the questions of when and where hydrogen is likely to become important are addressed. Examples are provided to illustrate key points. (orig.)

  20. EDXRF for determination of chemical elements in the beetle Alphitobius diaperinus

    International Nuclear Information System (INIS)

    Cantinha, Rebeca S.; Farias, Emerson E.G. de; Magalhaes, Marcelo L.R. de; Franca, Elvis J. de; Cunha, Franklin M. da; Zacarias, Vyvyane L.

    2015-01-01

    Energy Dispersion X-Ray Fluorescence (EDXRF) spectrometry has been widely employed for chemical element determination of biological matrices, including insects. The beetle Alphitobius diaperinus is a major problem in poultry production, thereby infesting poultry litter and stored grains. Up to now, little is known about the behavior, physiology and environmental interactions of this insect. In this paper, EDXRF was applied to quantify the main chemical elements in A. diaperinus. For the quality of the analytical protocol, certified reference materials produced by National Institute of Standards and Technology - NIST were analyzed together with the samples. The technique was able to quantify Cl, P, S and Zn in this insect, presenting no significant variation at the 95% confidence level among the repetitions (n = 4). A different pattern of chemical element accumulation in this beetle was noticed compared to other Coleoptera species, in which the concentration of the chemical elements were markedly lower in A. diaperinus, probably associated to the restricted availability of chemical elements in food. Since no result has been found in the literature before, A. diaperinus was firstly chemically characterized in this paper. (author)

  1. EDXRF for determination of chemical elements in the beetle Alphitobius diaperinus

    Energy Technology Data Exchange (ETDEWEB)

    Cantinha, Rebeca S.; Farias, Emerson E.G. de; Magalhaes, Marcelo L.R. de; Franca, Elvis J. de, E-mail: rebecanuclear@gmail.com, E-mail: emersonemiliano@yahoo.com.br, E-mail: marcelo_rlm@hotmail.com, E-mail: ejfranca@cnen.gov.br [Centro Regional de Ciencias Nucleares do Nordeste (CRCN-NE/CNEN-PE), Recife, PE (Brazil); Cunha, Franklin M. da; Zacarias, Vyvyane L., E-mail: ukento@yahoo.com.br, E-mail: vyvyanebiologicas@gmail.com [Universidade Federal Rural de Pernambuco (UFRPE), Recife, PE (Brazil)

    2015-07-01

    Energy Dispersion X-Ray Fluorescence (EDXRF) spectrometry has been widely employed for chemical element determination of biological matrices, including insects. The beetle Alphitobius diaperinus is a major problem in poultry production, thereby infesting poultry litter and stored grains. Up to now, little is known about the behavior, physiology and environmental interactions of this insect. In this paper, EDXRF was applied to quantify the main chemical elements in A. diaperinus. For the quality of the analytical protocol, certified reference materials produced by National Institute of Standards and Technology - NIST were analyzed together with the samples. The technique was able to quantify Cl, P, S and Zn in this insect, presenting no significant variation at the 95% confidence level among the repetitions (n = 4). A different pattern of chemical element accumulation in this beetle was noticed compared to other Coleoptera species, in which the concentration of the chemical elements were markedly lower in A. diaperinus, probably associated to the restricted availability of chemical elements in food. Since no result has been found in the literature before, A. diaperinus was firstly chemically characterized in this paper. (author)

  2. The potential of (waste)water as energy carrier

    International Nuclear Information System (INIS)

    Frijns, Jos; Hofman, Jan; Nederlof, Maarten

    2013-01-01

    Graphical abstract: Energy input and potential output of the Dutch communal water cycle. Highlights: ► Municipal wastewater is a large carrier of chemical and thermal energy. ► The recovery of chemical energy from wastewater can be maximised by digestion. ► The potential of thermal energy recovery from wastewater is huge. ► Underground thermal energy storage is a rapidly developing renewable energy source. - Abstract: Next to energy efficiency improvements in the water sector, there is a need for new concepts in which water is viewed as a carrier of energy. Municipal wastewater is a potential source of chemical energy, i.e. organic carbon that can be recovered as biogas in sludge digestion. The recovery of chemical energy can be maximised by up-concentration of organic carbon and maximised sludge digestion or by source separation and anaerobic treatment. Even more so, domestic wastewater is a source of thermal energy. Through warm water conservation and heat recovery, for example with shower heat exchangers, substantial amounts of energy can be saved and recovered from the water cycle. Water can also be an important renewable energy source, i.e. as underground thermal energy storage. These systems are developing rapidly in the Netherlands and their energy potential is large.

  3. Versatile Optimization of Chemical Ordering in Bimetallic Nanoparticles

    KAUST Repository

    Kovács, Gábor

    2017-01-05

    Chemical ordering in bimetallic nanocrystallites can now be efficiently determined by density-functional calculations with the help of topological energy expressions. Herein, we deal with extending the usage of that computational scheme. We show that it enables one to structurally characterize bimetallic nanoparticles of less regular shapes than previously studied magic-type particles. In fcc Pd–Au particles of different shapes (cuboctahedral Pd58Au58, C3v Pd61Au61, cubic Pd68Au67, and truncated octahedral Pd70Au70), we identify the surface segregation of gold as the driving force to the lowest-energy chemical ordering. We applied the calculated descriptor values quantifying the segregation propensity of Au and energies of Pd–Au bonds in these ∼1.5 nm large particles to optimize and analyze the chemical ordering in 3.7–6 nm large Pd–Au particles. We also discuss how to predict the chemical ordering in nanoalloys at elevated temperatures. The present study paves the way to advanced structural investigations of nanoalloys to substantially accelerate their knowledge-driven engineering and manufacturing.

  4. Versatile Optimization of Chemical Ordering in Bimetallic Nanoparticles

    KAUST Repository

    Ková cs, Gá bor; Kozlov, Sergey M.; Neyman, Konstantin M.

    2017-01-01

    Chemical ordering in bimetallic nanocrystallites can now be efficiently determined by density-functional calculations with the help of topological energy expressions. Herein, we deal with extending the usage of that computational scheme. We show that it enables one to structurally characterize bimetallic nanoparticles of less regular shapes than previously studied magic-type particles. In fcc Pd–Au particles of different shapes (cuboctahedral Pd58Au58, C3v Pd61Au61, cubic Pd68Au67, and truncated octahedral Pd70Au70), we identify the surface segregation of gold as the driving force to the lowest-energy chemical ordering. We applied the calculated descriptor values quantifying the segregation propensity of Au and energies of Pd–Au bonds in these ∼1.5 nm large particles to optimize and analyze the chemical ordering in 3.7–6 nm large Pd–Au particles. We also discuss how to predict the chemical ordering in nanoalloys at elevated temperatures. The present study paves the way to advanced structural investigations of nanoalloys to substantially accelerate their knowledge-driven engineering and manufacturing.

  5. Annual Report 1998: Chemical Structure and Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    SD Colson; RS McDowell

    1999-05-10

    The Chemical Structure and Dynamics (CS&D) program is a major component of the William R. Wiley Environmental Molecular Sciences Labo- ratory (EMSL), developed by Pacific Northwest National Laboratory (PNNL) to provide a state-of- the-art collaborative facility for studies of chemical structure and dynamics. We respond to the need for a fundamental, molecular-level understanding of chemistry at a wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interracial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in envi- ronmental chemistry and in nuclear waste proc- essing and storage; and (3) developing state-of- the-art analytical methods for characterizing com- plex materials of the types found in stored wastes and contaminated soils, and for detecting and monitoring trace atmospheric species. Our program aims at achieving a quantitative understanding of chemical reactions at interfaces and, more generally, in condensed media, compa- rable to that currently available for gas-phase reactions. This understanding will form the basis for the development of a priori theories for pre- dicting macroscopic chemical behavior in con- densed and heterogeneous media, which will add significantly to the value of field-scale envi- ronmental models, predictions of short- and long- term nuclear waste storage stabilities, and other areas related to the primary missions of the U.S. Department of Energy (DOE).

  6. Complete Au@ZnO core-shell nanoparticles with enhanced plasmonic absorption enabling significantly improved photocatalysis

    Science.gov (United States)

    Sun, Yiqiang; Sun, Yugang; Zhang, Tao; Chen, Guozhu; Zhang, Fengshou; Liu, Dilong; Cai, Weiping; Li, Yue; Yang, Xianfeng; Li, Cuncheng

    2016-05-01

    Nanostructured ZnO exhibits high chemical stability and unique optical properties, representing a promising candidate among photocatalysts in the field of environmental remediation and solar energy conversion. However, ZnO only absorbs the UV light, which accounts for less than 5% of total solar irradiation, significantly limiting its applications. In this article, we report a facile and efficient approach to overcome the poor wettability between ZnO and Au by carefully modulating the surface charge density on Au nanoparticles (NPs), enabling rapid synthesis of Au@ZnO core-shell NPs at room temperature. The resulting Au@ZnO core-shell NPs exhibit a significantly enhanced plasmonic absorption in the visible range due to the Au NP cores. They also show a significantly improved photocatalytic performance in comparison with their single-component counterparts, i.e., the Au NPs and ZnO NPs. Moreover, the high catalytic activity of the as-synthesized Au@ZnO core-shell NPs can be maintained even after many cycles of photocatalytic reaction. Our results shed light on the fact that the Au@ZnO core-shell NPs represent a promising class of candidates for applications in plasmonics, surface-enhanced spectroscopy, light harvest devices, solar energy conversion, and degradation of organic pollutants.Nanostructured ZnO exhibits high chemical stability and unique optical properties, representing a promising candidate among photocatalysts in the field of environmental remediation and solar energy conversion. However, ZnO only absorbs the UV light, which accounts for less than 5% of total solar irradiation, significantly limiting its applications. In this article, we report a facile and efficient approach to overcome the poor wettability between ZnO and Au by carefully modulating the surface charge density on Au nanoparticles (NPs), enabling rapid synthesis of Au@ZnO core-shell NPs at room temperature. The resulting Au@ZnO core-shell NPs exhibit a significantly enhanced plasmonic

  7. Energy consumption assessment methods

    Energy Technology Data Exchange (ETDEWEB)

    Sutherland, K S

    1975-01-01

    The why, what, and how-to aspects of energy audits for industrial plants, and the application of energy accounting methods to a chemical plant in order to assess energy conservation possibilities are discussed. (LCL)

  8. Determination of Energy Use Efficiency of Sesame Production

    OpenAIRE

    BARAN, Mehmet Firat

    2018-01-01

    In this research it was aimed to determine an energy use efficiency of sesame production in Şanlıurfa province, during the production season of 2015. In order to determine the energy use efficiency of sesame production, trials and measurement were performed in sesame farm in the Bozova district of Şanlıurfa province. As energy inputs, human labour energy, machinery energy, chemical fertilizers energy, irrigation water energy, chemicals energy, diesel fuel energy and seed energy as were calcul...

  9. Mo- and V-catalyzed transformation of biomass into high-value chemicals

    DEFF Research Database (Denmark)

    Nielsen, Lasse Bo; Dethlefsen, Johannes Rytter; Lupp, Daniel

    2014-01-01

    The possibility of converting biomass into higher-value chemicals has received increased attention over the last few years. If biomass could be converted into biofules or platform chemicals, then it could constitute a large source of renewable energy and economy for society.......The possibility of converting biomass into higher-value chemicals has received increased attention over the last few years. If biomass could be converted into biofules or platform chemicals, then it could constitute a large source of renewable energy and economy for society....

  10. Demonstration of EnergyNest thermal energy storage (TES) technology

    Science.gov (United States)

    Hoivik, Nils; Greiner, Christopher; Tirado, Eva Bellido; Barragan, Juan; Bergan, Pâl; Skeie, Geir; Blanco, Pablo; Calvet, Nicolas

    2017-06-01

    This paper presents the experimental results from the EnergyNest 2 × 500 kWhth thermal energy storage (TES) pilot system installed at Masdar Institute of Science & Technology Solar Platform. Measured data are shown and compared to simulations using a specially developed computer program to verify the stability and performance of the TES. The TES is based on a solid-state concrete storage medium (HEATCRETE®) with integrated steel tube heat exchangers cast into the concrete. The unique concrete recipe used in the TES has been developed in collaboration with Heidelberg Cement; this material has significantly higher thermal conductivity compared to regular concrete implying very effective heat transfer, at the same time being chemically stable up to 450 °C. The demonstrated and measured performance of the TES matches the predictions based on simulations, and proves the operational feasibility of the EnergyNest concrete-based TES. A further case study is analyzed where a large-scale TES system presented in this article is compared to two-tank indirect molten salt technology.

  11. The contribution of enzymes and process chemicals to the life cycle of ethanol

    International Nuclear Information System (INIS)

    MacLean, Heather L; Spatari, Sabrina

    2009-01-01

    Most life cycle studies of biofuels have not examined the impact of process chemicals and enzymes, both necessary inputs to biochemical production and which vary depending upon the technology platform (feedstock, pretreatment and hydrolysis system). We examine whether this omission is warranted for sugar-platform technologies. We develop life cycle ('well-to-tank') case studies for a corn dry-mill and for one 'mature' and two near-term lignocellulosic ethanol technologies. Process chemical and enzyme inputs contribute only 3% of fossil energy use and greenhouse gas (GHG) emissions for corn ethanol. Assuming considerable improvement compared to current enzyme performance, the inputs for the near-term lignocellulosic technologies studied are found to be responsible for 30%-40% of fossil energy use and 30%-35% of GHG emissions, not an insignificant fraction given that these models represent technology developers' nth plant performance. Mature technologies which assume lower chemical and enzyme loadings, high enzyme specific activity and on-site production utilizing renewable energy would significantly improve performance. Although the lignocellulosic technologies modeled offer benefits over today's corn ethanol through reducing life cycle fossil energy demand and GHG emissions by factors of three and six, achieving those performance levels requires continued research into and development of the manufacture of low dose, high specific activity enzyme systems. Realizing the benefits of low carbon fuels through biological conversion will otherwise not be possible. Tracking the technological performance of process conversion materials remains an important step in measuring the life cycle performance of biofuels.

  12. Accurate quantum chemical calculations

    Science.gov (United States)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.

    1989-01-01

    An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the computational resources required to achieve such accuracy are very large, and second, it is not straightforward to demonstrate that an apparently accurate result, in terms of agreement with experiment, does not result from a cancellation of errors. Recent advances in electronic structure methodology, coupled with the power of vector supercomputers, have made it possible to solve a number of electronic structure problems exactly using the full configuration interaction (FCI) method within a subspace of the complete Hilbert space. These exact results can be used to benchmark approximate techniques that are applicable to a wider range of chemical and physical problems. The methodology of many-electron quantum chemistry is reviewed. Methods are considered in detail for performing FCI calculations. The application of FCI methods to several three-electron problems in molecular physics are discussed. A number of benchmark applications of FCI wave functions are described. Atomic basis sets and the development of improved methods for handling very large basis sets are discussed: these are then applied to a number of chemical and spectroscopic problems; to transition metals; and to problems involving potential energy surfaces. Although the experiences described give considerable grounds for optimism about the general ability to perform accurate calculations, there are several problems that have proved less tractable, at least with current computer resources, and these and possible solutions are discussed.

  13. 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.

  14. Significant impacts of heterogeneous reactions on the chemical composition and mixing state of dust particles: A case study during dust events over northern China

    Science.gov (United States)

    Wang, Zhe; Pan, Xiaole; Uno, Itsushi; Li, Jie; Wang, Zifa; Chen, Xueshun; Fu, Pingqing; Yang, Ting; Kobayashi, Hiroshi; Shimizu, Atsushi; Sugimoto, Nobuo; Yamamoto, Shigekazu

    2017-06-01

    The impact of heterogeneous reactions on the chemical components and mixing state of dust particles are investigated by observations and an air quality model over northern China between March 27, 2015 and April 2, 2015. Synergetic observations were conducted using a polarization optical particle counter (POPC), a depolarized two-wavelength Lidar and filter samples in Beijing. During this period, dust plume passed through Beijing on March 28, and flew back on March 29 because of synoptic weather changes. Mineral dust mixed with anthropogenic pollutants was simulated using the Nested Air Quality Prediction Modeling System (NAQPMS) to examine the role of heterogeneous processes on the dust. A comparison of observations shows that the NAQPMS successfully reproduces the time series of the vertical profile, particulate matter concentration, and chemical components of fine mode (diameter ≤ 2.5 μm) and coarse mode (2.5 μm mixed with dust particles. The significant alterations of the chemical composition and mixing state of particles due to heterogeneous reactions are important for the direct and indirect climate effects of dust and anthropogenic aerosols.

  15. Chemical Engineering in Space

    Science.gov (United States)

    Lobmeyer, Dennis A.; Meneghelli, Barry; Steinrock, Todd (Technical Monitor)

    2001-01-01

    The aerospace industry has long been perceived as the domain of both physicists and mechanical engineers. This perception has endured even though the primary method of providing the thrust necessary to launch a rocket into space is chemical in nature. The chemical engineering and chemistry personnel behind the systems that provide access to space have labored in the shadows of the physicists and mechanical engineers. As exploration into the cosmos moves farther away from Earth, there is a very distinct need for new chemical processes to help provide the means for advanced space exploration. The state of the art in launch systems uses chemical propulsion systems, primarily liquid hydrogen and liquid oxygen, to provide the energy necessary to achieve orbit. As we move away from Earth, there are additional options for propulsion. Unfortunately, few of these options can compare to the speed or ease of use provided by the chemical propulsion agents. It is with great care and significant cost that gaseous compounds such as hydrogen and oxygen are liquefied and become dense enough to use for rocket fuel. These low-temperature liquids fall within a specialty area known as cryogenics. Cryogenics, the science and art of producing cold operating conditions for use on Earth, in orbit, or on some other nonterrestrial body, has become increasingly important to our ability to travel within our solar system. The production of cryogenic fuels and the long-term storage of these fluids are necessary for travel. As our explorations move farther away from Earth, we need to address how to produce the necessary fuels to make a round-trip. The cost and the size of these expeditions are extreme at best. If we take everything necessary for our survival for the round-trip, we invalidate any chance of travel in the near future. As with the early explorers on Earth, we need to harvest much of our energy and our life support from the celestial bodies. The in situ production of these energy

  16. Chemical Evolution of a Protoplanetary Disk

    Science.gov (United States)

    Semenov, Dmitry A.

    2011-12-01

    In this paper we review recent progress in our understanding of the chemical evolution of protoplanetary disks. Current observational constraints and theoretical modeling on the chemical composition of gas and dust in these systems are presented. Strong variations of temperature, density, high-energy radiation intensities in these disks, both radially and vertically, result in a peculiar disk chemical structure, where a variety of processes are active. In hot, dilute and heavily irradiated atmosphere only the most photostable simple radicals and atoms and atomic ions exist, formed by gas-phase processes. Beneath the atmosphere a partly UV-shielded, warm molecular layer is located, where high-energy radiation drives rich ion-molecule and radical-radical chemistry, both in the gas phase and on dust surfaces. In a cold, dense, dark disk midplane many molecules are frozen out, forming thick icy mantles where surface chemistry is active and where complex polyatomic (organic) species are synthesized. Dynamical processes affect disk chemical composition by enriching it in abundances of complex species produced via slow surface processes, which will become detectable with ALMA.

  17. Chemical Industry R&D Roadmap for Nanomaterials By Design. From Fundamentals to Function

    Energy Technology Data Exchange (ETDEWEB)

    none,

    2003-12-01

    Vision2020 agreed to join NNI and the U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy (DOE/EERE) in sponsoring the "Nanomaterials and the Chemical Industry Roadmap Workshop" on September 30-October 2, 2002. This roadmap, Chemical Industry R&D Roadmap for Nanomaterials By Design: From Fundamentals to Function, is based on the scientific priorities expressed by workshop participants from the chemical industry, universities, and government laboratories.

  18. Track models and radiation chemical yields

    International Nuclear Information System (INIS)

    Chatterjee, A.; Magee, J.L.

    1987-01-01

    The authors are concerned only with systems in which single track effects dominate and radiation chemical yields are sums of yields for individual tracks. The authors know that the energy deposits of heavy particle tracks are composed of spurs along the particle trajectory (about one-half of the energy) and a more diffuse pattern composed of the tracks of knock-on electrons, called the penumbra (about one-half of the energy). The simplest way to introduce the concept of a unified track model for heavy particles is to consider the special case of the track of a heavy particle with an LET below 0.2-0.3eV/A, which in practice limits us to protons, deuterons, or particles with energy above 100 MeV per nucleon. At these LET values, to a good approximation, spurs formed by the main particle track can be considered to remain isolated throughout the radiation chemical reactions

  19. Toward prethreshold gate-based quantum simulation of chemical dynamics: using potential energy surfaces to simulate few-channel molecular collisions

    Science.gov (United States)

    Sornborger, Andrew T.; Stancil, Phillip; Geller, Michael R.

    2018-05-01

    One of the most promising applications of an error-corrected universal quantum computer is the efficient simulation of complex quantum systems such as large molecular systems. In this application, one is interested in both the electronic structure such as the ground state energy and dynamical properties such as the scattering cross section and chemical reaction rates. However, most theoretical work and experimental demonstrations have focused on the quantum computation of energies and energy surfaces. In this work, we attempt to make the prethreshold (not error-corrected) quantum simulation of dynamical properties practical as well. We show that the use of precomputed potential energy surfaces and couplings enables the gate-based simulation of few-channel but otherwise realistic molecular collisions. Our approach is based on the widely used Born-Oppenheimer approximation for the structure problem coupled with a semiclassical method for the dynamics. In the latter the electrons are treated quantum mechanically but the nuclei are classical, which restricts the collisions to high energy or temperature (typically above ≈ 10 eV). By using operator splitting techniques optimized for the resulting time-dependent Hamiltonian simulation problem, we give several physically realistic collision examples, with 3-8 channels and circuit depths < 1000.

  20. Unveiling the chemical and morphological features of Sb:SnO2 nanocrystals by the combined use of HRTEM and Ab Initio surface energy calculations

    International Nuclear Information System (INIS)

    Stroppa, Daniel G.; Montoro, Luciano A.; Ramirez, Antonio J.; Beltran, Armando; Andres, Juan; Conti, Tiago G.; Silva, Rafael O. da; Longo, Elson; Leite, Edson R.

    2009-01-01

    Modeling of nanocrystals supported by advanced morphological and chemical characterization is a unique tool for the development of reliable nanostructured devices, which depends on the ability to synthesize and characterize material on the atomic scale. Among the most significant challenges in nanostructural characterization is the evaluation of crystal growth mechanisms and their dependence on the shape of nanoparticles and the distribution of doping elements. This work presents a new strategy to characterize nanocrystals, applied here to antimony-doped tin oxide (Sb-SnO 2 ) (ATO) by the combined use of experimental and simulated high-resolution transmission electron microscopy (HRTEM) images and surface energy ab initio calculations. The results show that the Wulff construction can not only describe the shape of nanocrystals as a function of surface energy distribution but also retrieve quantitative information on dopant distribution by the dimensional analysis of nanoparticle shapes. In addition, a novel three-dimensional evaluation of an oriented attachment growth mechanism is provided in the proposed methodology. This procedure is a useful approach for faceted nanocrystal shape modeling and indirect quantitative evaluation of dopant spatial distribution, which are difficult to evaluate by other techniques. (author)

  1. Review on advanced of solar assisted chemical heat pump dryer for agriculture produce

    International Nuclear Information System (INIS)

    Fadhel, M.I.; Sopian, K.; Daud, W.R.W.; Alghoul, M.A.

    2011-01-01

    Over the past three decades there has been nearly exponential growth in drying R and D on a global scale. Improving of the drying operation to save energy, improve product quality as well as reduce environmental effect remained as the main objectives of any development of drying system. A solar assisted chemical heat pump dryer is a new solar drying system, which have contributed to better cost-effectiveness and better quality dried products as well as saving energy. A solar collector is adapted to provide thermal energy in a reactor so a chemical reaction can take place. This reduces the dependency of the drying technology on fossil energy for heating. In this paper a review on advanced of solar assisted chemical heat pump dryer is presented (the system model and the results from experimental studies on the system performance are discussed). The review of heat pump dryers and solar assisted heat pump dryer is presented. Description of chemical heat pump types and the overview of chemical heat pump dryer are discussed. The combination of chemical heat pump and solar technology gives extra efficiency in utilizing energy. (author)

  2. Proceedings of 20. Symposium of Malaysian Chemical Engineers (SOMChE 2006)

    International Nuclear Information System (INIS)

    2006-12-01

    The objective of the symposium is to provide a platform for participants and relevant chemical engineering community to meet and encourage expertise and knowledge sharing and to allow recent chemical engineering research and innovation works to be properly documented, displayed and made known to interested parties. The subjects discussed are advanced material modeling and simulation bioprocess, catalysis, chemical engineering education (outcome-based education), computational fluid dynamics, drying technology, energy, environment, fine chemicals, food engineering, oil and gas, oleochemical, particle technology, petrochemical, pharmaceutical engineering, polymer technology, process control, process system, engineering, reaction engineering, renewable energy, separation

  3. Chemical equilibrium of ablation materials including condensed species

    Science.gov (United States)

    Stroud, C. W.; Brinkley, K. L.

    1975-01-01

    Equilibrium is determined by finding chemical composition with minimum free energy. Method of steepest descent is applied to quadratic representation of free-energy surface. Solution is initiated by selecting arbitrary set of mole fractions, from which point on free-energy surface is computed.

  4. Chemical reaction due to stronger Ramachandran interaction

    Indian Academy of Sciences (India)

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

  5. A review on energy harvesting approaches for renewable energies from ambient vibrations and acoustic waves using piezoelectricity

    Science.gov (United States)

    Ahmed, Riaz; Mir, Fariha; Banerjee, Sourav

    2017-08-01

    The principal objective of this article is to categorically review and compare the state of the art vibration based energy harvesting approaches. To evaluate the contemporary methodologies with respect to their physics, average power output and operational frequencies, systematically divided and easy readable tables are presented followed by the description of the energy harvesting methods. Energy harvesting is the process of obtaining electrical energy from the surrounding vibratory mechanical systems through an energy conversion method using smart structures, like, piezoelectric, electrostatic materials. Recent advancements in low power electronic gadgets, micro electro mechanical systems, and wireless sensors have significantly increased local power demand. In order to circumvent the energy demand; to allow limitless power supply, and to avoid chemical waste from conventional batteries, low power local energy harvesters are proposed for harvesting energy from different ambient energy sources. Piezoelectric materials have received tremendous interest in energy harvesting technology due to its unique ability to capitalize the ambient vibrations to generate electric potential. Their crystalline configuration allows the material to convert mechanical strain energy into electrical potential, and vice versa. This article discusses the various approaches in vibration based energy scavenging where piezoelectric materials are employed as the energy conversion medium.

  6. Reduced chemical warfare agent sorption in polyurethane-painted surfaces via plasma-enhanced chemical vapor deposition of perfluoroalkanes.

    Science.gov (United States)

    Gordon, Wesley O; Peterson, Gregory W; Durke, Erin M

    2015-04-01

    Perfluoralkalation via plasma chemical vapor deposition has been used to improve hydrophobicity of surfaces. We have investigated this technique to improve the resistance of commercial polyurethane coatings to chemicals, such as chemical warfare agents. The reported results indicate the surface treatment minimizes the spread of agent droplets and the sorption of agent into the coating. The improvement in resistance is likely due to reduction of the coating's surface free energy via fluorine incorporation, but may also have contributing effects from surface morphology changes. The data indicates that plasma-based surface modifications may have utility in improving chemical resistance of commercial coatings.

  7. Theoretical study of substitution effects on molecular reorganization energy in organic semiconductors.

    Science.gov (United States)

    Geng, Hua; Niu, Yingli; Peng, Qian; Shuai, Zhigang; Coropceanu, Veaceslav; Brédas, Jean-Luc

    2011-09-14

    Chemical substitutions are powerful molecular design tools to enhance the performance of organic semiconductors, for instance, to improve solubility, intermolecular stacking, or film quality. However, at the microscopic level, substitutions in general tend to increase the molecular reorganization energy and thus decrease the intrinsic charge-carrier mobility. Through density functional theory calculations, we elucidate strategies that could be followed to reduce the reorganization energy upon chemical substitution. Specific examples are given here for hole-transport materials including indolo-carbazoles and several triarylamine derivatives. Through decomposition of the total reorganization energy into the internal coordinate space, we are able to identify the molecular segment that provides the most important contributions to the reorganization energy. It is found that when substitution reduces (enhances) the amplitude of the relevant frontier molecular orbital in that segment, the total reorganization energy decreases (increases). In particular, chlorination at appropriate positions can significantly reduce the reorganization energy. Several other substituents are shown to play a similar role, to a greater or lesser extent. © 2011 American Institute of Physics

  8. Characterization of surface topography and chemical composition of mini-implants

    OpenAIRE

    Knop, Luegya Amorim Henriques; Soares, Ana Prates; Shintcovsk, Ricardo Lima; Martins, Lidia Parsekian; Gandini Jr., Luiz Gonzaga

    2015-01-01

    Abstract Aim : To assess the surface topography and chemical composition of three brands of as-received mini-implants (SIN(r), Morelli(r), and Conexao(r)). Methods: Twelve mini-implants of each brand were analyzed by scanning electron microscopy and energy dispersive X-ray (EDX). Results: There was no significant differences among SIN(r), Morelli(r), and Conexao(r) mini-implants comparing their surface topography by visualization of SEM micrographs and analysis of scores. The EDX analysis ...

  9. Mussel-inspired Fluoro-Polydopamine Functionalization of Titanium Dioxide Nanowires for Polymer Nanocomposites with Significantly Enhanced Energy Storage Capability

    Science.gov (United States)

    Wang, Guanyao; Huang, Xingyi; Jiang, Pingkai

    2017-01-01

    High-dielectric-constant polymer nanocomposites are demonstrated to show great promise as energy storage materials. However, the large electrical mismatch and incompatibility between nanofillers and polymer matrix usually give rise to significantly reduced breakdown strength and weak energy storage capability. Therefore, rational selection and elaborate functionalization of nanofillers to optimize the performance of polymer nanocomposites are vital. Herein, inspired by adhesive proteins in mussels, a facile modification by fluoro-polydopamine is employed to reinforce the compatibility of TiO2 nanowires in the fluoropolymer matrix. The loading of 2.5 vol % f-DOPA@TiO2 NWs leads to an ultrahigh discharged energy density of 11.48 J cm−3 at 530 MV m−1, more than three times of commercial biaxial-oriented polypropylene (BOPP, 3.56 J cm−3 at 600 MV m−1). A gratifying high energy density of 9.12 J cm−3 has also been obtained with nanofiller loading as high as 15 vol % at 360 MV m−1, which is nearly double to that of pure P(VDF-HFP) (4.76 J cm−3 at 360 MV m−1). This splendid energy storage capability seems to rival or exceed most of previously reported nano-TiO2 based nanocomposites. The methods presented here provide deep insights into the design of polymer nanocomposites for energy storage applications. PMID:28225047

  10. Mussel-inspired Fluoro-Polydopamine Functionalization of Titanium Dioxide Nanowires for Polymer Nanocomposites with Significantly Enhanced Energy Storage Capability

    Science.gov (United States)

    Wang, Guanyao; Huang, Xingyi; Jiang, Pingkai

    2017-02-01

    High-dielectric-constant polymer nanocomposites are demonstrated to show great promise as energy storage materials. However, the large electrical mismatch and incompatibility between nanofillers and polymer matrix usually give rise to significantly reduced breakdown strength and weak energy storage capability. Therefore, rational selection and elaborate functionalization of nanofillers to optimize the performance of polymer nanocomposites are vital. Herein, inspired by adhesive proteins in mussels, a facile modification by fluoro-polydopamine is employed to reinforce the compatibility of TiO2 nanowires in the fluoropolymer matrix. The loading of 2.5 vol % f-DOPA@TiO2 NWs leads to an ultrahigh discharged energy density of 11.48 J cm-3 at 530 MV m-1, more than three times of commercial biaxial-oriented polypropylene (BOPP, 3.56 J cm-3 at 600 MV m-1). A gratifying high energy density of 9.12 J cm-3 has also been obtained with nanofiller loading as high as 15 vol % at 360 MV m-1, which is nearly double to that of pure P(VDF-HFP) (4.76 J cm-3 at 360 MV m-1). This splendid energy storage capability seems to rival or exceed most of previously reported nano-TiO2 based nanocomposites. The methods presented here provide deep insights into the design of polymer nanocomposites for energy storage applications.

  11. The Department of Energy/American Chemical Society Summer School in Nuclear and Radiochemistry at San Jose State University

    International Nuclear Information System (INIS)

    Kinard, W.F.; Silber, H.B.

    2005-01-01

    A Summer School in Nuclear Chemistry sponsored by the U. S. Department of Energy and the American Chemical Society has been held at San Jose State University for the past 20 years. The intent of the program is to introduce outstanding college students to the field of nuclear and radiochemistry with the goal that some of these students will consider careers on nuclear science. The program features radiochemistry experiments along with radiation safety training, guest lectures by well known nuclear scientists and field trips to nuclear chemistry facilities in the San Francisco area. (author)

  12. Process and device of elementary and chemical analysis of a sample through a spectral analysis of the secondary electron energies

    International Nuclear Information System (INIS)

    Le Gressus, Claude; Massignon, Daniel; Sopizet, Rene.

    1975-01-01

    The present invention relates to a method of chemical and elementary analysis of samples through a spectral analysis of secondary electrons (Auger electrons) emitted from said sample under a primary monokinetic electron beam concentrated on its surface. Said method is characterized in that the intensity of the primary monokinetic electron beam emitted from an electron gun is modulated at a frequency ω; and in that the secondary electrons of energy E emitted from the sample are then collected. A reference voltage corresponding to the modulation in intensity of the primary electron beam is applied at the input of a phase sensitive detector together with a voltage proportional to the intensity of the flux of said collected secondary electrons to obtain at the output of said detector a voltage proportional to the number of the secondary electrons of energy E. The secondary emission energy spectrum of the sample is then plotted [fr

  13. Chemical and mechanical instabilities in high energy heavy-ion collisions

    International Nuclear Information System (INIS)

    Gervino, G; Lavagno, A; Pigato, D

    2015-01-01

    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. (paper)

  14. Flood pulse influence and anthropic impact on the chemical composition and energy content of Oryza glumaepatula in an Amazonian lake

    Directory of Open Access Journals (Sweden)

    A. Enrich-Prast

    Full Text Available The aim of this research was to study the flood pulse influence and the anthropic impact caused by bauxite tailings on the chemical composition of O. glumaepatula in Batata lake (PA, Brazil. Sampling was carried out in stands of O. glumaepatula in the low-water, filling, high-water, and drawdown periods in impacted and natural areas of Batata lake. During the low-water and drawdown periods the stands of O. glumaepatula were exposed, and in the filling and high-water periods the water depth was respectively 1.4 and 3.8 m. The collected material was dried at 70ºC, ground, and concentrations of total phosphorus, total nitrogen, organic carbon, and energy content were determined. The results indicate that the biomass increase, caused by the rise in water level, has a dilution effect on nitrogen and phosphorus concentrations in O. glumaepatula. The energy contents did not present significant differences in any of the studied periods. The results suggest that from the low water to filling period, nitrogen becomes more limiting to O. glumaepatula in the impacted area, whereas phosphorus becomes more limiting in the natural area. The population of O. glumaepatula contributes to the recovery of the impacted area of Batata lake as the detritus from this species accumulates over the sediment. This accumulation impedes future re-suspension of the bauxite tailings and increases the organic matter and nutrient concentrations in the impacted sediment.

  15. Solar energy conversion

    CERN Document Server

    Likhtenshtein, Gertz I

    2012-01-01

    Finally filling a gap in the literature for a text that also adopts the chemist?s view of this hot topic, Prof 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 understa

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

    International Nuclear Information System (INIS)

    Wallasch, Anna-Kathrin; Rehfeldt, Knud

    2012-04-01

    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. [de

  17. The application of chemical leasing business models in Mexico.

    Science.gov (United States)

    Schwager, Petra; Moser, Frank

    2006-03-01

    To better address the requirements of the changing multilateral order, the United Nations Industrial Development Organization (UNIDO) Cleaner Production Programme, in 2004, developed the new Sustainable Industrial Resource Management (SIRM) approach. This approach is in accordance with the principles decided at the United Nations Conference on Environment and Development (UNCED) in Rio de Janeiro, Brazil in 1992. Unlike the traditional approaches to environmental management, the SIRM concept captures the idea of achieving sustainable industrial development through the implementation of circular material and energy flows in the entire production chain and reduction of the amount of material and energy used with greater efficiency solutions. The SIRM approach seeks to develop new models to encourage a shift from selling products to supplying services, modifying, in this manner, the supplier/user relationship and resulting in a win-win situation for the economy and the environment. Chemical Leasing represents such a new service-oriented business model and is currently being promoted by UNIDO's Cleaner Production Programme. MAIN FEATURES. One of the potential approaches to address the problems related to ineffective use and over-consumption of chemicals is the development and implementation of Chemical Leasing business models. These provide concrete solutions to the effective management of chemicals and on the ways negative releases to the environment can be reduced. The Chemical Leasing approach is a strategy that addresses the obligations of the changing international chemicals policy by focusing on a more service-oriented strategy. Mexico is one of the countries that were selected for the implementation of UNIDO's demonstration project to promote Chemical Leasing models in the country. The target sector of this project is the chemical industry, which is expected to shift their traditional business concept towards a more service and value-added approach. This is

  18. Chemical Engineering in the "BIO" world

    DEFF Research Database (Denmark)

    Chiarappa, Gianluca; Grassi, Mario; Abrami, Michela

    2017-01-01

    Modern Chemical Engineering was born around the end of the 19th century in Great Britain, Germany, and the USA, the most industrialized countries at that time. Milton C. Whitaker, in 1914, affirmed that the difference between Chemistry and Chemical Engineering lies in the capability of chemical...... engineers to transfer laboratory findings to the industrial level. Since then, Chemical Engineering underwent huge transformations determining the detachment from the original Chemistry nest. The beginning of the sixties of the 20th century saw the development of a new branch of Chemical Engineering...... baptized Biomedical Engineering by Peppas and Langer and that now we can name Biological Engineering. Interestingly, although Biological Engineering focused on completely different topics from Chemical Engineering ones, it resorted to the same theoretical tools such as, for instance, mass, energy...

  19. Energy use pattern in rice production: A case study from Mazandaran province, Iran

    International Nuclear Information System (INIS)

    AghaAlikhani, M.; Kazemi-Poshtmasari, H.; Habibzadeh, F.

    2013-01-01

    Highlights: ► We compare the energy use efficiency in rice production for traditional and mechanized system. ► Since farmers growing native, high yield and hybrid rice cultivars we have focused on mean data. ► Chemical fertilizer has the highest share in total energy inputs were followed by diesel fuel. ► Rice production in traditional system has lower output but higher EUE than mechanized system. - Abstract: Rice (Oryza sativa L.) is grown under both traditional system (TS) and mechanized system (MS) in Iran. In this study the energy consumption for rice is analyzed in Mazandaran, Northern province of Iran. The indicators are: net energy, energy use efficiency, specific energy, energy productivity, direct energy, indirect energy, renewable energy, non-renewable and total energy input. The cultivars of rice commonly grown in Iran are listed in three groups: native, high yield cultivars and hybrid cultivar. Primary data were obtained through field survey and personal interviews using questionnaires from 48 agricultural services center in Mazandaran province. Secondary data and energy equivalents were obtained from available literature using collected data of the production period of 2007–2008. Analysis of date showed that averagely diesel fuel had the highest share within the total energy inputs, followed by chemical fertilizer in rice production in both TS and MS. Energy use efficiency was calculated as 1.72 in TS and 1.63 in MS. Total energy consumption in rice production were 71,092.26 MJ/ha (TS) and 79,460.33 MJ/ha (MS). In general, there were not significant changes regarding the human labor and chemicals in tow systems

  20. Surface chemical reactions induced by molecules electronically-excited in the gas

    DEFF Research Database (Denmark)

    Petrunin, Victor V.

    2011-01-01

    and alignment are taking place, guiding all the molecules towards the intersections with the ground state PES, where transitions to the ground state PES will occur with minimum energy dissipation. The accumulated kinetic energy may be used to overcome the chemical reaction barrier. While recombination chemical...... be readily produced. Products of chemical adsorption and/or chemical reactions induced within adsorbates are aggregated on the surface and observed by light scattering. We will demonstrate how pressure and spectral dependencies of the chemical outcomes, polarization of the light and interference of two laser...... beams inducing the reaction can be used to distinguish the new process we try to investigate from chemical reactions induced by photoexcitation within adsorbed molecules and/or gas phase photolysis....

  1. QUIL: a chemical equilibrium code

    International Nuclear Information System (INIS)

    Lunsford, J.L.

    1977-02-01

    A chemical equilibrium code QUIL is described, along with two support codes FENG and SURF. QUIL is designed to allow calculations on a wide range of chemical environments, which may include surface phases. QUIL was written specifically to calculate distributions associated with complex equilibria involving fission products in the primary coolant loop of the high-temperature gas-cooled reactor. QUIL depends upon an energy-data library called ELIB. This library is maintained by FENG and SURF. FENG enters into the library all reactions having standard free energies of reaction that are independent of concentration. SURF enters all surface reactions into ELIB. All three codes are interactive codes written to be used from a remote terminal, with paging control provided. Plotted output is also available

  2. Materials and Chemical Sciences Division annual report, 1987

    International Nuclear Information System (INIS)

    1988-07-01

    Research programs from Lawrence Berkeley Laboratory in materials science, chemical science, nuclear science, fossil energy, energy storage, health and environmental sciences, program development funds, and work for others is briefly described

  3. Chemical dynamics in the gas phase: Time-dependent quantum mechanics of chemical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Gray, S.K. [Argonne National Laboratory, IL (United States)

    1993-12-01

    A major goal of this research is to obtain an understanding of the molecular reaction dynamics of three and four atom chemical reactions using numerically accurate quantum dynamics. This work involves: (i) the development and/or improvement of accurate quantum mechanical methods for the calculation and analysis of the properties of chemical reactions (e.g., rate constants and product distributions), and (ii) the determination of accurate dynamical results for selected chemical systems, which allow one to compare directly with experiment, determine the reliability of the underlying potential energy surfaces, and test the validity of approximate theories. This research emphasizes the use of recently developed time-dependent quantum mechanical methods, i.e. wave packet methods.

  4. The prospects for hydrogen as an energy carrier: an overview of hydrogen energy and hydrogen energy systems

    Energy Technology Data Exchange (ETDEWEB)

    Rosen, Marc A.; Koohi-Fayegh, Seama [Ontario Univ., Oshawa, ON (Canada). Inst. of Technology

    2016-02-15

    Hydrogen is expected to play a key role as an energy carrier in future energy systems of the world. As fossil-fuel supplies become scarcer and environmental concerns increase, hydrogen is likely to become an increasingly important chemical energy carrier and eventually may become the principal chemical energy carrier. When most of the world's energy sources become non-fossil based, hydrogen and electricity are expected to be the two dominant energy carriers for the provision of end-use services. In such a ''hydrogen economy,'' the two complementary energy carriers, hydrogen and electricity, are used to satisfy most of the requirements of energy consumers. A transition era will bridge the gap between today's fossil-fuel economy and a hydrogen economy, in which non-fossil-derived hydrogen will be used to extend the lifetime of the world's fossil fuels - by upgrading heavy oils, for instance - and the infrastructure needed to support a hydrogen economy is gradually developed. In this paper, the role of hydrogen as an energy carrier and hydrogen energy systems' technologies and their economics are described. Also, the social and political implications of hydrogen energy are examined, and the questions of when and where hydrogen is likely to become important are addressed. Examples are provided to illustrate key points. (orig.)

  5. Summaries of FY 1980 research in the chemical sciences

    International Nuclear Information System (INIS)

    1980-09-01

    Brief summaries are given of research programs being pursued by DOE laboratories and offsite facilities in the fields of photochemical and radiation sciences, chemical physics, atomic physics, chemical energy, separations, analysis, and chemical engineering sciences. No actual data is given. Indexes of topics, offsite institutions, and investigators are included

  6. Can LENR Energy Gains Exceed 1000?

    Science.gov (United States)

    Nagel, David J.

    2011-03-01

    Energy gain is defined as the energy realized from reactions divided by the energy required to produce those reactions. Low Energy Nuclear Reactions (LENR) have already been measured to significantly exceed the energy gain of 10 projected from ITER,possibly 15 years from now. Electrochemical experiments using the Pd-D system have shown energy gains exceeding 10. Gas phase experiments with the Ni-H system were reported to yield energy gains of over 100. Neither of these reports has been adequately verified or reproduced. However, the question in the title still deserves consideration. If, as thought by many, it is possible to trigger nuclear reactions that yield MeV energies with chemical energies of the order of eV, then the most optimistic expectation is that LENR gains could approach one million. Hence, the very tentative answer to the question above is yes. However, if LENR could be initiated with some energy cost, and then continue to ``burn,'' very high energy gains might be realized. Consider a match and a pile of dry logs. The phenomenon termed ``heat after death'' will be examined to see if it might be the initial evidence for nuclear ``burning.''

  7. Energy conversion & storage program. 1995 annual report

    Energy Technology Data Exchange (ETDEWEB)

    Cairns, E.J.

    1996-06-01

    The 1995 annual report discusses laboratory activities in the Energy Conversion and Storage (EC&S) Program. The report is divided into three categories: electrochemistry, chemical applications, and material applications. Research performed in each category during 1995 is described. Specific research topics relate to the development of high-performance rechargeable batteries and fuel cells, the development of high-efficiency thermochemical processes for energy conversion, the characterization of new chemical processes and complex chemical species, and the study and application of novel materials related to energy conversion and transmission. Research projects focus on transport-process principles, chemical kinetics, thermodynamics, separation processes, organic and physical chemistry, novel materials and deposition technologies, and advanced methods of analysis.

  8. Extending the random-phase approximation for electronic correlation energies: the renormalized adiabatic local density approximation

    DEFF Research Database (Denmark)

    Olsen, Thomas; Thygesen, Kristian S.

    2012-01-01

    The adiabatic connection fluctuation-dissipation theorem with the random phase approximation (RPA) has recently been applied with success to obtain correlation energies of a variety of chemical and solid state systems. The main merit of this approach is the improved description of dispersive forces...... while chemical bond strengths and absolute correlation energies are systematically underestimated. In this work we extend the RPA by including a parameter-free renormalized version of the adiabatic local-density (ALDA) exchange-correlation kernel. The renormalization consists of a (local) truncation...... of the ALDA kernel for wave vectors q > 2kF, which is found to yield excellent results for the homogeneous electron gas. In addition, the kernel significantly improves both the absolute correlation energies and atomization energies of small molecules over RPA and ALDA. The renormalization can...

  9. Non-equilibrium effects in high temperature chemical reactions

    Science.gov (United States)

    Johnson, Richard E.

    1987-01-01

    Reaction rate data were collected for chemical reactions occurring at high temperatures during reentry of space vehicles. The principle of detailed balancing is used in modeling kinetics of chemical reactions at high temperatures. Although this principle does not hold for certain transient or incubation times in the initial phase of the reaction, it does seem to be valid for the rates of internal energy transitions that occur within molecules and atoms. That is, for every rate of transition within the internal energy states of atoms or molecules, there is an inverse rate that is related through an equilibrium expression involving the energy difference of the transition.

  10. Large Nc QCD at nonzero chemical potential

    International Nuclear Information System (INIS)

    Cohen, Thomas D.

    2004-01-01

    The general issue of large N c QCD at nonzero chemical potential is considered with a focus on understanding the difference between large N c QCD with an isospin chemical potential and large N c QCD with a baryon chemical potential. A simple diagrammatic analysis analogous to 't Hooft's analysis at μ=0 implies that the free energy with a given baryon chemical potential is equal to the free energy with an isospin chemical potential of the same value plus 1/N c corrections. Phenomenologically, these two systems behave quite differently. A scenario to explain this difference in light of the diagrammatic analysis is explored. This scenario is based on a phase transition associated with pion condensation when the isospin chemical potential exceeds m π /2; associated with this transition there is breakdown of the 1/N c expansion--in the pion condensed phase there is a distinct 1/N c expansion including a larger set of diagrams. While this scenario is natural, there are a number of theoretical issues which at least superficially challenge it. Most of these can be accommodated. However, the behavior of quenched QCD which raises a number of apparently analogous issues cannot be easily understood completely in terms of an analogous scenario. Thus, the overall issue remains open

  11. Bio-based chemicals - green, but also sustainable?

    DEFF Research Database (Denmark)

    Ögmundarson, Ólafur; Herrgard, Markus; Förster, Jochen

    For almost two decades, the chemical industry has put great effort into developing bio-chemicals,among others to fight global warming caused by greenhouse gas emissions, one of the biggest threats that are faced by our society today. To facilitate a growing and versatile bio-based chemical...... production, the US Department of Energy proposed in 2004 a list of 12 building block chemicals which can either be converged through biological or chemical conversions. Moving toward more bio-based chemicals, the chemical industry does not only claim to reduce climate change impacts, but also...... that they are increasing overall sustainability in chemical production. Whether such claims are justifiable is unclear. When sustainability of bio-based polymer production is assessed, various environmental trade-offs occur that need to be considered. It is not enough to claim that a bio-chemical is sustainable...

  12. Materials and Chemical Sciences Division annual report, 1987

    Energy Technology Data Exchange (ETDEWEB)

    1988-07-01

    Research programs from Lawrence Berkeley Laboratory in materials science, chemical science, nuclear science, fossil energy, energy storage, health and environmental sciences, program development funds, and work for others is briefly described. (CBS)

  13. Coupling Thermal and Chemical Signatures of Crustal Magma Bodies: Energy-Constrained Eruption, Recharge, Assimilation, and Fractional Crystallization (E'RAχFC)

    Science.gov (United States)

    Bohrson, W. A.; Spera, F. J.

    2004-12-01

    Energy-Constrained Eruption, Recharge, Assimilation and Fractional Crystallization (E'RAχFC) tracks the evolution of an open-system magmatic system by coupling conservation equations governing energy, mass and species (isotopes and trace elements). By linking the compositional characteristics of a composite magmatic system (host magma, recharge magma, wallrock, eruptive reservoir) to its mass and energy fluxes, predictions can be made about the chemical evolution of systems characterized by distinct compositional and thermal characteristics. An interesting application of E'RAχFC involves documenting the influence distinct thermal regimes have on the chemical evolution of magmatic systems. Heat transfer between a magma-country rock system at epizonal depths can be viewed as a conjugate heat transfer problem in which the average country rock-magma boundary temperature, Tb, is governed by the relative vigor of hydrothermal convection in the country rock vs. magma convection. For cases where hydrothermal circulation is vigorous and magmatic heat is efficiently transported away from the boundary, contact aureole temperatures (~Tb) are low. In cases where magmatic heat can not be efficiently transported away from the boundary and hydrothermal cells are absent or poorly developed, Tb is relatively high. Simultaneous solution of the differential equations governing momentum and energy conservation and continuity for the coupled hydrothermal-magmatic conjugate heat transfer system enables calculation of the characteristic timescale for EC-RAFC evolution and development of hydrothermal deposits as a function of material and medium properties, sizes of systems and relative efficiency of hydrothermal vs. magmatic heat transfer. Characteristic timescales lie in the range 102-106 yr depending on system size, magma properties and permeability among other parameters. In E'RAχFC, Tb is approximated by the user-defined equilibration temperature, Teq, which is the temperature at

  14. 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.

  15. High-energy chemical processes: Laser irradiation of aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Trifunac, A.D.; Liu, A.D.; Loffredo, D.M.

    1994-01-01

    Recent studies of the high-energy photochemical degradation of polycyclic aromatic hydrocarbons (PAHs) in solution have furthered our fundamental understanding of the way in which radiation interacts with matter. A new comprehensive mechanism that unifies many of the seemingly contradictory observations in radiation and photochemistry has been proposed on basis of evidence gathered using specialized techniques such as transient optical spectroscopy and transient dc conductivity. The PAH molecules were activated by two-photon ionization, and behavior of the transient ions were monitored as a function of photon energy. It was found that a greater percentage of ions retain sufficient energy to decompose when higher energy light was used. When these cations decompose they leave a trail of products that establish a ''high-energy'' decomposition pathway that involves proton transfer from the ion, a mechanism hitherto not considered in photoionization processes

  16. Method for the transmission of energy

    International Nuclear Information System (INIS)

    Weissenbach, B.

    1976-01-01

    According ot the invention, chemical energy and/or chemically bound latent energy from a heat source (preferably from a nuclear reactor), is conveyed to a consumer by means of ordinary, saturated hydrocarbons, or their oxygen-containing derivates (preferably methanol), or synthesis gas in open- or closed-cycle systems. (GG) [de

  17. Federal agencies active in chemical industry-related research and development

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-09-29

    The Energy Policy Act of 1992 calls for a program to further the commercialization of renewable energy and energy efficient technologies for the industrial sector.. The primary objective of the Office of Industrial Technologies Chemical Industry Team is to work in partnership with the US chemical industry to maximize economic, energy, and environmental benefits through research and development of innovative technologies. This document was developed to inventory organizations within the federal government on current chemical industry-related research and development. While an amount of funding or number of projects specifically relating to chemical industry research and development was not defined in all organizations, identified were about 60 distinct organizations representing 7 cabinet-level departments and 4 independent agencies, with research efforts exceeding $3.5 billion in fiscal year 1995. Effort were found to range from less than $500 thousand per year at the Departments of Agriculture and the Interior to over $100 million per year at the Departments of Commerce, Defense, Energy, and Health and Human Services and the National Aeronautics and Space Administration. The total number of projects in these programs exceeded 10,000. This document is complete to the extent that agencies volunteered information. Additions, corrections, and changes are encouraged and will be incorporated in future revisions.

  18. Summaries of FY 1980 research in the chemical sciences

    Energy Technology Data Exchange (ETDEWEB)

    None

    1980-09-01

    Brief summaries are given of research programs being pursued by DOE laboratories and offsite facilities in the fields of photochemical and radiation sciences, chemical physics, atomic physics, chemical energy, separations, analysis, and chemical engineering sciences. No actual data is given. Indexes of topics, offsite institutions, and investigators are included. (DLC)

  19. 76 FR 1067 - Testing of Certain High Production Volume Chemicals; Second Group of Chemicals

    Science.gov (United States)

    2011-01-07

    ... Mfg & NOES (number based criteria based criteria significant chemicals (lbs) industrial of workers... 2070-AD16 Testing of Certain High Production Volume Chemicals; Second Group of Chemicals AGENCY... section 4(a)(1)(B) of the Toxic Substances Control Act (TSCA) to require manufacturers, importers, and...

  20. Chemical information from Auger electron spectroscopy

    International Nuclear Information System (INIS)

    Madden, H.H.

    1981-01-01

    The nature of chemical information in Auger electron spectroscopy (AES) data is reviewed with special emphasis on data from solid surface systems. Two strategies are most frequently used to extract this information: (i) measuring and analyzing energy (chemical) shifts in Auger peaks; and (ii) making use of the shapes of Auger signals to determine the chemical environment at the site of the initial core hole. Chemical shift data are primarily illustrated by highlighting the interaction of oxygen with solids; and analyses of these data based on core-level binding-energy shifts, relaxation, and hole--hole interactions are outlined and discussed. Auger transitions that involve valence electrons are usually those for which lineshapes are taken as indications of the local chemistry at the initial core-hole site. Attempts at extracting valence band density-of-states information from lineshapes are proving successful and this approach to the surface chemical information in AES is illustrated with the aid of examples dealing with the interaction of silicon with hydrogen and with oxygen. The use of the AES lineshapes simply as ''fingerprints'' of the core-hole-site chemistry is examined and illustrated by examples which include studies of silicon nitride properties, of solid surface properties related to catalytic reactions, and of passive films on iron. Auger decay activated desorption processes are briefly examined and found to promise new and unique chemical information when combined with conventional AES. Some gas phase AES studies are also briefly reviewed

  1. The SERI solar energy storage program

    Science.gov (United States)

    Copeland, R. J.; Wright, J. D.; Wyman, C. E.

    1980-01-01

    In support of the DOE thermal and chemical energy storage program, the solar energy storage program (SERI) provides research on advanced technologies, systems analyses, and assessments of thermal energy storage for solar applications in support of the Thermal and Chemical Energy Storage Program of the DOE Division of Energy Storage Systems. Currently, research is in progress on direct contact latent heat storage and thermochemical energy storage and transport. Systems analyses are being performed of thermal energy storage for solar thermal applications, and surveys and assessments are being prepared of thermal energy storage in solar applications. A ranking methodology for comparing thermal storage systems (performance and cost) is presented. Research in latent heat storage and thermochemical storage and transport is reported.

  2. Applied chemical engineering thermodynamics

    CERN Document Server

    Tassios, Dimitrios P

    1993-01-01

    Applied Chemical Engineering Thermodynamics provides the undergraduate and graduate student of chemical engineering with the basic knowledge, the methodology and the references he needs to apply it in industrial practice. Thus, in addition to the classical topics of the laws of thermodynamics,pure component and mixture thermodynamic properties as well as phase and chemical equilibria the reader will find: - history of thermodynamics - energy conservation - internmolecular forces and molecular thermodynamics - cubic equations of state - statistical mechanics. A great number of calculated problems with solutions and an appendix with numerous tables of numbers of practical importance are extremely helpful for applied calculations. The computer programs on the included disk help the student to become familiar with the typical methods used in industry for volumetric and vapor-liquid equilibria calculations.

  3. Energy efficiency as an example of cross-discipline collaboration in chemical engineering

    DEFF Research Database (Denmark)

    de Hemptinne, J.-C; Ferrasse, J.-H.; Górak, A.

    2017-01-01

    This paper summarizes the round-table discussion that was held during the European Congress of Chemical Engineering (ECCE) in Nice, France, in October 2015 on this topic. The panellists come from different fields of chemical engineering and have thus brought in different perspectives. The objective...... (industrials, mostly market-driven, or academic), or in terms of discipline. The role of professional societies as the European Federation for Chemical Engineers (EFCE) is stressed as a promotor of collaboration between disciplines.Finally, once willingness for collaboration is identified, the final question...

  4. Journal of Chemical Sciences | Indian Academy of Sciences

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences. KARISHMA DEVI BORAH. Articles written in Journal of Chemical Sciences. Volume 129 Issue 4 April 2017 pp 449-455 Regular Article. Magnesium Trimethoxyphenylporphyrin Chain Controls Energy Dissipation in the presence of Cholesterol · KARISHMA DEVI BORAH N ...

  5. Energy Storage and Retrieval

    Indian Academy of Sciences (India)

    devices which convert chemical energy into electrical energy. A K Shukla is ... Table 1. Desirable features in a battery. Battery performance. Definition parameter .... enhanced performance characteristics for communication, space, automotive,.

  6. Counteracting chemical chaperone effects on the single-molecule α-synuclein structural landscape.

    Science.gov (United States)

    Ferreon, Allan Chris M; Moosa, Mahdi Muhammad; Gambin, Yann; Deniz, Ashok A

    2012-10-30

    Protein structure and function depend on a close interplay between intrinsic folding energy landscapes and the chemistry of the protein environment. Osmolytes are small-molecule compounds that can act as chemical chaperones by altering the environment in a cellular context. Despite their importance, detailed studies on the role of these chemical chaperones in modulating structure and dimensions of intrinsically disordered proteins have been limited. Here, we used single-molecule Förster resonance energy transfer to test the counteraction hypothesis of counterbalancing effects between the protecting osmolyte trimethylamine-N-oxide (TMAO) and denaturing osmolyte urea for the case of α-synuclein, a Parkinson's disease-linked protein whose monomer exhibits significant disorder. The single-molecule experiments, which avoid complications from protein aggregation, do not exhibit clear solvent-induced cooperative protein transitions for these osmolytes, unlike results from previous studies on globular proteins. Our data demonstrate the ability of TMAO and urea to shift α-synuclein structures towards either more compact or expanded average dimensions. Strikingly, the experiments directly reveal that a 21 [urea][TMAO] ratio has a net neutral effect on the protein's dimensions, a result that holds regardless of the absolute osmolyte concentrations. Our findings shed light on a surprisingly simple aspect of the interplay between urea and TMAO on α-synuclein in the context of intrinsically disordered proteins, with potential implications for the biological roles of such chemical chaperones. The results also highlight the strengths of single-molecule experiments in directly probing the chemical physics of protein structure and disorder in more chemically complex environments.

  7. Counteracting chemical chaperone effects on the single-molecule α-synuclein structural landscape

    Science.gov (United States)

    Ferreon, Allan Chris M.; Moosa, Mahdi Muhammad; Deniz, Ashok A.

    2012-01-01

    Protein structure and function depend on a close interplay between intrinsic folding energy landscapes and the chemistry of the protein environment. Osmolytes are small-molecule compounds that can act as chemical chaperones by altering the environment in a cellular context. Despite their importance, detailed studies on the role of these chemical chaperones in modulating structure and dimensions of intrinsically disordered proteins have been limited. Here, we used single-molecule Förster resonance energy transfer to test the counteraction hypothesis of counterbalancing effects between the protecting osmolyte trimethylamine-N-oxide (TMAO) and denaturing osmolyte urea for the case of α-synuclein, a Parkinson’s disease-linked protein whose monomer exhibits significant disorder. The single-molecule experiments, which avoid complications from protein aggregation, do not exhibit clear solvent-induced cooperative protein transitions for these osmolytes, unlike results from previous studies on globular proteins. Our data demonstrate the ability of TMAO and urea to shift α-synuclein structures towards either more compact or expanded average dimensions. Strikingly, the experiments directly reveal that a 2∶1 [urea]∶[TMAO] ratio has a net neutral effect on the protein’s dimensions, a result that holds regardless of the absolute osmolyte concentrations. Our findings shed light on a surprisingly simple aspect of the interplay between urea and TMAO on α-synuclein in the context of intrinsically disordered proteins, with potential implications for the biological roles of such chemical chaperones. The results also highlight the strengths of single-molecule experiments in directly probing the chemical physics of protein structure and disorder in more chemically complex environments. PMID:22826265

  8. Energy of the Earth. Geothermal and biomass energy sources for humanity

    International Nuclear Information System (INIS)

    2010-01-01

    The Earth feeds us but supplies its energy to us as well and in two ways: the heat coming from the Earth's core spreads through rocks and geologic fractures and heats the groundwater, in particular in volcanic and hydrothermal areas. This energy can be captured and directly used for district and space heating or converted into electricity. The Earth, thanks to photosynthesis, is also a formidable chemical factory. With the single energy coming from the sun, plants oxide water and convert the carbon from the air into sugars to make biomass. Cultures, agricultural and animal breeding wastes are as many resources for a renewable and greenhouse gas-free energy which can be converted into non-toxic chemical products, automotive fuels, heat and electricity. Both geothermal and biomass resources are far to have supplied their full potential. Production capacities are enormous and capable to answer the needs of a still growing up humanity. This book explains how we are going to exploit this energy wealth. (J.S.)

  9. Program summaries for 1979: energy sciences programs

    Energy Technology Data Exchange (ETDEWEB)

    1979-12-01

    This report describes the objectives of the various research programs being conducted by the Chemical Sciences, Metallurgy and Materials Science, and Process Science divisions of the BNL Dept. of Energy and Environment. Some of the more significant accomplishments during 1979 are also reported along with plans for 1980. Some of the topics under study include porphyrins, combustion, coal utilization, superconductors, semiconductors, coal, conversion, fluidized-bed combustion, polymers, etc. (DLC)

  10. Basic Energy Sciences Program Update

    Energy Technology Data Exchange (ETDEWEB)

    None, None

    2016-01-04

    The U.S. Department of Energy’s (DOE) Office of Basic Energy Sciences (BES) supports fundamental research to understand, predict, and ultimately control matter and energy at the electronic, atomic, and molecular levels to provide the foundations for new energy technologies and to support DOE missions in energy, environment, and national security. The research disciplines covered by BES—condensed matter and materials physics, chemistry, geosciences, and aspects of physical biosciences— are those that discover new materials and design new chemical processes. These disciplines touch virtually every aspect of energy resources, production, conversion, transmission, storage, efficiency, and waste mitigation. BES also plans, constructs, and operates world-class scientific user facilities that provide outstanding capabilities for imaging and spectroscopy, characterizing materials of all kinds ranging from hard metals to fragile biological samples, and studying the chemical transformation of matter. These facilities are used to correlate the microscopic structure of materials with their macroscopic properties and to study chemical processes. Such experiments provide critical insights to electronic, atomic, and molecular configurations, often at ultrasmall length and ultrafast time scales.

  11. Energy storage

    CERN Document Server

    Brunet, Yves

    2013-01-01

    Energy storage examines different applications such as electric power generation, transmission and distribution systems, pulsed systems, transportation, buildings and mobile applications. For each of these applications, proper energy storage technologies are foreseen, with their advantages, disadvantages and limits. As electricity cannot be stored cheaply in large quantities, energy has to be stored in another form (chemical, thermal, electromagnetic, mechanical) and then converted back into electric power and/or energy using conversion systems. Most of the storage technologies are examined: b

  12. Advanced chemical strategies for lithium–sulfur batteries: A review

    Directory of Open Access Journals (Sweden)

    Xiaojing Fan

    2018-01-01

    Full Text Available Lithium–sulfur (LiS battery has been considered as one of the most promising rechargeable batteries among various energy storage devices owing to the attractive ultrahigh theoretical capacity and low cost. However, the performance of LiS batteries is still far from theoretical prediction because of the inherent insulation of sulfur, shuttling of soluble polysulfides, swelling of cathode volume and the formation of lithium dendrites. Significant efforts have been made to trap polysulfides via physical strategies using carbon based materials, but the interactions between polysulfides and carbon are so weak that the device performance is limited. Chemical strategies provide the relatively complemented routes for improving the batteries' electrochemical properties by introducing strong interactions between functional groups and lithium polysulfides. Therefore, this review mainly discusses the recent advances in chemical absorption for improving the performance of LiS batteries by introducing functional groups (oxygen, nitrogen, and boron, etc. and chemical additives (metal, polymers, etc. to the carbon structures, and how these foreign guests immobilize the dissolved polysulfides.

  13. Ge-rich islands grown on patterned Si substrates by low-energy plasma-enhanced chemical vapour deposition

    International Nuclear Information System (INIS)

    Bollani, M; Fedorov, A; Chrastina, D; Sordan, R; Picco, A; Bonera, E

    2010-01-01

    Si 1-x Ge 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 1-x Ge 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 μRaman 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 -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.

  14. Ge-rich islands grown on patterned Si substrates by low-energy plasma-enhanced chemical vapour deposition.

    Science.gov (United States)

    Bollani, M; Chrastina, D; Fedorov, A; Sordan, R; Picco, A; Bonera, E

    2010-11-26

    Si(1-x)Ge(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(1-x)Ge(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 μRaman 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(-1)) and low temperature (650 °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.

  15. Chemical aspects of radiation damage processes: radiolysis

    International Nuclear Information System (INIS)

    Asmus, K.D.

    1975-01-01

    The formation of primary species and radiation chemical yields are discussed. In a section on chemical scavenging of primary species the author considers scavenging kinetics and competition reactions and gives a brief outline of some experimental methods. The radiation chemistry of aqueous solutions is discussed as an example for polar solvents. Cyclohexane is used as an example for non-polar solvents. The importance of excited states and energy transfer is considered. Reactions in the solid state are discussed and results on linear energy transfer and average ion pair formation for various kinds of radiation are surveyed. (B.R.H.)

  16. Framework methodology for increased energy efficiency and renewable feedstock integration in industrial clusters

    International Nuclear Information System (INIS)

    Hackl, Roman; Harvey, Simon

    2013-01-01

    Highlights: • Framework methodology for energy efficiency of process plants and total sites. • Identification of suitable biorefinery based on host site future energy systems. • Case study results show large energy savings of site wide heat integration. • Case study on refrigeration systems: 15% shaft work savings potential. • Case study on biorefinery integration: utility savings potential of up to 37%. - Abstract: Energy intensive industries, such as the bulk chemical industry, are facing major challenges and adopting strategies to face these challenges. This paper investigates options for clusters of chemical process plants to decrease their energy and emission footprints. There is a wide range of technologies and process integration opportunities available for achieving these objectives, including (i) decreasing fossil fuel and electricity demand by increasing heat integration within individual processes and across the total cluster site; (ii) replacing fossil feedstocks with renewables and biorefinery integration with the existing cluster; (iii) increasing external utilization of excess process heat wherever possible. This paper presents an overview of the use of process integration methods for development of chemical clusters. Process simulation, pinch analysis, Total Site Analysis (TSA) and exergy concepts are combined in a holistic approach to identify opportunities to improve energy efficiency and integrate renewable feedstocks within such clusters. The methodology is illustrated by application to a chemical cluster in Stenungsund on the West Coast of Sweden consisting of five different companies operating six process plants. The paper emphasizes and quantifies the gains that can be made by adopting a total site approach for targeting energy efficiency measures within the cluster and when investigating integration opportunities for advanced biorefinery concepts compared to restricting the analysis to the individual constituent plants. The

  17. Chemicals-Industry of the Future; Industrial Partnerships: Advancing Energy and Environmental Goals

    International Nuclear Information System (INIS)

    DOE Office of Industrial Technologies

    2001-01-01

    This tri-fold brochure describe the partnering activities of the Office of Industrial Technologies' (OIT) Industries of the Future (IOF) for Chemicals. Information on what works for the Chemicals industry, examples of successful partnerships, and benefits of partnering with OIT are included

  18. Chemical-to-Electricity Carbon: Water Device.

    Science.gov (United States)

    He, Sisi; Zhang, Yueyu; Qiu, Longbin; Zhang, Longsheng; Xie, Yun; Pan, Jian; Chen, Peining; Wang, Bingjie; Xu, Xiaojie; Hu, Yajie; Dinh, Cao Thang; De Luna, Phil; Banis, Mohammad Norouzi; Wang, Zhiqiang; Sham, Tsun-Kong; Gong, Xingao; Zhang, Bo; Peng, Huisheng; Sargent, Edward H

    2018-03-26

    The ability to release, as electrical energy, potential energy stored at the water:carbon interface is attractive, since water is abundant and available. However, many previous reports of such energy converters rely on either flowing water or specially designed ionic aqueous solutions. These requirements restrict practical application, particularly in environments with quiescent water. Here, a carbon-based chemical-to-electricity device that transfers the chemical energy to electrical form when coming into contact with quiescent deionized water is reported. The device is built using carbon nanotube yarns, oxygen content of which is modulated using oxygen plasma-treatment. When immersed in water, the device discharges electricity with a power density that exceeds 700 mW m -2 , one order of magnitude higher than the best previously published result. X-ray absorption and density functional theory studies support a mechanism of operation that relies on the polarization of sp 2 hybridized carbon atoms. The devices are incorporated into a flexible fabric for powering personal electronic devices. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Energetic analysis of a syngas-fueled chemical-looping combustion combined cycle with integration of carbon dioxide sequestration

    International Nuclear Information System (INIS)

    Jiménez Álvaro, Ángel; Paniagua, Ignacio López; Fernández, Celina González; Carlier, Rafael Nieto; Martín, Javier Rodríguez

    2014-01-01

    Chemical-looping combustion for power generation has significant advantages over conventional combustion. Mainly, it allows an integration of CO 2 capture in the power plant without energy penalty; secondly, a less exergy destruction in the combustion chemical transformation is achieved, leading to a greater overall thermal efficiency. Most efforts have been devoted to systems based on methane as a fuel, although other systems for alternative fuels have can be proposed. This paper focus on the study of the energetic performance of this concept of combustion in a gas turbine combined cycle when synthesis gas is used as fuel. After optimization of some thermodynamic parameters of the cycle, the power plant performance is evaluated under diverse working conditions and compared to a conventional gas turbine system. Energy savings related with CO 2 capture and storage have been quantified. The overall efficiency increase is found to be significant, reaching values of around 5% (even more in some cases). In order to analyze the influence of syngas composition on the results, different H 2 -content fuels are considered. In a context of real urgency to reduce green house gas emissions, this work is intended to contribute to the conceptual development of highly efficient alternative power generation systems. - Highlights: • Analysis of the energetic performance of a CLC (chemical-looping combustion) gas turbine system is done. • Syngas as fuel and iron oxides as oxygen carrier are considered. • Different H 2 -content syngas are under study. • Energy savings accounting CO 2 sequestration and storage are quantified. • A significant increase on thermal efficiency of about 5–6% is found

  20. Summaries of FY 1993 research in the chemical sciences

    Energy Technology Data Exchange (ETDEWEB)

    1993-08-01

    The summaries in photochemical and radiation sciences, chemical physics, atomic physics, chemical energy, separations and analysis, heavy element chemistry, chemical engineering sciences, and advanced battery technology are arranged according to national laboratories and offsite institutions. Small business innovation research projects are also listed. Special facilities supported wholly or partly by the Division of Chemical Sciences are described. Indexes are provided for selected topics of general interest, institutions, and investigators.

  1. On the chemical enhancement in SERS

    Science.gov (United States)

    Jensen, Lasse

    2012-12-01

    In Surface-enhanced Raman scattering (SERS), the Raman signal of a molecule adsorbed on a metal surface is enhanced by many orders of magnitude. This provides a "finger-print" of molecules which can be used in ultrasensitive sensing devises. Here we present a time-dependent density functional theory (TDDFT) study of the molecule-surface chemical coupling in SERS. A systematic study of the chemical enhancement (CHEM) of meta-and para-substituted pyridines interacting with a small silver cluster (Ag20) is presented. We find that the magnitude of chemical enhancement is governed to a large extent by the energy difference between the highest occupied energy level (HOMO) of the metal and the lowest unoccupied energy level (LUMO) of the molecule. A two-state approximation shows that the enhancement scales roughly as (ωX/ω¯e)4, where accent="true">ω¯e is an average excitation energy between the HOMO of the metal and the LUMO of the molecule and wX the HOMO-LUMO gap of the free molecule. Furthermore, we demonstrate that it is possible to control the CHEM enhancement by switching a dithienylethene photoswitch from its closed form to its open form. The open form of the photoswitch is found to be the strongest Raman scatterer when adsorbed on the surface whereas the opposite is found for the free molecule. This trend is explained using the simple two-state approximation.

  2. Journal of Chemical Sciences | Indian Academy of Sciences

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences. Biman Jana. Articles written in Journal of Chemical Sciences. Volume 119 Issue 5 September 2007 pp 343-350. Orientational dynamics and energy landscape features of thermotropic liquid crystals: An analogy with supercooled liquids · Biman Jana Biman Bagchi.

  3. Advanced chemical oxygen iodine lasers for novel beam generation

    Science.gov (United States)

    Wu, Kenan; Zhao, Tianliang; Huai, Ying; Jin, Yuqi

    2018-03-01

    Chemical oxygen iodine laser, or COIL, is an impressive type of chemical laser that emits high power beam with good atmospheric transmissivity. Chemical oxygen iodine lasers with continuous-wave plane wave output are well-developed and are widely adopted in directed energy systems in the past several decades. Approaches of generating novel output beam based on chemical oxygen iodine lasers are explored in the current study. Since sophisticated physical processes including supersonic flowing of gaseous active media, chemical reacting of various species, optical power amplification, as well as thermal deformation and vibration of mirrors take place in the operation of COIL, a multi-disciplinary model is developed for tracing the interacting mechanisms and evaluating the performance of the proposed laser architectures. Pulsed output mode with repetition rate as high as hundreds of kHz, pulsed output mode with low repetition rate and high pulse energy, as well as novel beam with vector or vortex feature can be obtained. The results suggest potential approaches for expanding the applicability of chemical oxygen iodine lasers.

  4. Chemical composition, radiopacity, and biocompatibility of Portland cement with bismuth oxide.

    Science.gov (United States)

    Hwang, Yun-Chan; Lee, Song-Hee; Hwang, In-Nam; Kang, In-Chol; Kim, Min-Seok; Kim, Sun-Hun; Son, Ho-Hyun; Oh, Won-Mann

    2009-03-01

    This study compared the chemical constitution, radiopacity, and biocompatibility of Portland cement containing bismuth oxide (experimental cement) with those of Portland cement and mineral trioxide aggregate (MTA). The chemical constitution of materials was determined by scanning electron microscopy and energy-dispersive X-ray analysis. The radiopacity of the materials was determined using the ISO/6876 method. The biocompatibility of the materials was tested by MTT assay and tissue reaction. The constitution of all materials was similar. However, the Portland cement and experimental cement were more irregular and had a larger particle size than MTA. The radiopacity of the experimental cement was similar to MTA. The MTT assay revealed MTA to have slightly higher cell viability than the other materials. However, there were no statistically significant differences between the materials, with the exception of MTA at 24 h. There was no significant difference in the tissue reaction between the experimental groups. These results suggest that the experimental cement may be used as a substitute for MTA.

  5. Non-equilibrium reaction rates in chemical kinetic equations

    Science.gov (United States)

    Gorbachev, Yuriy

    2018-05-01

    Within the recently proposed asymptotic method for solving the Boltzmann equation for chemically reacting gas mixture, the chemical kinetic equations has been derived. Corresponding one-temperature non-equilibrium reaction rates are expressed in terms of specific heat capacities of the species participate in the chemical reactions, bracket integrals connected with the internal energy transfer in inelastic non-reactive collisions and energy transfer coefficients. Reactions of dissociation/recombination of homonuclear and heteronuclear diatomic molecules are considered. It is shown that all reaction rates are the complex functions of the species densities, similarly to the unimolecular reaction rates. For determining the rate coefficients it is recommended to tabulate corresponding bracket integrals, additionally to the equilibrium rate constants. Correlation of the obtained results with the irreversible thermodynamics is established.

  6. Chemical Composition and Bioactive Compounds of Some Wild Edible Mushrooms

    Directory of Open Access Journals (Sweden)

    Melinda NAGY

    2017-05-01

    Full Text Available Over the last decades, the consumption of mushrooms has significantly increased due to the scientific evidence of their ability to help the organism in the combat and prevention of several diseases (Kalac, 2009. Fruiting bodies of mushrooms are consumed as a delicacy for their texture and flavour, but also for their nutritional properties that makes them even more attractable (Heleno S. 2015. In this paper data were collected from several scientific studies with the aim to characterize the chemical composition and content of bioactive compounds of various mushrooms species: Agaricus bisporus, Boletus edulis, Cantharellus cibarius, Pleurotus ostreatus, Lactarius piperatus. The chemical composition of 5 wild edible studied mushrooms, including moisture, ash, total carbohydrates, total sugars, crude fat, crude protein and energy were determined according to AOAC procedures.

  7. Electrifying microbes for the production of chemicals

    DEFF Research Database (Denmark)

    Tremblay, Pier-Luc; Zhang, Tian

    2015-01-01

    have critical impact on the current methods of chemical synthesis. MES is a process in which electroautotrophic microbes use electrical current as electron source to reduce CO2 to multicarbon organics. Electricity necessary for MES can be harvested from renewable resources such as solar energy, wind......Powering microbes with electrical energy to produce valuable chemicals such as biofuels has recently gained traction as a biosustainable strategy to reduce our dependence on oil. Microbial electrosynthesis (MES) is one of the bioelectrochemical approaches developed in the last decade that could...... turbine, or wastewater treatment processes. The net outcome is that renewable energy is stored in the covalent bonds of organic compounds synthesized from greenhouse gas. This review will discuss the future of MES and the challenges that lie ahead for its development into a mature technology....

  8. Selection for high and low oxygen consumption-induced differences in maintenance energy requirements of mice.

    Science.gov (United States)

    Darhan, Hongyu; Kikusato, Motoi; Toyomizu, Masaaki; Roh, Sang-Gun; Katoh, Kazuo; Sato, Masahiro; Suzuki, Keiichi

    2017-07-01

    Maintenance energy requirements (MER) of mice selected for high (H) or low (L) oxygen consumption (OC) were compared. Forty-four mice from H and L OC lines were weaned at 3 weeks and divided into four experimental groups: group A were sacrificed at 4 weeks; group B were fed ad libitum, and groups C and D were fed 2.8 and 2.4 g/day, respectively, from 4 to 8 weeks of age. Groups B-D were sacrificed at 8 weeks. Chemical components were estimated for all groups. MER was estimated using a model that partitioned metabolizable energy intake into that used for maintenance, and protein and fat deposition. The feed conversion ratio for the B group was significantly higher in the H than in the L line. Feed intake for metabolic energy content per metabolic body size was significantly also higher in the H line, whereas accumulated energy content per metabolic body size was significantly higher in the L line. MER of the H line was greater than that of the L line (P < 0.10). These results suggest that selection for H or L OC produced differences in chemical components, feed efficiency, and MER between the H and L lines. © 2016 Japanese Society of Animal Science.

  9. The perspectives of fusion energy: The roadmap towards energy production and fusion energy in a distributed energy system

    DEFF Research Database (Denmark)

    Naulin, Volker; Juul Rasmussen, Jens; Korsholm, Søren Bang

    2014-01-01

    at very high temperature where all matter is in the plasma state as the involved energies are orders of magnitude higher than typical chemical binding energies. It is one of the great science and engineering challenges to construct a viable power plant based on fusion energy. Fusion research is a world...... The presentation will discuss the present status of the fusion energy research and review the EU Roadmap towards a fusion power plant. Further the cost of fusion energy is assessed as well as how it can be integrated in the distributed energy system......Controlled thermonuclear fusion has the potential of providing an environmentally friendly and inexhaustible energy source for mankind. Fusion energy, which powers our sun and the stars, is released when light elements, such as the hydrogen isotopes deuterium and tritium, fuse together. This occurs...

  10. 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.

  11. Chemical reactions induced by fast neutron irradiation

    International Nuclear Information System (INIS)

    Katsumura, Y.

    1989-01-01

    Here, several studies on fast neutron irradiation effects carried out at the reactor 'YAYOI' are presented. Some indicate a significant difference in the effect from those by γ-ray irradiation but others do not, and the difference changes from subject to subject which we observed. In general, chemical reactions induced by fast neutron irradiation expand in space and time, and there are many aspects. In the time region just after the deposition of neutron energy in the system, intermediates are formed densely and locally reflecting high LET of fast neutrons and, with time, successive reactions proceed parallel to dissipation of localized energy and to diffusion of the intermediates. Finally the reactions are completed in longer time region. If we pick up the effects which reserve the locality of the initial processes, a significant different effect between in fast neutron radiolysis and in γ-ray radiolysis would be derived. If we observe the products generated after dissipation and diffusion in longer time region, a clear difference would not be observed. Therefore, in order to understand the fast neutron irradiation effects, it is necessary to know the fundamental processes of the reactions induced by radiations. (author)

  12. Coarse grain model for coupled thermo-mechano-chemical processes and its application to pressure-induced endothermic chemical reactions

    International Nuclear Information System (INIS)

    Antillon, Edwin; Banlusan, Kiettipong; Strachan, Alejandro

    2014-01-01

    We extend a thermally accurate model for coarse grain dynamics (Strachan and Holian 2005 Phys. Rev. Lett. 94 014301) to enable the description of stress-induced chemical reactions in the degrees of freedom internal to the mesoparticles. Similar to the breathing sphere model, we introduce an additional variable that describes the internal state of the particles and whose dynamics is governed both by an internal potential energy function and by interparticle forces. The equations of motion of these new variables are derived from a Hamiltonian and the model exhibits two desired features: total energy conservation and Galilean invariance. We use a simple model material with pairwise interactions between particles and study pressure-induced chemical reactions induced by hydrostatic and uniaxial compression. These examples demonstrate the ability of the model to capture non-trivial processes including the interplay between mechanical, thermal and chemical processes of interest in many applications. (paper)

  13. Photoswitchable Molecular Rings for Solar-Thermal Energy Storage.

    Science.gov (United States)

    Durgun, E; Grossman, Jeffrey C

    2013-03-21

    Solar-thermal fuels reversibly store solar energy in the chemical bonds of molecules by photoconversion, and can release this stored energy in the form of heat upon activation. Many conventional photoswichable molecules could be considered as solar thermal fuels, although they suffer from low energy density or short lifetime in the photoinduced high-energy metastable state, rendering their practical use unfeasible. We present a new approach to the design of chemistries for solar thermal fuel applications, wherein well-known photoswitchable molecules are connected by different linker agents to form molecular rings. This approach allows for a significant increase in both the amount of stored energy per molecule and the stability of the fuels. Our results suggest a range of possibilities for tuning the energy density and thermal stability as a function of the type of the photoswitchable molecule, the ring size, or the type of linkers.

  14. Metal modified graphite. An innovative material for systems converting electro-chemical energy; Metallmodifizierter Graphit. Ein innovativer Werkstoff fuer Systeme zur elektrochemischen Energieumwandlung

    Energy Technology Data Exchange (ETDEWEB)

    Mayer, Peter

    2007-07-23

    The work deals with metal modification of graphite electrodes in a water-acid electrolyte solution. The target is to improve the catalytic properties of graphite electrodes as they are applied in redox storage batteries for storing electric energy. Different carbon and graphite materials were used and coated electro-chemically with different metals. After being coated with metal the graphite and carbon electrodes were investigated in terms of changing their catalytic properties by means of impedance measurements. It was shown, a metal coating without a prior activation with electro-chemical oxidation-reduction cycles only results in a low or zero increase of the catalytic properties. Investigations at the electrode material glass carbon showed, a prior activation of the electrode surface by means of electro-chemical oxidation-reduction cycles decreases the penetration resistance. The activation of the glass carbon surface prior to the surface coating with metal is favourable to the electro-chemical properties of the metal-modified electrode. All carbon types, which were used in this work, could be activated at a different level by means of electro-chemical oxidation-reduction cycles depending on the carbon type. The investigations further showed that the edge levels of the carbon were activated by means of the electro-chemical oxidation-reduction cycles. The metal precipitation favourably occurs at the activated positions. (orig.) [German] Die Arbeit befasst sich mit der Metallmodifizierung von Graphitelektroden in waessriger saurer Elektrolytloesung. Ziel ist es die katalytischen Eigenschaften von Graphitelektroden wie sie in Redoxspeicherbatterien zur Speicherung von elektrischer Energie eingesetzt werden zu verbessern. Fuer die Untersuchungen wurden unterschiedliche Kohlenstoff und Graphitmaterialien eingesetzt, die elektrochemisch mit verschiedenen Metallen belegt wurden. Die Graphit- und Kohlenstoffelektroden wurden nach der Metallbelegung durch

  15. Solar cells elaborated by chemical methods: examples of research and development at CIE-UNAM

    International Nuclear Information System (INIS)

    Rincon, Marina E.

    2008-01-01

    Full text: At the Energy Research Center (CIE-UNAM-Mexico), the major areas of renewable energy research are solar thermal energy, photovoltaic energy, geothermal energy, hydrogen energy, materials for renewable energy, and energy planning. Among the efforts to developed solar cells, both physical and chemical methods are in progress at CIE-UNAM. In this contribution we focus on the advancement in efficiency, stability, and cost, of photovoltaic junctions based on chemically deposited films. Examples of early research are a composite thin film electrode comprised of SnO2/Bi2S3 nanocrystallites (5 nm) prepared by sequential deposition of SnO2 and Bi2S3 films onto an optically transparent electrode; the co-deposition of pyrrole and Bi2S3 nanoparticles on chemically deposited bismuth sulfide substrates to explore new approaches to improve light-collection efficiency in polymer photovoltaics; the sensitization of titanium dioxide coatings by chemically deposited cadmium selenide and bismuthe sulfide thin films. Here the good photostability of the coatings was promising for the use of the sensitized films in photocatalytic as well as photovoltaic applications. More recently, chemically deposited cadmium sulfide thin films have been explored in planar hybrid heterojunctions with chemically synthesized poly 3-octylthiophene, as well as all-chemically deposited photovoltaic structures. Examples of the last are: chemically deposited thin films of CdS (80 nm), Sb2S3 (450 nm), and Ag2Se (150 nm) annealed at 300 C and integrated into a p-i-n structure glass/SnO2:F/n-CdS/Sb2S3/p-AgSbSe2/Ag, showing Voc ∼ 550 mV and Jsc ∼ 2.3 mA/cm2 at 1 kW/m2 (tungsten halogen) intensity. Similarly, chemically deposited SnS (450nm) and CuS (80nm) thin films integrated in a photovoltaic structure SnO2:F/CdS/SnS/CuS/Ag, showing Voc>300 mV and Jsc up to 5 mA/cm2 under 850 W/m2 tungsten halogen illumination. These photovoltaic structures have been found to be stable over a period extending over

  16. Overview of Energy Development Opportunities for Wyoming

    Energy Technology Data Exchange (ETDEWEB)

    Larry Demick

    2012-11-01

    An important opportunity exists for the energy future of Wyoming that will • Maintain its coal industry • Add substantive value to its indigenous coal and natural gas resources • Improve dramatically the environmental impact of its energy production capability • Increase its Gross Domestic Product These can be achieved through development of a carbon conversion industry that transforms coal and natural gas to synthetic transportation fuels, chemical feedstocks, and chemicals that are the building blocks for the chemical industry. Over the longer term, environmentally clean nuclear energy can provide the substantial energy needs of a carbon conversion industry and be part of the mix of replacement technologies for the current fleet of aging coal-fired electric power generating stations.

  17. Planning Energy Sector Development in Croatian Agricultural Sector Following Guidelines of the European Energy Policy 20-20-20

    International Nuclear Information System (INIS)

    Kirac, M.; Krajacic, G.; Duic, N.

    2009-01-01

    Energy system planning is among the most important tasks of any society. A stable energy system is a foundation for economic growth, growing living standard and general prosperity of the society. Agriculture represents an important factor in overall Croatian economy; therefore, planning of the agriculture's energy system is a major task. To foresee the trend of consumption and to ensure reasonable economic energy supply in accordance with this trend is a process which should be continuously optimised so that the planned scenario could reflect actual situation. The agriculture, thanks to natural resources, land features and climate advantages represents a major economic sector. This activity has significant impact on food industry, trade, tourism, transport, chemical industry, etc. The relevance of agriculture is also visible in the present number of employees, future potential for employment and foreign trade balance. According to numerous parameters, agricultural activities in Croatia lag behind the EU countries. Great potential can be achieved by implementation of measures for energy intensity reduction and productivity increase.(author).

  18. Distributed energy. Conversion, storage and their development perspectives; Dezentrale Energie. Konversion, Speicherung und deren Entwicklungsperspektiven

    Energy Technology Data Exchange (ETDEWEB)

    Daschner, Robert; Apfelbacher, Andreas; Hornung, Andreas [Fraunhofer Institut fuer Umwelt-, Sicherheits- und Energietechnik UMSICHT, Sulzbach-Rosenberg (Germany)

    2015-11-01

    The energy transition (''Energiewende'') has already impact on the energy generation structure in Germany. In future, these trends are likely to intensify and distributed systems, such as wind, solar and also biomass and waste are increasingly going to generate energy. According to own simulations, it is foreseeable that the balance of energy demand increases sharply due to the high installed capacity, especially in wind power and PV systems in combination with their fluctuating generation. Due to the increasing surplus in electricity generation, energy has to be stored in the form of electricity, heat, but also chemically, because in this way, long-term storage and system transition of power to other forms of use, such as the chemical industry and mobility, can be achieved.

  19. Chemical potential and internal energy of the noninteracting Fermi ...

    Indian Academy of Sciences (India)

    entropy by T, dV is the change in volume by p and µ is the chemical potential. When S .... thin films are actually not 2D objects, but fractals with Hausdorff dimensionalities between 2D ..... sharpness of the edge of the Fermi surface is lost. In the ...

  20. Journal of Chemical Sciences | Indian Academy of Sciences

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences. Hemant K Kashyap. Articles written in Journal of Chemical Sciences. Volume 119 Issue 5 September 2007 pp 391-399. Non-ideality in Born-free energy of solvation in alcohol-water and dimethylsulfoxide-acetonitrile mixtures: Solvent size ratio and ion size dependence.

  1. Biokinetic data of various radioactive cationic molecules. An attempt at evaluation of significant chemical properties of myotropic agents

    International Nuclear Information System (INIS)

    Munze, R.; Kretzschmar, M.; Syhre, R.; Kampf, G.; Klotzer, D.; Guthert, I.; Bergmann, R.

    1986-01-01

    Research on lipophilic cationic radiopharmaceuticals has been established as an important field of modern radiopharmacology and experimental nuclear medicine. The present state is best demonstrated by scintigrams obtained with Tc-TBI (TBI = tertiary butylisocyanide). These images clearly reveal the advantage of these compounds, namely high information density, which resulted in an excellent delineation of activity accumulations, as well as the lasting drawback represented by partial overlapping of the right lobe of the liver in a certain region of the inferior wall of the heart. Current research is mainly focused on overcoming this disadvantage by synthesizing appropriate compounds with higher heart/liver uptake in man. A more sophisticated rationale than cationic charge and lipophilicity would be much appreciated. This paper deals with possible correlations between the biodistribution and biokinetics of such compounds, though not exclusively for technetium cations, and their important chemical properties such as composition, size, and polar regions within the lipophilic molecule, which are considered significant parameters

  2. Effect of Various Organic Fertilizers Substitute Chemical Fertilizer on Cucumber Productions

    International Nuclear Information System (INIS)

    Piadang, Nattayana; Ratanapanit, Sittisuk; Chaowanklang, Pratuang; Ratanapanit; Nadtinee; Jaipakdee, Putinee; Ongsakitboriboon

    2006-09-01

    The effect of using the various organic fertilizer to substitute on the chemical fertilizer on cucumber, was carried out at Tambol Pattananikom, Amphur Pattananikom, Lopburi, Thailand, from December 1, 2005 to February 1, 2006 By using Randomized Comp let Block Design (RCBD), Contain with 4 treatments, chemical fertilizer: 16-16-16: 40 Kg/rai (Control), Pillet organic fertilizer: 50 Kg/rai, Bio extract from cow milk: 300 cc./ water 20 Ltr,.+ compost mixed in soil and bio fertilizer from the office of Atomic Energy Peace : 300 cc./water 20 Ltr. + campost mixed in soil (15 m. 2 /plot) were compared. Experiment result indicate that there were no significant differences on the yield. The highest yield of 25.91 kg/plot (27663.73 kg/rai) was obtained from chemical fertilizer, Fertilizer, followed by pillet organic fertilizer 22.88 kg/plot (2440.53 kg/rai), bio fertilizer 22.34 kg/pot (2382.93 kg/rai) and bio extract 19.03 kg/plot) (2029.87 kg/rai.

  3. Radiological equivalent of chemical pollutants

    International Nuclear Information System (INIS)

    Medina, V.O.

    1982-01-01

    The development of the peaceful uses of nuclear energy has caused continued effort toward public safety through radiation health protection measures and nuclear management practices. However, concern has not been focused on the development specifically in the operation of chemical pestrochemical industries as well as other industrial processes brought about by technological advancements. This article presents the comparison of the risk of radiation and chemicals. The methods used for comparing the risks of late effects of radiation and chemicals are considered at three levels. (a) as a frame of reference to give an impression of resolving power of biological tests; (b) as methods to quantify risks; (c) as instruments for an epidemiological survey of human populations. There are marked dissimilarities between chemicals and radiation and efforts to interpret chemical activity may not be achieved. Applicability of the concept of rad equivalence has many restrictions and as pointed out this approach is not an established one. (RTD)

  4. Shallow nitrogen ion implantation: Evolution of chemical state and defect structure in titanium

    Energy Technology Data Exchange (ETDEWEB)

    Manojkumar, P.A., E-mail: manoj@igcar.gov.in [Indira Gandhi Centre for Atomic Research, Kalpakkam 603102 (India); Chirayath, V.A.; Balamurugan, A.K.; Krishna, Nanda Gopala; Ilango, S.; Kamruddin, M.; Amarendra, G.; Tyagi, A.K. [Indira Gandhi Centre for Atomic Research, Kalpakkam 603102 (India); Raj, Baldev [National Institute of Advanced Studies, Bangalore 560 012 (India)

    2016-09-15

    Highlights: • Low energy nitrogen ion implantation in titanium was studied. • Chemical and defect states were analyzed using SIMS, XPS and PAS. • SIMS and depth resolved XPS data showed good agreement. • Depth resolved defect and chemical states information were revealed. • Formation of 3 layers of defect states proposed to fit PAS results. - Abstract: Evolution of chemical states and defect structure in titanium during low energy nitrogen ion implantation by Plasma Immersion Ion Implantation (PIII) process is studied. The underlying process of chemical state evolution is investigated using secondary ion mass spectrometry and X-ray photoelectron spectroscopy. The implantation induced defect structure evolution as a function of dose is elucidated using variable energy positron annihilation Doppler broadening spectroscopy (PAS) and the results were corroborated with chemical state. Formation of 3 layers of defect state was modeled to fit PAS results.

  5. Approximation of theoretical energy-saving potentials for the petrochemical industry using energy balances for 68 key processes

    International Nuclear Information System (INIS)

    Neelis, Maarten; Patel, Martin; Blok, Kornelis; Haije, Wim; Bach, Pieter

    2007-01-01

    We prepared energy and carbon balances for 68 petrochemical processes in the petrochemical industry for Western Europe, the Netherlands and the world. We analysed the process energy use in relation to the heat effects of the chemical reactions and quantified in this way the sum of all energy inputs into the processes that do not end up in the useful products of the process, but are lost as waste heat to the environment. We showed that both process energy use and heat effects of reaction contribute significantly to the overall energy loss of the processes studied and recommend addressing reaction effects explicitly in energy-efficiency studies. We estimated the energy loss in Western Europe in the year 2000 at 1620 PJ of final energy and 1936 PJ of primary energy, resulting in a total of 127 Mt CO 2 . The losses identified can be regarded as good approximations of the theoretical energy-saving potentials of the processes analysed. The processes with large energy losses in relative (per tonne of product) and absolute (in PJ per year) terms are recommended for more detailed analysis taking into account further thermodynamic, economic, and practical considerations to identify technical and economic energy-saving potentials

  6. 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. Copyright © 2015. Published by Elsevier B.V.

  7. Development of high power chemical oxygen lodine laser

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Cheol Jung; Choi, Y. D.; Chung, C. M.; Kim, M. S.; Baik, S. H.; Kwon, S. O.; Park, S. K.; Kim, T. S

    2001-10-01

    This project is directed to construct 10kW Chemical Oxygen Iodine Laser (COIL) for decommissioning of old nuclear facilities, and to get the key technology that can be used for the development of high energy laser weapon. COIL is possible up to MW class in proportion to the amount of chemical reaction. For this reason, high energy laser weapon including Airborne Laser (ABL) and Airborne Tactical Laser (ATL) has been developed as a military use in USA. Recently, many research group have been doing a development study of COIL for nuclear and industrial use in material processing such as cutting and decommissioning by combining laser beam delivery through optical fiber. The Chemical Oxygen Iodine Laser of 6 kW output power has been developed in this project. The main technologies of chemical reaction and supersonic fluid control were developed. This technology can be applied for construction of 10 kW laser system. This laser can be used for old nuclear facilities and heavy industry by combining laser beam delivery through optical fiber. The development of High Energy Laser (HEL) weapon is necessary as a military use, and we conclude that Airborne Tactical Laser should be developed in our country.

  8. Liquid-phase chemical hydrogen storage: catalytic hydrogen generation under ambient conditions.

    Science.gov (United States)

    Jiang, Hai-Long; Singh, Sanjay Kumar; Yan, Jun-Min; Zhang, Xin-Bo; Xu, Qiang

    2010-05-25

    There is a demand for a sufficient and sustainable energy supply. Hence, the search for applicable hydrogen storage materials is extremely important owing to the diversified merits of hydrogen energy. Lithium and sodium borohydride, ammonia borane, hydrazine, and formic acid have been extensively investigated as promising hydrogen storage materials based on their relatively high hydrogen content. Significant advances, such as hydrogen generation temperatures and reaction kinetics, have been made in the catalytic hydrolysis of aqueous lithium and sodium borohydride and ammonia borane as well as in the catalytic decomposition of hydrous hydrazine and formic acid. In this Minireview we briefly survey the research progresses in catalytic hydrogen generation from these liquid-phase chemical hydrogen storage materials.

  9. Systematic trends in photonic reagent induced reactions in a homologous chemical family.

    Science.gov (United States)

    Tibbetts, Katharine Moore; Xing, Xi; Rabitz, Herschel

    2013-08-29

    The growing use of ultrafast laser pulses to induce chemical reactions prompts consideration of these pulses as "photonic reagents" in analogy to chemical reagents. This work explores the prospect that photonic reagents may affect systematic trends in dissociative ionization reactions of a homologous family of halomethanes, much as systematic outcomes are often observed for reactions between homologous families of chemical reagents and chemical substrates. The experiments in this work with photonic reagents of varying pulse energy and linear spectral chirp reveal systematic correlations between observable ion yields and the following set of natural variables describing the substrate molecules: the ionization energy of the parent molecule, the appearance energy of each fragment ion, and the relative strength of carbon-halogen bonds in molecules containing two different halogens. The results suggest that reactions induced by photonic reagents exhibit systematic behavior analogous to that observed in reactions driven by chemical reagents, which provides a basis to consider empirical "rules" for predicting the outcomes of photonic reagent induced reactions.

  10. Suicidal Behavior in Chemically Dependent Adolescents.

    Science.gov (United States)

    Cavaiola, Alan A.; Lavender, Neil

    1999-01-01

    Study explores distinctions between chemically dependent suicide attempters, chemically dependent nonsuicidal adolescents, and high school students with no history of chemical dependency (N=250). Results reveal that there were significant differences between the chemically dependent groups. It was also found that the majority of suicidal gestures…

  11. Nanoscale Advances in Catalysis and Energy Applications

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yimin; Somorjai, Gabor A.

    2010-05-12

    In this perspective, we present an overview of nanoscience applications in catalysis, energy conversion, and energy conservation technologies. We discuss how novel physical and chemical properties of nanomaterials can be applied and engineered to meet the advanced material requirements in the new generation of chemical and energy conversion devices. We highlight some of the latest advances in these nanotechnologies and provide an outlook at the major challenges for further developments.

  12. Significance of energy for the standard of living, the economic development and the environment

    International Nuclear Information System (INIS)

    Haefele, W.

    1977-01-01

    In this contribution, after introductory remarks on the present global energy supply situation, the main reasons for the constantly rising energy demand are discussed (development of developing countries, growth in the world population, and growth in the industrial countries), and possibilities are presented to meet this demand by means of new energy sources (nuclear, solar, wind, tidal energy, etc.). (RW) [de

  13. Chemical Reaction Rates from Ring Polymer Molecular Dynamics: Zero Point Energy Conservation in Mu + H2 → MuH + H.

    Science.gov (United States)

    Pérez de Tudela, Ricardo; Aoiz, F J; Suleimanov, Yury V; Manolopoulos, David E

    2012-02-16

    A fundamental issue in the field of reaction dynamics is the inclusion of the quantum mechanical (QM) effects such as zero point energy (ZPE) and tunneling in molecular dynamics simulations, and in particular in the calculation of chemical reaction rates. In this work we study the chemical reaction between a muonium atom and a hydrogen molecule. The recently developed ring polymer molecular dynamics (RPMD) technique is used, and the results are compared with those of other methods. For this reaction, the thermal rate coefficients calculated with RPMD are found to be in excellent agreement with the results of an accurate QM calculation. The very minor discrepancies are within the convergence error even at very low temperatures. This exceptionally good agreement can be attributed to the dominant role of ZPE in the reaction, which is accounted for extremely well by RPMD. Tunneling only plays a minor role in the reaction.

  14. Chemical physics of electroactive materials: concluding remarks.

    Science.gov (United States)

    Rutland, Mark W

    2017-07-01

    It is an honour to be charged with providing the concluding remarks for a Faraday Discussion. As many have remarked before, it is nonetheless a prodigious task, and what follows is necessarily a personal, and probably perverse, view of a watershed event in the Chemical Physics of Electroactive materials. The spirit of the conference was captured in a single sentence during the meeting itself."It is the nexus between rheology, electrochemistry, colloid science and energy storage". The current scientific climate is increasingly dominated by a limited number of global challenges, and there is thus a tendency for research to resemble a football match played by 6 year olds, where everyone on the field chases the (funding) ball instead of playing to their "discipline". It is thus reassuring to see how the application of rigorous chemical physics is leading to ingenious new solutions for both energy storage and harvesting, via, for example, nanoactuation, electrowetting, ionic materials and nanoplasmonics. In fact, the same language of chemical physics allows seamless transition between applications as diverse as mechano-electric energy generation, active moisture transport and plasmonic shutters - even the origins of life were addressed in the context of electro-autocatalysis!

  15. 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.

  16. Leanergy(TM): how lean manufacturing can improve energy efficiency.

    Science.gov (United States)

    Riche, Jean-Pierre

    2013-01-01

    Energy efficiency has become a competitive issue for industrial companies. The evolution of energy prices and regulation will make this issue even more important in the future. For several years, the energy-intensive chemical industry has been implementing corrective actions. Helped by the absorption of base load energy consumption by larger production volumes, specific energy consumption (KWh per production unit) has been significantly reduced in recent years. However, most plants have reached the end of their first action plan based on improving the utilities performance. The Leanergy(TM) method developed by the consultancy company Okavango-energy, is a structured approach based on lean manufacturing which widens the scope of saving sources to process and operations. Starting from the analysis of actual production requirements, Okavango is able to adjust consumption to minimum requirements and so remove any energy consumption that does not contribute to the added value creation.

  17. Chemicals in material cycles

    DEFF Research Database (Denmark)

    Pivnenko, Kostyantyn; Eriksson, Eva; Astrup, Thomas Fruergaard

    2015-01-01

    Material recycling has been found beneficial in terms of resource and energy performance and is greatly promoted throughout the world. A variety of chemicals is used in materials as additives and data on their presence is sparse. The present work dealt with paper as recyclable material and diisob...

  18. Free radical production by high energy shock waves--comparison with ionizing irradiation.

    Science.gov (United States)

    Morgan, T R; Laudone, V P; Heston, W D; Zeitz, L; Fair, W R

    1988-01-01

    Fricke chemical dosimetry is used as an indirect measure of the free radical production of ionizing irradiation. We adapted the Fricke ferrous sulfate radiation dosimeter to examine the chemical effects of high energy shock waves. Significant free radical production was documented. The reaction was dose dependent, predictably increased by acoustic impedance, but curvilinear. A thousand shocks at 18 kilovolts induced the same free radical oxidation as 1100 rad cobalt-60 gamma ionizing irradiation, increasing to 2900 rad in the presence of an air-fluid zone of acoustic impedance. The biological effect of these free radicals was compared to that of cobalt-60 ionizing irradiation by measuring the affect on Chinese hamster cells by clonogenic assay. While cobalt-60 irradiation produced a marked decrease in clonogenic survivors, little effect was noted with high energy shock waves. This suggested that the chemical effects produced by shock waves were either absent or attenuated in the cells, or were inherently less toxic than those of ionizing irradiation.

  19. Taking advantage of natural gas for the energy and fuel supply for the Brazilian energy intensive industries: aluminium, siderurgy and chemical products; O aproveitamento do gas natural para o suprimento de energia e combustivel para as industrias energointensivas brasileiras: aluminio, siderurgia e produtos quimicos

    Energy Technology Data Exchange (ETDEWEB)

    Romero, Jose Fernando Leme [Universidade Sao Paulo (USP), SP (Brazil). Programa Interunidades de Pos Graduacao em Energia]. E-mail: romero@iee.usp.br

    2006-07-01

    This work intend to analyse natural gas success in the energy generation for siderurgy industry, aluminium and basic organic chemical products. There is a necessity to inform economy-policy and the energy policy relationship, showing the Brazilian State actuation in the economic development mechanism and electric energy supply. Cast iron and iron, metals and no-irons are considered as electric intensives and energy intensives industry activities. These are sectors that produce merchandises for exportation and spend many quantities of electrical energy for each produced physical unity of law aggregate economic value. (author)

  20. Chemical graph-theoretic cluster expansions

    International Nuclear Information System (INIS)

    Klein, D.J.

    1986-01-01

    A general computationally amenable chemico-graph-theoretic cluster expansion method is suggested as a paradigm for incorporation of chemical structure concepts in a systematic manner. The cluster expansion approach is presented in a formalism general enough to cover a variety of empirical, semiempirical, and even ab initio applications. Formally such approaches for the utilization of chemical structure-related concepts may be viewed as discrete analogues of Taylor series expansions. The efficacy of the chemical structure concepts then is simply bound up in the rate of convergence of the cluster expansions. In many empirical applications, e.g., boiling points, chromatographic separation coefficients, and biological activities, this rate of convergence has been observed to be quite rapid. More note will be made here of quantum chemical applications. Relations to questions concerning size extensivity of energies and size consistency of wave functions are addressed