On the Future of Thermochemical Databases, the Development of Solution Models and the Practical Use of Computational Thermodynamics in Volcanology, Geochemistry and Petrology: Can Innovations of Modern Data Science Democratize an Oligarchy?

Science.gov (United States)

Ghiorso, M. S.

2014-12-01

Computational thermodynamics (CT) has now become an essential tool of petrologic and geochemical research. CT is the basis for the construction of phase diagrams, the application of geothermometers and geobarometers, the equilibrium speciation of solutions, the construction of pseudosections, calculations of mass transfer between minerals, melts and fluids, and, it provides a means of estimating materials properties for the evaluation of constitutive relations in fluid dynamical simulations. The practical application of CT to Earth science problems requires data. Data on the thermochemical properties and the equation of state of relevant materials, and data on the relative stability and partitioning of chemical elements between phases as a function of temperature and pressure. These data must be evaluated and synthesized into a self consistent collection of theoretical models and model parameters that is colloquially known as a thermodynamic database. Quantitative outcomes derived from CT reply on the existence, maintenance and integrity of thermodynamic databases. Unfortunately, the community is reliant on too few such databases, developed by a small number of research groups, and mostly under circumstances where refinement and updates to the database lag behind or are unresponsive to need. Given the increasing level of reliance on CT calculations, what is required is a paradigm shift in the way thermodynamic databases are developed, maintained and disseminated. They must become community resources, with flexible and assessable software interfaces that permit easy modification, while at the same time maintaining theoretical integrity and fidelity to the underlying experimental observations. Advances in computational and data science give us the tools and resources to address this problem, allowing CT results to be obtained at the speed of thought, and permitting geochemical and petrological intuition to play a key role in model development and calibration.

Evaluation of the performance of MP4-based procedures for a wide range of thermochemical and kinetic properties

Energy Technology Data Exchange (ETDEWEB)

Yu, Li-Juan; Wan, Wenchao; Karton, Amir, E-mail: amir.karton@uwa.edu.au

2016-11-30

We evaluate the performance of standard and modified MPn procedures for a wide set of thermochemical and kinetic properties, including atomization energies, structural isomerization energies, conformational energies, and reaction barrier heights. The reference data are obtained at the CCSD(T)/CBS level by means of the Wn thermochemical protocols. We find that none of the MPn-based procedures show acceptable performance for the challenging W4-11 and BH76 databases. For the other thermochemical/kinetic databases, the MP2.5 and MP3.5 procedures provide the most attractive accuracy-to-computational cost ratios. The MP2.5 procedure results in a weighted-total-root-mean-square deviation (WTRMSD) of 3.4 kJ/mol, whilst the computationally more expensive MP3.5 procedure results in a WTRMSD of 1.9 kJ/mol (the same WTRMSD obtained for the CCSD(T) method in conjunction with a triple-zeta basis set). We also assess the performance of the computationally economical CCSD(T)/CBS(MP2) method, which provides the best overall performance for all the considered databases, including W4-11 and BH76.

CFD Studies on Biomass Thermochemical Conversion

Directory of Open Access Journals (Sweden)

Lifeng Yan

2008-06-01

Full Text Available Thermochemical conversion of biomass offers an efficient and economically process to provide gaseous, liquid and solid fuels and prepare chemicals derived from biomass. Computational fluid dynamic (CFD modeling applications on biomass thermochemical processes help to optimize the design and operation of thermochemical reactors. Recent progression in numerical techniques and computing efficacy has advanced CFD as a widely used approach to provide efficient design solutions in industry. This paper introduces the fundamentals involved in developing a CFD solution. Mathematical equations governing the fluid flow, heat and mass transfer and chemical reactions in thermochemical systems are described and sub-models for individual processes are presented. It provides a review of various applications of CFD in the biomass thermochemical process field.

Thermochemical surface engineering of steels

DEFF Research Database (Denmark)

Thermochemical Surface Engineering of Steels provides a comprehensive scientific overview of the principles and different techniques involved in thermochemical surface engineering, including thermodynamics, kinetics principles, process technologies and techniques for enhanced performance of steels...

Biomass Thermochemical Conversion Program: 1986 annual report

Energy Technology Data Exchange (ETDEWEB)

Schiefelbein, G.F.; Stevens, D.J.; Gerber, M.A.

1987-01-01

Wood and crop residues constitute a vast majority of the biomass feedstocks available for conversion, and thermochemical processes are well suited for conversion of these materials. Thermochemical conversion processes can generate a variety of products such as gasoline hydrocarbon fuels, natural gas substitutes, or heat energy for electric power generation. The US Department of Energy is sponsoring research on biomass conversion technologies through its Biomass Thermochemical Conversion Program. Pacific Northwest Laboratory has been designated the Technical Field Management Office for the Biomass Thermochemical Conversion Program with overall responsibility for the Program. This report briefly describes the Thermochemical Conversion Program structure and summarizes the activities and major accomplishments during fiscal year 1986. 88 refs., 31 figs., 5 tabs.

Microstructure and phase morphology during thermochemical processing of {alpha}{sub 2}-based titanium aluminide castings

Energy Technology Data Exchange (ETDEWEB)

Saqib, M. [Wright State Univ., Dayton, OH (United States). Dept. of Mechanical and Materials Engineering; Apgar, L.S. [Dayton Univ., OH (United States). Graduate Materials Engineering; Eylon, D. [Dayton Univ., OH (United States). Graduate Materials Engineering; Weiss, I. [Wright State Univ., Dayton, OH (United States). Dept. of Mechanical and Materials Engineering

1995-12-31

Changes in the microstructure, volume fraction and distribution of phases during different stages of thermochemical processing of Ti-25Al-10Nb-3V-1Mo (at.%) castings were investigated. Up to 14.5 at.% (0.35 wt.%) of hydrogen was introduced into the material by gas charging at temperatures between 650 and 980 C for times up to 20 h. The material was subsequently dehydrogenated by vacuum annealing at 650 C for 48 h. Investment cast Ti-25Al-10Nb-3V-1Mo alloy, hot isostatically pressed (HIP) at 1175 C at 260 MPa for 6 h, was used as the starting material. The microstructure of the as-HIP material consists of {alpha}{sub 2}, B2 and orthorhombic phases. The {alpha}{sub 2} phase exists in equiaxed, Widmanstaeten and cellular morphologies. The B2 phase is observed mainly along {alpha}{sub 2}/{alpha}{sub 2} boundaries. Some {alpha}{sub 2} Widmanstaeten also contain very fine orthorhombic phase in a plate-like morphology. Hydrogenation of the material modified the microstructure; however, the morphology of the {alpha}{sub 2} and B2 phases did not change. Furthermore, hydride precipitation and a higher volume fraction of the orthorhombic phase were observed compared with the as-HIP material. Following dehydrogenation, the hydrogen level in the material was found to be less than 0.1 at.% (0.0025wt.%). Transmission electron microscopy of the dehydrogenated material did not reveal the presence of hydride precipitates; however, the high volume fraction of the orthorhombic phase was found to persist following dehydrogenation. (orig.)

Mathematical model of phase transformations in thermo-chemical cathodes with zirconium insertion

International Nuclear Information System (INIS)

Kavokin, A.A.; Kazmi, I.H.

2007-01-01

The mathematical model of thermo-chemical processes in the cathode of plasmatron working in the gas environment is investigated. The model describes electromagnetic, temperature and concentration fields taking into account kinetic of phase transformation and chemical reaction in accordance with a state diagram. The offered approach is simpler than the Stefan's approach of describing an analogical phase transformation. As an example the case of copper cathodes with the zirconium insertion in the environment of oxygen is considered. The influence of separate parts of process on distribution of temperature inside of the insertion is estimated. On the basis of this analysis the opportunity of use of stationary approach for electric and temperature fields is shown and analytical formulas for temperature are received. After that a numerical solution for gas concentration distribution is obtained. The calculations on the specified model show that the size of area of a phase zirconium oxides depends mainly upon coefficient of diffusion of oxygen. The calculations for various types of dependencies of gas diffusion coefficient from temperature are concluded. The results of calculations develop understanding of some features of oxidation process of a zirconium insertion. Typical example of multi phase process model is the mathematical description of a heat and mass transfer occurring in metal which is being heated by an electric arch in the gas medium (1, 2, 4). The macroscopic model of physical and chemical transformations can be described as follows (3). As a metal is heated on the surface of an electrode as a function of rising results in the border dividing solid and liquid phases moves ahead deep into the electrode. At the same time there is a diffusion of gas in electrode and formation of new chemical compounds which can noticeably differ in the physical and chemical properties from each other and metal of the electrode. Moreover we shall name a phase of substance not

Performance analysis of an integrated energy storage and energy upgrade thermochemical solid–gas sorption system for seasonal storage of solar thermal energy

International Nuclear Information System (INIS)

Li, Tingxian; Wang, Ruzhu; Kiplagat, Jeremiah K.; Kang, YongTae

2013-01-01

An innovative dual-mode thermochemical sorption energy storage method is proposed for seasonal storage of solar thermal energy with little heat losses. During the charging phase in summer, solar thermal energy is stored in form of chemical bonds resulting from thermochemical decomposition process, which enables the stored energy to be kept several months at ambient temperature. During the discharging phase in winter, the stored thermal energy is released in the form of chemical reaction heat resulting from thermochemical synthesis process. Thermodynamic analysis showed that the advanced dual-mode thermochemical sorption energy storage is an effective method for the long-term seasonal storage of solar energy. A coefficient of performance (COP h ) of 0.6 and energy density higher than 1000 kJ/kg of salt can be attained from the proposed system. During the discharging phase at low ambient temperatures, the stored thermal energy can be upgraded by use of a solid–gas thermochemical sorption heat transformer cycle. The proposed thermochemical sorption energy storage has distinct advantages over the conventional sensible heat and latent heat storage, such as higher energy storage density, little heat losses, integrated energy storage and energy upgrade, and thus it can contribute to improve the seasonal utilization of solar thermal energy. - Highlights: ► A dual-mode solid thermochemical sorption is proposed for seasonal solar thermal energy storage. ► Energy upgrade techniques into the energy storage system are integrated. ► Performance of the proposed seasonal energy storage system is evaluated. ► Energy density and COP h from the proposed system are as high as 1043 kJ/kg of salt and 0.60, respectively

Experimental investigation and thermochemical assessment of the system Cu-Y-O

International Nuclear Information System (INIS)

Zimmermann, E.; Mohammad, A.; Boudene, A.; Neuschuetz, D.

1995-01-01

Experimental investigations of the thermochemical properties of the phases in the system Cu-Y-O by means of DTA, EMF, TG and calorimetric measurements are reported. The results together with critically selected data from the literature are used for a complete assessment of the Gibbs energies of the ternary phases (based on the Standard Element Reference State, SER). For the binary subsystems critically assessed data from the literature are used. (orig.)

Hybrid Thermochemical/Biological Processing

Science.gov (United States)

Brown, Robert C.

The conventional view of biorefineries is that lignocellulosic plant material will be fractionated into cellulose, hemicellulose, lignin, and terpenes before these components are biochemically converted into market products. Occasionally, these plants include a thermochemical step at the end of the process to convert recalcitrant plant components or mixed waste streams into heat to meet thermal energy demands elsewhere in the facility. However, another possibility for converting high-fiber plant materials is to start by thermochemically processing it into a uniform intermediate product that can be biologically converted into a bio-based product. This alternative route to bio-based products is known as hybrid thermochemical/biological processing. There are two distinct approaches to hybrid processing: (a) gasification followed by fermentation of the resulting gaseous mixture of carbon monoxide (CO), hydrogen (H2), and carbon dioxide (CO2) and (b) fast pyrolysis followed by hydrolysis and/or fermentation of the anhydrosugars found in the resulting bio-oil. This article explores this "cart before the horse" approach to biorefineries.

Application of Thermochemical Modeling to Assessment/Evaluation of Nuclear Fuel Behavior

Energy Technology Data Exchange (ETDEWEB)

Besmann, Theodore M [University of South Carolina, Columbia; McMurray, Jake W [ORNL; Simunovic, Srdjan [ORNL

2016-01-01

The combination of new fuel compositions and higher burn-ups envisioned for the future means that representing fuel properties will be much more important, and yet more complex. Behavior within the oxide fuel rods will be difficult to model owing to the high temperatures, and the large number of elements generated and their significant concentrations that are a result of fuels taken to high burn-up. This unprecedented complexity offers an enormous challenge to the thermochemical understanding of these systems and opportunities to advance solid solution models to describe these materials. This paper attempts to model and simulate that behavior using an oxide fuels thermochemical description to compute the equilibrium phase state and oxygen potential of LWR fuel under irradiation.

Biomass thermochemical conversion program: 1987 annual report

Energy Technology Data Exchange (ETDEWEB)

Schiefelbein, G.F.; Stevens, D.J.; Gerber, M.A.

1988-01-01

The objective of the Biomass Thermochemical Conversion Program is to generate a base of scientific data and conversion process information that will lead to establishment of cost-effective processes for conversion of biomass resources into clean fuels. To accomplish this objective, in fiscal year 1987 the Thermochemical Conversion Program sponsored research activities in the following four areas: Liquid Hydrocarbon Fuels Technology; Gasification Technology; Direct Combustion Technology; Program Support Activities. In this report an overview of the Thermochemical Conversion Program is presented. Specific research projects are then described. Major accomplishments for 1987 are summarized.

Biomass thermochemical conversion program. 1985 annual report

Energy Technology Data Exchange (ETDEWEB)

Schiefelbein, G.F.; Stevens, D.J.; Gerber, M.A.

1986-01-01

Wood and crop residues constitute a vast majority of the biomass feedstocks available for conversion, and thermochemical processes are well suited for conversion of these materials. The US Department of Energy (DOE) is sponsoring research on this conversion technology for renewable energy through its Biomass Thermochemical Conversion Program. The Program is part of DOE's Biofuels and Municipal Waste Technology Division, Office of Renewable Technologies. This report briefly describes the Thermochemical Conversion Program structure and summarizes the activities and major accomplishments during fiscal year 1985. 32 figs., 4 tabs.

Benzoic acid derivatives: Evaluation of thermochemical properties with complementary experimental and computational methods

International Nuclear Information System (INIS)

Verevkin, Sergey P.; Zaitsau, Dzmitry H.; Emeĺyanenko, Vladimir N.; Stepurko, Elena N.; Zherikova, Kseniya V.

2015-01-01

Highlights: • Vapor pressures of benzoic acid derivatives were measured. • Sublimation enthalpies were derived and compared with the literature. • Thermochemical data tested for consistency using additivity rules and computations. • Contradiction between available enthalpies of sublimation was resolved. • Pairwise interactions of substituents on the benzene ring were derived. - Abstract: Molar sublimation enthalpies of the methyl- and methoxybenzoic acids were derived from the transpiration method, static method, and TGA. Thermochemical data available in the literature were collected, evaluated, and combined with own experimental results. This collection together with the new experimental results reported here has helped to resolve contradictions in the available enthalpy data and to recommend sets of sublimation and formation enthalpies for the benzoic acid derivatives. Gas-phase enthalpies of formation calculated with the G4 quantum-chemical method were in agreement with the experiment. Pairwise interactions of the methyl, methoxy, and carboxyl substituents on the benzene ring were derived and used for the development of simple group-additivity procedures for estimation of the vaporization enthalpies, gas-phase, and liquid-phase enthalpies of formation of substituted benzenes.

Benzoic acid derivatives: Evaluation of thermochemical properties with complementary experimental and computational methods

Energy Technology Data Exchange (ETDEWEB)

Verevkin, Sergey P., E-mail: sergey.verevkin@uni-rostock.de [Department of Physical Chemistry and Department “Science and Technology of Life, Light and Matter”, University of Rostock, D-18059 Rostock (Germany); Department of Physical Chemistry, Kazan Federal University, 420008 Kazan (Russian Federation); Zaitsau, Dzmitry H. [Department of Physical Chemistry, Kazan Federal University, 420008 Kazan (Russian Federation); Emeĺyanenko, Vladimir N. [Department of Physical Chemistry and Department “Science and Technology of Life, Light and Matter”, University of Rostock, D-18059 Rostock (Germany); Stepurko, Elena N. [Chemistry Faculty and Research Institute for Physical Chemical Problems, Belarusian State University, 220030 Minsk (Belarus); Zherikova, Kseniya V. [Nikolaev Institute of Inorganic Chemistry of Siberian Branch of Russian Academy of Sciences, 630090 Novosibirsk (Russian Federation)

2015-12-20

Highlights: • Vapor pressures of benzoic acid derivatives were measured. • Sublimation enthalpies were derived and compared with the literature. • Thermochemical data tested for consistency using additivity rules and computations. • Contradiction between available enthalpies of sublimation was resolved. • Pairwise interactions of substituents on the benzene ring were derived. - Abstract: Molar sublimation enthalpies of the methyl- and methoxybenzoic acids were derived from the transpiration method, static method, and TGA. Thermochemical data available in the literature were collected, evaluated, and combined with own experimental results. This collection together with the new experimental results reported here has helped to resolve contradictions in the available enthalpy data and to recommend sets of sublimation and formation enthalpies for the benzoic acid derivatives. Gas-phase enthalpies of formation calculated with the G4 quantum-chemical method were in agreement with the experiment. Pairwise interactions of the methyl, methoxy, and carboxyl substituents on the benzene ring were derived and used for the development of simple group-additivity procedures for estimation of the vaporization enthalpies, gas-phase, and liquid-phase enthalpies of formation of substituted benzenes.

Bibliographic Review about Solar Hydrogen Production Through Thermochemical Cycles

International Nuclear Information System (INIS)

Fernandez Saavedra, R.

2007-01-01

This report presents a summary of the different thermical processes used to obtain hydrogen through solar energy, paying more attention to the production of hydrogen from water through thermochemical cycles. In this aspect, it is briefly described the most interesting thermochemical cycles, focusing on thermochemical cycles based on oxides. (Author) 25 refs

Revisiting dibenzothiophene thermochemical data: Experimental and computational studies

International Nuclear Information System (INIS)

Freitas, Vera L.S.; Gomes, Jose R.B.; Ribeiro da Silva, Maria D.M.C.

2009-01-01

Thermochemical data of dibenzothiophene were studied in the present work by experimental techniques and computational calculations. The standard (p 0 =0.1MPa) molar enthalpy of formation, at T = 298.15 K, in the gaseous phase, was determined from the enthalpy of combustion and sublimation, obtained by rotating bomb calorimetry in oxygen, and by Calvet microcalorimetry, respectively. This value was compared with estimated data from G3(MP2)//B3LYP computations and also with the other results available in the literature.

Development of a seasonal thermochemical storage system

NARCIS (Netherlands)

Cuypers, R.; Maraz, N.; Eversdijk, J.; Finck, C.J.; Henquet, E.M.P.; Oversloot, H.P.; Spijker, J.C. van 't; Geus, A.C. de

2012-01-01

In our laboratories, a seasonal thermochemical storage system for dwellings and offices is being designed and developed. Based on a thermochemical sorption reaction, space heating, cooling and generation of domestic hot water will be achieved with up to 100% renewable energy, by using solar energy

Assessment of a closed thermochemical energy storage using energy and exergy methods

International Nuclear Information System (INIS)

Abedin, Ali Haji; Rosen, Marc A.

2012-01-01

Highlights: ► Thermodynamics assessments are reported for a general closed thermochemical thermal energy storage system. ► Energy and exergy efficiencies of various processes in a closed thermochemical TES are evaluated and compared. ► Understanding is enhanced of thermochemical TES technologies and their potential implementations. ► Exergy analysis is observed to be useful when applied to thermochemical TES, with or in place of energy analysis. - Abstract: Thermal energy storage (TES) is an important technology for achieving more efficient and environmentally benign energy systems. Thermochemical TES is a type of TES with the potential for high energy density and is only recently being considered intensively. To improve understanding of thermochemical TES systems and their implementation, energy and exergy analyses are beneficial. Here, thermodynamics assessments are presented for a general closed thermochemical TES system, including assessments and comparisons of the efficiencies of the overall thermochemical TES cycle and its charging, storing and discharging processes. Locations and causes of thermodynamic losses in thermochemical TES systems are being specified using exergy analysis. The analytical methodology applied in this study identifies that energy and exergy efficiencies differ for thermochemical TESs, e.g. the energy efficiency for a case study is approximately 50% while the exergy efficiency is about 10%. Although the focus is to evaluate thermodynamic efficiencies, other design parameters such as cost, and environmental impact also need to be examined in assessing thermochemical storage. The efficiencies for thermochemical TES provided here should be helpful for designing these energy systems and enhancing their future prospects.

Advances in hydrogen production by thermochemical water decomposition: A review

International Nuclear Information System (INIS)

Rosen, Marc A.

2010-01-01

Hydrogen demand as an energy currency is anticipated to rise significantly in the future, with the emergence of a hydrogen economy. Hydrogen production is a key component of a hydrogen economy. Several production processes are commercially available, while others are under development including thermochemical water decomposition, which has numerous advantages over other hydrogen production processes. Recent advances in hydrogen production by thermochemical water decomposition are reviewed here. Hydrogen production from non-fossil energy sources such as nuclear and solar is emphasized, as are efforts to lower the temperatures required in thermochemical cycles so as to expand the range of potential heat supplies. Limiting efficiencies are explained and the need to apply exergy analysis is illustrated. The copper-chlorine thermochemical cycle is considered as a case study. It is concluded that developments of improved processes for hydrogen production via thermochemical water decomposition are likely to continue, thermochemical hydrogen production using such non-fossil energy will likely become commercial, and improved efficiencies are expected to be obtained with advanced methodologies like exergy analysis. Although numerous advances have been made on sulphur-iodine cycles, the copper-chlorine cycle has significant potential due to its requirement for process heat at lower temperatures than most other thermochemical processes.

Microencapsulation of salts for enhanced thermochemical storage materials

NARCIS (Netherlands)

Cuypers, R.; Jong, A.J. de; Eversdijk, J.; Spijker, J.C. van 't; Oversloot, H.P.; Ingenhut, B.L.J.; Cremers, R.K.H.; Papen-Botterhuis, N.E.

2013-01-01

Thermochemical storage is a new and emerging long-term thermal storage for residential use (cooling, heating & domestic hot water generation), offering high thermal storage density without the need for thermal insulation during storage (Fig. 1). However, existing materials for thermochemical storage

Thermal integration of SCWR nuclear and thermochemical hydrogen plants

International Nuclear Information System (INIS)

Wang, Z.; Naterer, G.F.; Gabriel, K.S.

2010-01-01

In this paper, the intermediate heat exchange between a Generation IV supercritical water-cooled nuclear reactor (SCWR) and a thermochemical hydrogen production cycle is discussed. It is found that the maximum and range of temperatures of a thermochemical cycle are the dominant parameters that affect the design of its coupling with SCWR. The copper-chlorine (Cu-Cl) thermochemical cycle is a promising cycle that can link with SCWRs. The location of extracting heat from a SCWR to a thermochemical cycle is investigated in this paper. Steam bypass lines downstream of the SCWR core are suggested for supplying heat to the Cu-Cl hydrogen production cycle. The stream extraction location is strongly dependent on the temperature requirements of the chemical steps of the thermochemical cycle. The available quantity of heat exchange at different hours of a day is also studied. It is found that the available heat at most hours of power demand in a day can support an industrial scale steam methane reforming plant if the SCWR power station is operating at full design capacity. (author)

Thermochemical transformations of anthracite fractions

Energy Technology Data Exchange (ETDEWEB)

Belkina, T.V.; Privalov, V.E.; Stepanenko, atM.A.

1979-08-01

Research on the nature of thermochemical transformations of anthracite fractions and the possibility of increasing their activity and identifying conditions for their use in the electrode pitch process is described. From research done on different anthracite fractions processed at varying temperatures it was concluded that accumulations of condensates from heating anthracite fractions occur significantly slower in comparison with pitch. As a result the electrode pitch process is prolonged. Thermal treatment of an anthracite fraction causes the formation and accumulation of condensates and promotes thermochemical transformations. Lastly, the use of thermally treated anthracite fractions apparently intensifies the electrode pitch process and improves its quality. (16 refs.) (In Russian)

Thermochemical aspects of fuel-cladding and fuel-coolant interactions in LMFBR oxide fuel pins

International Nuclear Information System (INIS)

Adamson, M.G.; Aitken, E.A.; Caputi, R.W.; Potter, P.E.; Mignanelli, M.A.

1979-01-01

This paper examines several thermochemical aspects of the fuel-cladding, fuel-coolant and fuel-fission product interactions that occur in LMFBR austenitic stainless steel-clad mixed (U,Pu)-oxide fuel pins during irradiation under normal operating conditions. Results are reported from a variety of high temperature EMF cell experiments in which continuous oxygen activity measurements on reacting and equilibrium mixtures of metal oxides and (excess) liquid alkali metal (Na, K, Cs) were performed. Oxygen potential and 0:M thresholds for Na-fuel reactions are re-evaluated in the light of new measurements and newly-assessed thermochemical data, and the influence on oxygen potential of possible U-Pu segregation between oxide and urano-plutonate (equilibrium) phases has been analyzed. (orig./RW) [de

Thermochemical investigations on uranyl phosphates and arsenates

International Nuclear Information System (INIS)

Barten, H.

1986-11-01

The results are described of a study of the thermochemical stability of anhydrous uranyl phosphates and arsenates. A number of aspects of chemical technological importance are indicated in detail. The synthesized anhydrous uranyl phosphates and arsenates were very hygroscopic, so that experiments on these compounds had to be carried out under moisture-free conditions. Further characterisation of these compounds are given, including a study of their thermal stabilities and phase relations. The uranyl phosphates reduced reversibly at temperatures of the order of 1100 to 1600 0 C. This makes it possible to express their relative stabilities quantitatively, in terms of the oxygen pressures of the reduction reactions. The thermal decomposition of uranyl arsenates did not occur by reduction, as for the phosphates, but by giving off arsenic oxide vapour. The results of measurements of enthalpies of solution led to the determination of the enthalpies of formation, heat capacity and the standard entropies of the uranyl arsenates. The thermochemical functions at high-temperatures could consequently be calculated. Attention is paid to the possible formation of uranium arsenates, whose uranium has a valency lower than six, hitherto not reported in literature. It was not possible to prepare arsenates of tetravalent uranium. However, three new compounds were observed, one of these, UAsO 5 , was studied in some detail. (Auth.)

Renewable hydrogen production via thermochemical/electrochemical coupling

Energy Technology Data Exchange (ETDEWEB)

Ambrosini, Andrea [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Babiniec, Sean Michael [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Miller, James E. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-10-01

A coupled electrochemical/thermochemical cycle was investigated to produce hydrogen from renewable resources. Like a conventional thermochemical cycle, this cycle leverages chemical energy stored in a thermochemical working material that is reduced thermally by solar energy. However, in this concept, the stored chemical energy only needs to be partially, but not fully, capable of splitting steam to produce hydrogen. To complete the process, a proton-conducting membrane is driven to separate hydrogen as it is produced, thus shifting the thermodynamics toward further hydrogen production. This novel coupled-cycle concept provides several benefits. First, the required oxidation enthalpy of the reversible thermochemical material is reduced, enabling the process to occur at lower temperatures. Second, removing the requirement for spontaneous steam-splitting widens the scope of materials compositions, allowing for less expensive/more abundant elements to be used. Lastly, thermodynamics calculations suggest that this concept can potentially reach higher efficiencies than photovoltaic-to-electrolysis hydrogen production methods. This Exploratory Express LDRD involved assessing the practical feasibility of the proposed coupled cycle. A test stand was designed and constructed and proton-conducting membranes were synthesized. While the full proof of concept was not achieved, the individual components of the experiment were validated and new capabilities that can be leveraged by a variety of programs were developed.

Capabilities to Support Thermochemical Hydrogen Production Technology Development

Energy Technology Data Exchange (ETDEWEB)

Daniel M. Ginosar

2009-05-01

This report presents the results of a study to determine if Idaho National Laboratory (INL) has the skilled staff, instrumentation, specialized equipment, and facilities required to take on work in thermochemical research, development, and demonstration currently being performed by the Nuclear Hydrogen Initiative (NHI). This study outlines the beneficial collaborations between INL and other national laboratories, universities, and industries to strengthen INL's thermochemical efforts, which should be developed to achieve the goals of the NHI in the most expeditious, cost effective manner. Taking on this work supports INL's long-term strategy to maintain leadership in thermochemical cycle development. This report suggests a logical path forward to accomplish this transition.

Preparation and thermochemical stability of uranium-zirconium-carbonitrides

International Nuclear Information System (INIS)

Kouhsen, C.

1975-08-01

This investigation deals with the preparation and the thermochemical stability of uranium-zirconium-carbonitrides as well as with the mechanism of (U,Zr) (C,N)-preparation by carbothermic reduction of uranium-zirconium-oxide. Single-phase (U,Zr) (C,N)-solid solutions with U:Zr-propertions of 3:1, 1:1, and 1:3 were prepared from oxide powder. The thermochemical stability of the (U,Zr) (C,N)-solid solutions against carbon was measured for varying Zr- and N-contents and for several temperatures; the results indicate an increase of the uranium carbide stability potential by the formation of (U,Zr) (C,N)-solid solutions. The thermodynamic properties ΔG 0 , ΔH 0 , and ΔS 0 were calculated and the correlation between the M(C,N)-lattice constant and the N-content was evaluated. Through an intensive investigation of the reaction mechanism, several different reaction paths were found; for each of them the characteristical diffusion of matter was explained by means of the microsections. It was shown that the Zr-concentration of the oxide reactant and the heating rate during the carbothermic reduction influence the species of the reaction product, especially the homogeneity of the (U,Zr) (C,N)-solid solution. (orig.) [de

System and process for producing fuel with a methane thermochemical cycle

Science.gov (United States)

Diver, Richard B.

2015-12-15

A thermochemical process and system for producing fuel are provided. The thermochemical process includes reducing an oxygenated-hydrocarbon to form an alkane and using the alkane in a reforming reaction as a reducing agent for water, a reducing agent for carbon dioxide, or a combination thereof. Another thermochemical process includes reducing a metal oxide to form a reduced metal oxide, reducing an oxygenated-hydrocarbon with the reduced metal oxide to form an alkane, and using the alkane in a reforming reaction as a reducing agent for water, a reducing agent for carbon dioxide, or a combination thereof. The system includes a reformer configured to perform a thermochemical process.

Thermochemical performance analysis of solar driven CO_2 methane reforming

International Nuclear Information System (INIS)

Fuqiang, Wang; Jianyu, Tan; Huijian, Jin; Yu, Leng

2015-01-01

Increasing CO_2 emission problems create urgent challenges for alleviating global warming, and the capture of CO_2 has become an essential field of scientific research. In this study, a finite volume method (FVM) coupled with thermochemical kinetics was developed to analyze the solar driven CO_2 methane reforming process in a metallic foam reactor. The local thermal non-equilibrium (LTNE) model coupled with radiative heat transfer was developed to provide more temperature information. A joint inversion method based on chemical process software and the FVM coupled with thermochemical kinetics was developed to obtain the thermochemical reaction parameters and guarantee the calculation accuracy. The detailed thermal and thermochemical performance in the metal foam reactor was analyzed. In addition, the effects of heat flux distribution and porosity on the solar driven CO_2 methane reforming process were analyzed. The numerical results can serve as theoretical guidance for the solar driven CO_2 methane reforming application. - Highlights: • Solar driven CO_2 methane reforming process in metal foam reactor is analyzed. • FVM with chemical reactions was developed to analyze solar CO_2 methane reforming. • A joint inversion method was developed to obtain thermochemical reaction parameters. • Results can be a guidance for the solar driven CO_2 methane reforming application.

U.S. LCI Database Project--Final Phase I Report

Energy Technology Data Exchange (ETDEWEB)

2003-08-01

This Phase I final report reviews the process and provides a plan for the execution of subsequent phases of the database project, including recommended data development priorities and a preliminary cost estimate. The ultimate goal of the project is to develop publicly available LCI Data modules for commonly used materials, products, and processes.

Thermochemical investigations on uranyl phosphates and arsenates

International Nuclear Information System (INIS)

Barten, H.

1986-01-01

Results are described of a study of the thermochemical stability of anhydrous phosphates and arsenates. The results of phase studies deal with compound formation and characterization, coexisting phases and limiting physical or chemical properties. The uranyl phosphates evolve oxygen at higher temperatures and the arsenates lose arsenic oxide vapour. These phenomena give the possibility to describe their thermodynamic stabilities. Thus oxygen pressures of uranyl phosphates have been measured using a static, non-isothermal method. Having made available the pure anhydrous compounds in the course of this investigation, molar thermodynamic quantities have been measured as well. These include standard enthalpies of formation from solution calorimetry and high-temperature heat-capacity functions derived from enthalpy increments measured. Some attention is given to compounds with uranium in valencies lower than six which have been met during the investigation. An evaluation is made of the thermodynamics of the compounds studied, to result in tabulized high-temperature thermodynamic functions. Relative stabilities within the systems are discussed and comparisons of the uranyl phosphates and the arsenates are made. (Auth.)

Data compilation and evaluation of U(IV) and U(VI) for thermodynamic reference database THEREDA

Energy Technology Data Exchange (ETDEWEB)

Richter, Anke; Bok, Frank; Brendler, Vinzenz

2015-07-01

THEREDA (Thermodynamic Reference Database) is a collaborative project, which has been addressed this challenge. The partners are Helmholtz-Zentrum Dresden-Rossendorf, Karlsruhe Institute of Technology (KIT-INE), Gesellschaft fuer Anlagen- und Reaktorsicherheit Braunschweig mbH (GRS), TU Bergakademie Freiberg (TUBAF) and AF-Consult Switzerland AG (Baden, Switzerland). The aim of the project is the establishment of a consistent and quality assured database for all safety relevant elements, temperature and pressure ranges, with its focus on saline systems. This implied the use of the Pitzer approach to compute activity coefficients suitable for such conditions. Data access is possible via commonly available internet browsers under the address http://www.thereda.de. One part of the project - the data collection and evaluation for uranium - was a task of the Helmholtz-Zentrum Dresden-Rossendorf. The aquatic chemistry and thermodynamics of U(VI) and U(IV) is of great importance for geochemical modelling in repository-relevant systems. The OECD/NEA Thermochemical Database (NEA TDB) compilation is the major source for thermodynamic data of the aqueous and solid uranium species, even though this data selection does not utilize the Pitzer model for the ionic strength effect correction. As a result of the very stringent quality demands, the NEA TDB is rather restrictive and therefore incomplete for extensive modelling calculations of real systems. Therefore, the THEREDA compilation includes additional thermodynamic data of solid secondary phases formed in the waste material, the backfill and the host rock, though falling into quality assessment (QA) categories of lower accuracy. The data review process prefers log K values from solubility experiments (if available) to those calculated from thermochemical data.

Data compilation and evaluation of U(IV) and U(VI) for thermodynamic reference database THEREDA

International Nuclear Information System (INIS)

Richter, Anke; Bok, Frank; Brendler, Vinzenz

2015-01-01

THEREDA (Thermodynamic Reference Database) is a collaborative project, which has been addressed this challenge. The partners are Helmholtz-Zentrum Dresden-Rossendorf, Karlsruhe Institute of Technology (KIT-INE), Gesellschaft fuer Anlagen- und Reaktorsicherheit Braunschweig mbH (GRS), TU Bergakademie Freiberg (TUBAF) and AF-Consult Switzerland AG (Baden, Switzerland). The aim of the project is the establishment of a consistent and quality assured database for all safety relevant elements, temperature and pressure ranges, with its focus on saline systems. This implied the use of the Pitzer approach to compute activity coefficients suitable for such conditions. Data access is possible via commonly available internet browsers under the address http://www.thereda.de. One part of the project - the data collection and evaluation for uranium - was a task of the Helmholtz-Zentrum Dresden-Rossendorf. The aquatic chemistry and thermodynamics of U(VI) and U(IV) is of great importance for geochemical modelling in repository-relevant systems. The OECD/NEA Thermochemical Database (NEA TDB) compilation is the major source for thermodynamic data of the aqueous and solid uranium species, even though this data selection does not utilize the Pitzer model for the ionic strength effect correction. As a result of the very stringent quality demands, the NEA TDB is rather restrictive and therefore incomplete for extensive modelling calculations of real systems. Therefore, the THEREDA compilation includes additional thermodynamic data of solid secondary phases formed in the waste material, the backfill and the host rock, though falling into quality assessment (QA) categories of lower accuracy. The data review process prefers log K values from solubility experiments (if available) to those calculated from thermochemical data.

The thermochemical, two-phase dynamics of subduction zones: results from new, fully coupled models

Science.gov (United States)

Rees Jones, D. W.; Katz, R. F.; May, D.; Tian, M.; Rudge, J. F.

2017-12-01

Subduction zones are responsible for most of Earth's subaerial volcanism. However, previous geodynamic modelling of subduction zones has largely neglected magmatism. We previously showed that magmatism has a significant thermal impact, by advecting sensible heat into the lithosphere beneath arc volcanos [1]. Inclusion of this effect helps reconcile subduction zone models with petrological and heat flow observations. Many important questions remain, including how magma-mantle dynamics of subduction zones affects the position of arc volcanos and the character of their lavas. In this presentation, we employ a fully coupled, thermochemical, two-phase flow theory to investigate the dynamics of subduction zones. We present the first results from our new software (SubFUSc), which solves the coupled equations governing conservation of mass, momentum, energy and chemical species. The presence and migration of partial melts affect permeability and mantle viscosity (both directly and through their thermal impact); these, in turn, feed back on the magma-mantle flow. Thus our fully coupled modelling improves upon previous two-phase models that decoupled the governing equations and fixed the thermal structure [2]. To capture phase change, we use a novel, simplified model of the mantle melting in the presence of volatile species. As in the natural system, volatiles are associated with low-degree melting at temperatures beneath the anhydrous solidus; dehydration reactions in the slab supply volatiles into the wedge, triggering silicic melting. We simulate the migration of melts under buoyancy forces and dynamic pressure gradients. We thereby demonstrate the dynamical controls on the pattern of subduction-zone volcanism (particularly its location, magnitude, and chemical composition). We build on our previous study of the thermal consequences of magma genesis and segregation. We address the question of what controls the location of arc volcanoes themselves [3]. [1] Rees Jones, D. W

OPTIMIZED WTE CONVERSION OF MUNICIPAL SOLID WASTE IN SHANGHAI APPLYING THERMOCHEMICAL TECHNOLOGIES

OpenAIRE

Dai, Siyang

2016-01-01

Thermochemical technologies have been proven effective in treating municipal solid waste (MSW) for many years. China, with a rapid increase of MSW, plans to implement more environmental friendly ways to treat MSW than landfill, which treats about 79 % of total MSW currently. The aim of this master thesis was to find out a suitable thermochemical technology to treat MSW in Shanghai, China. Several different thermochemical technologies are compared in this thesis and plasma gasification was sel...

Thermochemical Heat Storage: from Reaction Storage Density to System Storage Density

NARCIS (Netherlands)

Jong, A.J. de; Vliet, L.D. van; Hoegaerts, C.L.G.; Roelands, C.P.M.; Cuypers, R.

2016-01-01

Long-term and compact storage of solar energy is crucial for the eventual transition to a 100% renewable energy economy. For this, thermochemical materials provide a promising solution. The compactness of a long-term storage system is determined by the thermochemical reaction, operating conditions,

An approach to thermochemical modeling of nuclear waste glass

International Nuclear Information System (INIS)

Besmann, T.M.; Beahm, E.C.; Spear, K.E.

1998-01-01

This initial work is aimed at developing a basic understanding of the phase equilibria and solid solution behavior of the constituents of waste glass. Current, experimentally determined values are less than desirable since they depend on measurement of the leach rate under non-realistic conditions designed to accelerate processes that occur on a geologic time scale. The often-used assumption that the activity of a species is either unity or equal to the overall concentration of the metal can also yield misleading results. The associate species model, a recent development in thermochemical modeling, will be applied to these systems to more accurately predict chemical activities in such complex systems as waste glasses

Nicotinamides: Evaluation of thermochemical experimental properties

International Nuclear Information System (INIS)

Zhabina, Aleksandra A.; Nagrimanov, Ruslan N.; Emel’yanenko, Vladimir N.; Solomonov, Boris N.; Verevkin, Sergey P.

2016-01-01

Highlights: • Vapor pressures measured by transpiration method. • Enthalpies of solution measured using high-precision solution calorimetry. • Enthalpies of fusion measured by DSC. • Sublimation enthalpies derived from transpiration and solution calorimetry in agreement. • Experimental results evaluated and compared with G4 calculations. - Abstract: Vapor pressures of the isomeric 2-, 3-, and 4-pyridinecarboxamides were measured by using the transpiration method. The enthalpies of sublimation/vaporization of these compounds at 298.15 K were derived from vapor pressure temperature dependences. The enthalpies of solution of the isomeric pyridinecarboxamides were measured with the high-precision solution calorimetry. The enthalpies of sublimation of 3- and 4-pyridinecarboxamides were independently derived with help of the solution calorimetry based procedure. The enthalpies of fusion of the pyridinecarboxamides were measured by the DSC. Thermochemical data isomeric pyridinecarboxamides were collected, evaluated, and tested for internal consistency. The high-level G4 quantum-chemical method was used for mutual validation of the experimental and theoretical gas phase enthalpies of formation successfully.

Coupled thermochemical, isotopic evolution and heat transfer simulations in highly irradiated UO{sub 2} nuclear fuel

Energy Technology Data Exchange (ETDEWEB)

Piro, M.H.A., E-mail: markuspiro@gmail.com [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN (United States); Banfield, J. [Nuclear Engineering Department, University of Tennessee, Knoxville, TN (United States); Clarno, K.T., E-mail: clarnokt@ornl.gov [Reactor and Nuclear Systems Division, Oak Ridge National Laboratory, Oak Ridge, TN (United States); Simunovic, S. [Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, TN (United States); Besmann, T.M. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN (United States); Lewis, B.J.; Thompson, W.T. [Department of Chemistry and Chemical Engineering, Royal Military College of Canada, Kingston, ON (Canada)

2013-10-15

Predictive capabilities for simulating irradiated nuclear fuel behavior are enhanced in the current work by coupling thermochemistry, isotopic evolution and heat transfer. Thermodynamic models that are incorporated into this framework not only predict the departure from stoichiometry of UO{sub 2}, but also consider dissolved fission and activation products in the fluorite oxide phase, noble metal inclusions, secondary oxides including uranates, zirconates, molybdates and the gas phase. Thermochemical computations utilize the spatial and temporal evolution of the fission and activation product inventory in the pellet, which is typically neglected in nuclear fuel performance simulations. Isotopic computations encompass the depletion, decay and transmutation of more than 2000 isotopes that are calculated at every point in space and time. These computations take into consideration neutron flux depression and the increased production of fissile plutonium near the fuel pellet periphery (i.e., the so-called “rim effect”). Thermochemical and isotopic predictions are in very good agreement with reported experimental measurements of highly irradiated UO{sub 2} fuel with an average burnup of 102 GW d t(U){sup −1}. Simulation results demonstrate that predictions are considerably enhanced when coupling thermochemical and isotopic computations in comparison to empirical correlations. Notice: This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes.

Benchmarking the DFT+U method for thermochemical calculations of uranium molecular compounds and solids.

Science.gov (United States)

Beridze, George; Kowalski, Piotr M

2014-12-18

Ability to perform a feasible and reliable computation of thermochemical properties of chemically complex actinide-bearing materials would be of great importance for nuclear engineering. Unfortunately, density functional theory (DFT), which on many instances is the only affordable ab initio method, often fails for actinides. Among various shortcomings, it leads to the wrong estimate of enthalpies of reactions between actinide-bearing compounds, putting the applicability of the DFT approach to the modeling of thermochemical properties of actinide-bearing materials into question. Here we test the performance of DFT+U method--a computationally affordable extension of DFT that explicitly accounts for the correlations between f-electrons - for prediction of the thermochemical properties of simple uranium-bearing molecular compounds and solids. We demonstrate that the DFT+U approach significantly improves the description of reaction enthalpies for the uranium-bearing gas-phase molecular compounds and solids and the deviations from the experimental values are comparable to those obtained with much more computationally demanding methods. Good results are obtained with the Hubbard U parameter values derived using the linear response method of Cococcioni and de Gironcoli. We found that the value of Coulomb on-site repulsion, represented by the Hubbard U parameter, strongly depends on the oxidation state of uranium atom. Last, but not least, we demonstrate that the thermochemistry data can be successfully used to estimate the value of the Hubbard U parameter needed for DFT+U calculations.

Non-equilibrium thermochemical heat storage in porous media: Part 1 – Conceptual model

International Nuclear Information System (INIS)

Nagel, T.; Shao, H.; Singh, A.K.; Watanabe, N.; Roßkopf, C.; Linder, M.; Wörner, A.; Kolditz, O.

2013-01-01

Thermochemical energy storage can play an important role in the establishment of a reliable renewable energy supply and can increase the efficiency of industrial processes. The application of directly permeated reactive beds leads to strongly coupled mass and heat transport processes that also determine reaction kinetics. To advance this technology beyond the laboratory stage requires a thorough theoretical understanding of the multiphysics phenomena and their quantification on a scale relevant to engineering analyses. Here, the theoretical derivation of a macroscopic model for multicomponent compressible gas flow through a porous solid is presented along with its finite element implementation where solid–gas reactions occur and both phases have individual temperature fields. The model is embedded in the Theory of Porous Media and the derivation is based on the evaluation of the Clausius–Duhem inequality. Special emphasis is placed on the interphase coupling via mass, momentum and energy interaction terms and their effects are partially illustrated using numerical examples. Novel features of the implementation of the described model are verified via comparisons to analytical solutions. The specification, validation and application of the full model to a calcium hydroxide/calcium oxide based thermochemical storage system are the subject of part 2 of this study. - Highlights: • Rigorous application of the Theory of Porous Media and the 2nd law of thermodynamics. • Thermodynamically consistent model for thermochemical heat storage systems. • Multicomponent gas; modified Fick's and Darcy's law; thermal non-equilibrium; solid–gas reactions. • Clear distinction between source and production terms. • Open source finite element implementation and benchmarks

Thermochemical nitrate reduction

International Nuclear Information System (INIS)

Cox, J.L.; Lilga, M.A.; Hallen, R.T.

1992-09-01

A series of preliminary experiments was conducted directed at thermochemically converting nitrate to nitrogen and water. Nitrates are a major constituent of the waste stored in the underground tanks on the Hanford Site, and the characteristics and effects of nitrate compounds on stabilization techniques must be considered before permanent disposal operations begin. For the thermochemical reduction experiments, six reducing agents (ammonia, formate, urea, glucose, methane, and hydrogen) were mixed separately with ∼3 wt% NO 3 - solutions in a buffered aqueous solution at high pH (13); ammonia and formate were also mixed at low pH (4). Reactions were conducted in an aqueous solution in a batch reactor at temperatures of 200 degrees C to 350 degrees C and pressures of 600 to 2800 psig. Both gas and liquid samples were analyzed. The specific components analyzed were nitrate, nitrite, nitrous oxide, nitrogen, and ammonia. Results of experimental runs showed the following order of nitrate reduction of the six reducing agents in basic solution: formate > glucose > urea > hydrogen > ammonia ∼ methane. Airnmonia was more effective under acidic conditions than basic conditions. Formate was also effective under acidic conditions. A more thorough, fundamental study appears warranted to provide additional data on the mechanism of nitrate reduction. Furthermore, an expanded data base and engineering feasibility study could be used to evaluate conversion conditions for promising reducing agents in more detail and identify new reducing agents with improved performance characteristics

2009 Thermochemical Conversion Platform Review Report

Energy Technology Data Exchange (ETDEWEB)

Ferrell, John [Office of Energy Efficiency and Renewable Energy (EERE), Washington, DC (United States)

2009-12-01

This document summarizes the recommendations and evaluations provided by an independent external panel of experts at the U.S. Department of Energy Biomass Program’s Thermochemical Conversion platform review meeting, held on April 14-16, 2009, at the Sheraton Denver Downtown, Denver, Colorado.

The development of technical database of advanced spent fuel management process

Energy Technology Data Exchange (ETDEWEB)

Ro, Seung Gy; Byeon, Kee Hoh; Song, Dae Yong; Park, Seong Won; Shin, Young Jun

1999-03-01

The purpose of this study is to develop the technical database system to provide useful information to researchers who study on the back end nuclear fuel cycle. Technical database of advanced spent fuel management process was developed for a prototype system in 1997. In 1998, this database system is improved into multi-user systems and appended special database which is composed of thermochemical formation data and reaction data. In this report, the detailed specification of our system design is described and the operating methods are illustrated as a user's manual. Also, expanding current system, or interfacing between this system and other system, this report is very useful as a reference. (Author). 10 refs., 18 tabs., 46 fig.

The development of technical database of advanced spent fuel management process

International Nuclear Information System (INIS)

Ro, Seung Gy; Byeon, Kee Hoh; Song, Dae Yong; Park, Seong Won; Shin, Young Jun

1999-03-01

The purpose of this study is to develop the technical database system to provide useful information to researchers who study on the back end nuclear fuel cycle. Technical database of advanced spent fuel management process was developed for a prototype system in 1997. In 1998, this database system is improved into multi-user systems and appended special database which is composed of thermochemical formation data and reaction data. In this report, the detailed specification of our system design is described and the operating methods are illustrated as a user's manual. Also, expanding current system, or interfacing between this system and other system, this report is very useful as a reference. (Author). 10 refs., 18 tabs., 46 fig

Nuclear Production of Hydrogen Using Thermochemical Water-Splitting Cycles

International Nuclear Information System (INIS)

Brown, L.C.; Besenbruch, G.E.; Schultz, K.R.; Marshall, A.C.; Showalter, S.K.; Pickard, P.S.; Funk, J.F.

2002-01-01

The purpose of this work is to determine the potential for efficient, cost-effective, large-scale production of hydrogen utilizing high-temperature heat from an advanced nuclear power station in a thermochemical water-splitting cycle. We carried out a detailed literature search to create a searchable database with 115 cycles and 822 references. We developed screening criteria to reduce the list to 25 cycles. We used detailed evaluation to select two cycles that appear most promising, the Adiabatic UT-3 cycle and the Sulfur-Iodine cycle. We have selected the Sulfur-Iodine thermochemical water-splitting cycle for further development. We then assessed the suitability of various nuclear reactor types to the production of hydrogen from water using the Sulfur-Iodine cycle. A basic requirement is to deliver heat to the process interface heat exchanger at temperatures up to 900 deg. C. We considered nine categories of reactors: pressurized water-cooled, boiling water-cooled, organic-cooled, alkali metal-cooled, heavy metal-cooled, gas-cooled, molten salt-cooled, liquid-core and gas-core reactors. We developed requirements and criteria to carry out the assessment, considering design, safety, operational, economic and development issues. This assessment process led to our choice of the helium gas-cooled reactor for coupling to the Sulfur-Iodine cycle. In continuing work, we are investigating the improvements that have been proposed to the Sulfur-Iodine cycle and will generate an integrated flowsheet describing a hydrogen production plant powered by a high-temperature helium gas-cooled nuclear reactor. This will allow us to size process equipment and calculate hydrogen production efficiency and capital cost, and to estimate the cost of the hydrogen produced as a function of nuclear reactor cost. (authors)

Review of the direct thermochemical conversion of lignocellulosic biomass for liquid fuels

Directory of Open Access Journals (Sweden)

Jianchun JIANG,Junming XU,Zhanqian SONG

2015-03-01

Full Text Available Increased demand for liquid transportation fuels, environmental concerns and depletion of petroleum resources requires the development of efficient conversion technologies for production of second-generation biofuels from non-food resources. Thermochemical approaches hold great potential for conversion of lignocellulosic biomass into liquid fuels. Direct thermochemical processes convert biomass into liquid fuels in one step using heat and catalysts and have many advantages over indirect and biological processes, such as greater feedstock flexibility, integrated conversion of whole biomass, and lower operation costs. Several direct thermochemical processes are employed in the production of liquid biofuels depending on the nature of the feedstock properties: such as fast pyrolysis/liquefaction of lignocellulosic biomass for bio-oil, including upgrading methods, such as catalytic cracking and hydrogenation. Owing to the substantial amount of liquid fuels consumed by vehicular transport, converting biomass into drop-in liquid fuels may reduce the dependence of the fuel market on petroleum-based fuel products. In this review, we also summarize recent progress in technologies for large-scale equipment for direct thermochemical conversion. We focus on the technical aspects critical to commercialization of the technologies for production of liquid fuels from biomass, including feedstock type, cracking catalysts, catalytic cracking mechanisms, catalytic reactors, and biofuel properties. We also discuss future prospects for direct thermochemical conversion in biorefineries for the production of high grade biofuels.

Sulfur Based Thermochemical Heat Storage for Baseload Concentrated Solar Power Generation

Energy Technology Data Exchange (ETDEWEB)

Wong, Bunsen [General Atomics, San Diego, CA (United States)

2014-11-01

This project investigates the engineering and economic feasibility of supplying baseload power using a concentrating solar power (CSP) plant integrated with sulfur based thermochemical heat storage. The technology stores high temperature solar heat in the chemical bonds of elemental sulfur. Energy is recovered as high temperature heat upon sulfur combustion. Extensive developmental and design work associated with sulfur dioxide (SO₂) disproportionation and sulfuric acid (H₂SO₄) decomposition chemical reactions used in this technology had been carried out in the two completed phases of this project. The feasibility and economics of the proposed concept was demonstrated and determined.

Performance analysis of a photovoltaic-thermochemical hybrid system prototype

International Nuclear Information System (INIS)

Li, Wenjia; Ling, Yunyi; Liu, Xiangxin; Hao, Yong

2017-01-01

Highlights: •A modular photovoltaic-thermochemical hybrid system prototype is proposed. •Net solar-electric efficiency up to 41% is achievable. •Stable solar power supply is achievable via convenient energy storage. •The modular design facilitates the scalability of the hybrid system. -- Abstract: A solar photovoltaic (PV) thermochemical hybrid system consisting of a point-focus Fresnel concentrator, a PV cell and a methanol thermochemical reactor is proposed. In particular, a reactor capable of operating under high solar concentration is designed, manufactured and tested. Studies on both kinetic and thermodynamic characteristics of the reactor and the system are performed. Analysis of numerical and experimental results shows that with cascaded solar energy utilization and synergy among different forms of energy, the hybrid system has the advantages of high net solar-electric efficiency (up to 41%), stable solar energy power supply, solar energy storage (via syngas) and flexibility in application scale. The hybrid system proposed in this work provides a potential solution to some key challenges of current solar energy utilization technologies.

Experimental study of a thermochemical compressor for an absorption/compression hybrid cycle

International Nuclear Information System (INIS)

Ventas, R.; Vereda, C.; Lecuona, A.; Venegas, M.

2012-01-01

Highlights: ► Experimental study of a thermochemical compressor for absorption/compression cycle. ► Spray adiabatic absorber using NH 3 –LiNO 3 solution working fluid. ► It is able to operate between 57 and 110 °C varying concentration between 0.46 and 0.59. ► The increase of absorber pressure decreases the circulation ratio. ► The numerical model performed agrees with the experimental results. -- Abstract: An experimental study of a thermochemical compressor with ammonia–lithium nitrate solution as working fluid has been carried out. This compressor incorporates a single-pass adiabatic absorber and all the heat exchangers are of the plate type: absorber subcooler, generator and solution heat exchanger. The thermochemical compressor has been studied as part of a single-effect absorption chiller hybridized with an in-series low-pressure compression booster. The adiabatic absorber uses fog jet injectors. The generator hot water temperatures for the external driving flow are in the range of 57–110 °C and the absorber pressures range between 429 and 945 kPa. Experimental results are compared with a numerical model showing a high agreement. The performance of the thermochemical compressor, evaluated through the circulation ratio, improves for higher absorber pressures, indicating the potential of pressure boosting. For the same circulation ratio, the driving hot water inlet temperature decreases with the rise of the absorber pressure. The thermochemical compressor, based on an adiabatic absorber, can produce refrigerant with very low driving temperatures, between 57 and 70 °C, what is interesting for solar cooling applications and very low temperature residual heat recovery. Efficiencies and cooling power are offered when this hybrid thermochemical compressor is implemented in a chiller, showing the effect of different operating parameters.

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

International Nuclear Information System (INIS)

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

2016-01-01

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

Thermochemical biorefinery based on dimethyl ether as intermediate: Technoeconomic assessment

International Nuclear Information System (INIS)

Haro, P.; Ollero, P.; Villanueva Perales, A.L.; Gómez-Barea, A.

2013-01-01

Highlights: ► A thermochemical biorefinery based on bio-DME as intermediate is studied. ► The assessed concepts (12) lead to multi-product generation (polygeneration). ► In all concepts DME is converted by carbonylation or hydrocarbonylation. ► Rates of return are similar to or higher than plants producing a single product. -- Abstract: Thermochemical biorefinery based on dimethyl ether (DME) as an intermediate is studied. DME is converted into methyl acetate, which can either be hydrogenated to ethanol or sold as a co-product. Considering this option together with a variety of technologies for syngas upgrading, 12 different process concepts are analyzed. The considered products are ethanol, methyl acetate, H 2 , DME and electricity. The assessment of each alternative includes biomass pretreatment, gasification, syngas clean-up and conditioning, DME synthesis and conversion, product separation, and heat and power integration. A plant size of 500 MW th processing poplar chips is taken as a basis. The resulting energy efficiency to products ranges from 34.9% to 50.2%. The largest internal rate of return (28.74%) corresponds to a concept which produces methyl acetate, DME and electricity (exported to grid). A sensitivity analysis with respect to total plant investment (TPI), total operation costs (TOC) and market price of products was carried out. The overall conclusion is that, despite its greater complexity, this kind of thermochemical biorefinery is more profitable than thermochemical bioprocesses oriented to a single product.

Thermochemical stability of Soviet macroporous sulfonated cation-exchangers

Energy Technology Data Exchange (ETDEWEB)

Rukhlyada, N.N.; Plotnikova, V.P.; Roginskaya, B.S.; Znamenskii, Yu.P.; Zavodovskaya, A.S.; Dobrova, E.I.

1988-10-20

The purpose of this work was to study the influence of macroporosity on the thermochemical stability of sulfonated cation-exchangers. The investigations were carried out on commercial macroporous sulfonated cation-exchangers based on styrene-divinylbenzene copolymers. Study of the thermochemical stability of macroporous sulfonated cation-exchangers in dilute hydrogen peroxide solutions showed that the type of macroporosity has virtually no influence on their stability. The determining factor in thermal stability of macroporous cation-exchangers, as of the gel type, is the degree of cross-linking of the polymer matrix. The capacity loss of macroporous cation-exchangers during oxidative thermolysis is caused by destruction of the macromolecular skeleton and elution of fragments of polar chains containing sulfo groups into the solution.

Quantitative Thermochemical Measurements in High-Pressure Gaseous Combustion

Science.gov (United States)

Kojima, Jun J.; Fischer, David G.

2012-01-01

We present our strategic experiment and thermochemical analyses on combustion flow using a subframe burst gating (SBG) Raman spectroscopy. This unconventional laser diagnostic technique has promising ability to enhance accuracy of the quantitative scalar measurements in a point-wise single-shot fashion. In the presentation, we briefly describe an experimental methodology that generates transferable calibration standard for the routine implementation of the diagnostics in hydrocarbon flames. The diagnostic technology was applied to simultaneous measurements of temperature and chemical species in a swirl-stabilized turbulent flame with gaseous methane fuel at elevated pressure (17 atm). Statistical analyses of the space-/time-resolved thermochemical data provide insights into the nature of the mixing process and it impact on the subsequent combustion process in the model combustor.

Interest of thermochemical data bases linked to complex equilibria calculation codes for practical applications

International Nuclear Information System (INIS)

Cenerino, G.; Marbeuf, A.; Vahlas, C.

1992-01-01

Since 1974, Thermodata has been working on developing an Integrated Information System in Inorganic Chemistry. A major effort was carried on the thermochemical data assessment of both pure substances and multicomponent solution phases. The available data bases are connected to powerful calculation codes (GEMINI = Gibbs Energy Minimizer), which allow to determine the thermodynamical equilibrium state in multicomponent systems. The high interest of such an approach is illustrated by recent applications in as various fields as semi-conductors, chemical vapor deposition, hard alloys and nuclear safety. (author). 26 refs., 6 figs

Effects of thermo-chemical pre-treatment on anaerobic biodegradability and hydrolysis of lignocellulosic biomass

NARCIS (Netherlands)

Fernandes, T.; Klaasse Bos, G.J.; Zeeman, G.; Sanders, J.P.M.; Lier, van J.B.

2009-01-01

The effects of different thermo-chemical pre-treatment methods were determined on the biodegradability and hydrolysis rate of lignocellulosic biomass. Three plant species, hay, straw and bracken were thermo-chemically pre-treated with calcium hydroxide, ammonium carbonate and maleic acid. After

2011 Biomass Program Platform Peer Review. Thermochemical Conversion

Energy Technology Data Exchange (ETDEWEB)

Grabowski, Paul E. [Office of Energy Efficiency and Renewable Energy (EERE), Washington, DC (United States)

2012-02-01

This document summarizes the recommendations and evaluations provided by an independent external panel of experts at the 2011 U.S. Department of Energy Biomass Program’s Thermochemical Conversion Platform Review meeting.

Analysis of Efficiency of the Ship Propulsion System with Thermochemical Recuperation of Waste Heat

Science.gov (United States)

Cherednichenko, Oleksandr; Serbin, Serhiy

2018-03-01

One of the basic ways to reduce polluting emissions of ship power plants is application of innovative devices for on-board energy generation by means of secondary energy resources. The combined gas turbine and diesel engine plant with thermochemical recuperation of the heat of secondary energy resources has been considered. It is suggested to conduct the study with the help of mathematical modeling methods. The model takes into account basic physical correlations, material and thermal balances, phase equilibrium, and heat and mass transfer processes. The paper provides the results of mathematical modeling of the processes in a gas turbine and diesel engine power plant with thermochemical recuperation of the gas turbine exhaust gas heat by converting a hydrocarbon fuel. In such a plant, it is possible to reduce the specific fuel consumption of the diesel engine by 20%. The waste heat potential in a gas turbine can provide efficient hydrocarbon fuel conversion at the ratio of powers of the diesel and gas turbine engines being up to 6. When the diesel engine and gas turbine operate simultaneously with the use of the LNG vapor conversion products, the efficiency coefficient of the plant increases by 4-5%.

Hydrogen production at <550 C using a low temperature thermochemical cycle

International Nuclear Information System (INIS)

Lewis, M.A.; Serban, M.; Basco, J.K.

2004-01-01

A Department of Energy goal is to identify new technologies for producing hydrogen cost effectively without greenhouse gas emissions. Thermochemical cycles are one of the potential options under investigation. Thermochemical cycles consist of a series of reactions in which water is thermally decomposed and all other chemicals are recycled. Only heat and water are consumed. However, most thermochemical cycles require process heat at temperatures of 850-900 deg C. Argonne National Laboratory is developing low temperature cycles designed for lower temperature heat, 500-550 deg C, which is more readily available. For this temperature region, copper-chlorine (Cu-Cl) cycles are the most promising cycle. Several Cu-Cl cycles have been examined in the laboratory and the most promising cycle has been identified. Proof-of-principle experiments are nearly complete. A preliminary assessment of cycle efficiency is promising. Details of the experiments and efficiency calculations are discussed. (author)

Phase-space database for external beam radiotherapy. Summary report of a consultants' meeting

International Nuclear Information System (INIS)

Capote, R.; Jeraj, R.; Ma, C.M.; Rogers, D.W.O.; Sanchez-Doblado, F.; Sempau, J.; Seuntjens, J.; Siebers, J.V.

2006-01-01

A summary is given of a Consultants' Meeting assembled to discuss and recommend actions and activities to prepare a Phase-space Database for External Beam Radiotherapy. The new database should serve to disseminate phase-space data of those accelerators and 60 Co units used in radiotherapy through the compilation of existing data that have been properly validated. Both the technical discussions and the resulting work plan are described, along with the detailed recommendations for implementation. The meeting was jointly organized by NAPC-Nuclear Data Section and NAHU-Dosimetry and Medical Radiation Physics Section. (author)

Numerical investigation of a straw combustion boiler – Part I: Modelling of the thermo-chemical conversion of straw

Directory of Open Access Journals (Sweden)

Dernbecher Andrea

2016-01-01

Full Text Available In the framework of a European project, a straw combustion boiler in conjunction with an organic Rankine cycle is developed. One objective of the project is the enhancement of the combustion chamber by numerical methods. A comprehensive simulation of the combustion chamber is prepared, which contains the necessary submodels for the thermo-chemical conversion of straw and for the homogeneous gas phase reactions. Part I introduces the modelling approach for the thermal decomposition of the biomass inside the fuel bed, whereas part II deals with the simulation of the gas phase reactions in the freeboard.

TEA: A CODE CALCULATING THERMOCHEMICAL EQUILIBRIUM ABUNDANCES

Energy Technology Data Exchange (ETDEWEB)

Blecic, Jasmina; Harrington, Joseph; Bowman, M. Oliver, E-mail: jasmina@physics.ucf.edu [Planetary Sciences Group, Department of Physics, University of Central Florida, Orlando, FL 32816-2385 (United States)

2016-07-01

We present an open-source Thermochemical Equilibrium Abundances (TEA) code that calculates the abundances of gaseous molecular species. The code is based on the methodology of White et al. and Eriksson. It applies Gibbs free-energy minimization using an iterative, Lagrangian optimization scheme. Given elemental abundances, TEA calculates molecular abundances for a particular temperature and pressure or a list of temperature–pressure pairs. We tested the code against the method of Burrows and Sharp, the free thermochemical equilibrium code Chemical Equilibrium with Applications (CEA), and the example given by Burrows and Sharp. Using their thermodynamic data, TEA reproduces their final abundances, but with higher precision. We also applied the TEA abundance calculations to models of several hot-Jupiter exoplanets, producing expected results. TEA is written in Python in a modular format. There is a start guide, a user manual, and a code document in addition to this theory paper. TEA is available under a reproducible-research, open-source license via https://github.com/dzesmin/TEA.

TEA: A CODE CALCULATING THERMOCHEMICAL EQUILIBRIUM ABUNDANCES

International Nuclear Information System (INIS)

Blecic, Jasmina; Harrington, Joseph; Bowman, M. Oliver

2016-01-01

We present an open-source Thermochemical Equilibrium Abundances (TEA) code that calculates the abundances of gaseous molecular species. The code is based on the methodology of White et al. and Eriksson. It applies Gibbs free-energy minimization using an iterative, Lagrangian optimization scheme. Given elemental abundances, TEA calculates molecular abundances for a particular temperature and pressure or a list of temperature–pressure pairs. We tested the code against the method of Burrows and Sharp, the free thermochemical equilibrium code Chemical Equilibrium with Applications (CEA), and the example given by Burrows and Sharp. Using their thermodynamic data, TEA reproduces their final abundances, but with higher precision. We also applied the TEA abundance calculations to models of several hot-Jupiter exoplanets, producing expected results. TEA is written in Python in a modular format. There is a start guide, a user manual, and a code document in addition to this theory paper. TEA is available under a reproducible-research, open-source license via https://github.com/dzesmin/TEA.

Thermochemical parameters of caffeine, theophylline, and xanthine

Energy Technology Data Exchange (ETDEWEB)

Ngo Tuan Cuong; Truong Ba Tai [Department of Chemistry, and Mathematical Modeling and Computational Science Center (LMCC), Katholieke Universiteit Leuven, B-3001 Leuven (Belgium); Vu Thi Thu Ha [Institute of Chemistry, Vietnam Academy of Science and Technology, Hanoi (Viet Nam); Minh Tho Nguyen, E-mail: minh.nguyen@chem.kuleuven.b [Department of Chemistry, and Mathematical Modeling and Computational Science Center (LMCC), Katholieke Universiteit Leuven, B-3001 Leuven (Belgium)

2010-04-15

Thermochemical parameters of caffeine 1, theophylline 2, xanthine 3, uracil, and imidazole derivatives are determined by quantum chemical calculations. Using the composite G3B3 method, the standard heat of formation of caffeine in the gaseous phase amounts to DELTA{sub f}H{sub g}{sup 0}(1)=-243+-8kJ.mol{sup -1}, which lends a support for the recent experimental value of -237.0 +- 2.5 kcal . mol{sup -1}. We also obtain DELTA{sub f}H{sub g}{sup 0}(2)=-232+-8kJ.mol{sup -1}andDELTA{sub f}H{sub g}{sup 0}(3)=-209+-8kJ.mol{sup -1}. The adiabatic ionization energies are IE{sub a}(1) = 7.9 eV, IE{sub a}(2) = 8.1 eV, and IE{sub a}(3) = 8.5 eV using B3LYP calculations. The enhanced ability of caffeine to eject electron, as compared to the parent compounds and cyclic components, is of interest with regard to its potential use as a corrosion inhibitor.

Thermochemical treatment of the pay zone in the well RK-3

Energy Technology Data Exchange (ETDEWEB)

Labudovic, V

1970-02-01

The elements are given for the calculation of the thermochemical treatment of the Well RK-3. From the diagram, the Mg and HCl reaction velocity vs. pressure and the temperature vs. the quantity of the reacted CaCO/sub 3/ can be read out. These are important elements for the calculation of a thermochemical treatment. A comparison of calculated and measured temperatures and the factors influencing the heat conductivity of the formation rock is given. The heating range at formation depths is calculated. The relation quantity of warm acid vs. injection pressure also is given.

The coupling of thermochemistry and phase diagrams for group III-V semiconductor systems. Final report

Energy Technology Data Exchange (ETDEWEB)

Anderson, T.J.

1998-07-21

The project was directed at linking the thermochemical properties of III-V compound semiconductors systems with the reported phase diagrams. The solid-liquid phase equilibrium problem was formulated and three approaches to calculating the reduced standard state chemical potential were identified and values were calculated. In addition, thermochemical values for critical properties were measured using solid state electrochemical techniques. These values, along with the standard state chemical potentials and other available thermochemical and phase diagram data, were combined with a critical assessment of selected III-V systems. This work was culminated with a comprehensive assessment of all the III-V binary systems. A novel aspect of the experimental part of this project was the demonstration of the use of a liquid encapsulate to measure component activities by a solid state emf technique in liquid III-V systems that exhibit high vapor pressures at the measurement temperature.

Effects of key factors on solar aided methane steam reforming in porous medium thermochemical reactor

International Nuclear Information System (INIS)

Wang, Fuqiang; Tan, Jianyu; Ma, Lanxin; Leng, Yu

2015-01-01

Highlights: • Effects of key factors on chemical reaction for solar methane reforming are studied. • MCRT and FVM method coupled with UDFs is used to establish numerical model. • Heat and mass transfer model coupled with thermochemical reaction is established. • LTNE model coupled with P1 approximation is used for porous matrix solar reactor. • A formula between H 2 production and conductivity of porous matrix is put forward. - Abstract: With the aid of solar energy, methane reforming process can save up to 20% of the total methane consumption. Monte Carlo Ray Tracing (MCRT) method and Finite Volume Method (FVM) combined method are developed to establish the heat and mass transfer model coupled with thermochemical reaction kinetics for porous medium solar thermochemical reactor. In order to provide more temperature information, local thermal non-equilibrium (LTNE) model coupled with P1 approximation is established to investigate the thermal performance of porous medium solar thermochemical reaction. Effects of radiative heat loss and thermal conductivity of porous matrix on temperature distribution and thermochemical reaction for solar driven steam methane reforming process are numerically studied. Besides, the relationship between hydrogen production and thermal conductivity of porous matrix are analyzed. The results illustrate that hydrogen production shows a 3 order polynomial relation with thermal conductivity of porous matrix

Study of the hydrolysis reaction of the copper-chloride hybrid thermochemical cycle using optical spectrometries

International Nuclear Information System (INIS)

Doizi, D.; Borgard, J.M.; Dauvois, V.; Roujou, J.L.; Zanella, Y.; Croize, L.; Cartes, Ph.; Hartmann, J.M.

2010-01-01

The copper-chloride hybrid thermochemical cycle is one of the best potential low temperature thermochemical cycles for the massive production of hydrogen. It could be used with nuclear reactors such as the sodium fast reactor or the supercritical water reactor. Nevertheless, this thermochemical cycle is composed of an electrochemical reaction and two thermal reactions. Its efficiency has to be compared with other hydrogen production processes like alkaline electrolysis for example. The purpose of this article is to study the viability of the copper chloride thermochemical cycle by studying the hydrolysis reaction of CuCl 2 which is not favoured thermodynamically. To better understand the occurrence of possible side reactions, together with a good control of the kinetics of the hydrolysis reaction, the use of optical absorption spectrometries, UV visible spectrometry to detect molecular chlorine which may be formed in side reactions, FTIR spectrometry to follow the concentrations of H 2 O and HCl is proposed. (authors)

New applications with time-dependent thermochemical simulation

Energy Technology Data Exchange (ETDEWEB)

Koukkari, P. [VTT Chemical Technology, Espoo (Finland); Laukkanen, L. [VTT Automation, Espoo (Finland); Penttilae, K. [Kemira Engineering Oy, Helsinki (Finland)

1996-12-31

A new method (RATEMIX) to calculate multicomponent chemical reaction mixtures as a series of sequential thermochemical states was recently introduced. The procedure combines multicomponent thermodynamics with chemical kinetics and may be used to simulate the multicomponent reactors as a thermochemical natural process. The method combines the desired reaction rates sequentially with constrained Gibbs energy minimization. The reactant concentrations are determined by the experimental (Arrhenius) rate laws. During the course of the given reaction the subsequent side reactions are supposed to occur reversibly. At every sequential stage of the given reaction the temperature and composition of the reaction mixture are calculated by a thermodynamic subroutine, which minimizes the Gibbs energy of the system and takes into account the heat transfer between the system and its surroundings. The extents of reaction are included as algorithmic constraints in the Gibbs energy minimization procedure. Initially, the reactants are introduced to the system as inert copies to match both the mass and energy balance of the reactive system. During the calculation the copies are sequentially interchanged to the actual reactants which allows one to simulate the time-dependent reaction route by using the thermochemical procedure. For each intermediate stage, the temperature and composition are calculated and as well numerical estimates of the thermodynamic functions are obtained. The method is applicable in processes where the core thermodynamic and kinetic data of the system are known and the time-dependent heat transfer data can either be measured or estimated by calculation. The method has been used to simulate e.g. high temperature flame reactions, zinc vapour oxidation and a counter-current rotary drum with chemical reactions. The procedure has today been tested with SOLGASMIX, CHEMSAGE and HSC programs. (author)

New applications with time-dependent thermochemical simulation

Energy Technology Data Exchange (ETDEWEB)

Koukkari, P [VTT Chemical Technology, Espoo (Finland); Laukkanen, L [VTT Automation, Espoo (Finland); Penttilae, K [Kemira Engineering Oy, Helsinki (Finland)

1997-12-31

A new method (RATEMIX) to calculate multicomponent chemical reaction mixtures as a series of sequential thermochemical states was recently introduced. The procedure combines multicomponent thermodynamics with chemical kinetics and may be used to simulate the multicomponent reactors as a thermochemical natural process. The method combines the desired reaction rates sequentially with constrained Gibbs energy minimization. The reactant concentrations are determined by the experimental (Arrhenius) rate laws. During the course of the given reaction the subsequent side reactions are supposed to occur reversibly. At every sequential stage of the given reaction the temperature and composition of the reaction mixture are calculated by a thermodynamic subroutine, which minimizes the Gibbs energy of the system and takes into account the heat transfer between the system and its surroundings. The extents of reaction are included as algorithmic constraints in the Gibbs energy minimization procedure. Initially, the reactants are introduced to the system as inert copies to match both the mass and energy balance of the reactive system. During the calculation the copies are sequentially interchanged to the actual reactants which allows one to simulate the time-dependent reaction route by using the thermochemical procedure. For each intermediate stage, the temperature and composition are calculated and as well numerical estimates of the thermodynamic functions are obtained. The method is applicable in processes where the core thermodynamic and kinetic data of the system are known and the time-dependent heat transfer data can either be measured or estimated by calculation. The method has been used to simulate e.g. high temperature flame reactions, zinc vapour oxidation and a counter-current rotary drum with chemical reactions. The procedure has today been tested with SOLGASMIX, CHEMSAGE and HSC programs. (author)

Evaluation of chemical, thermobaric and thermochemical pre-treatment on anaerobic digestion of high-fat cattle slaughterhouse waste.

Science.gov (United States)

Harris, Peter W; Schmidt, Thomas; McCabe, Bernadette K

2017-11-01

This work aimed to enhance the anaerobic digestion of fat-rich dissolved air flotation (DAF) sludge through chemical, thermobaric, and thermochemical pre-treatment methods. Soluble chemical oxygen demand was enhanced from 16.3% in the control to 20.84% (thermobaric), 40.82% (chemical), and 50.7% (thermochemical). Pre-treatment altered volatile fatty acid concentration by -64% (thermobaric), 127% (chemical) and 228% (thermochemical). Early inhibition was reduced by 20% in the thermochemical group, and 100% in the thermobaric group. Specific methane production was enhanced by 3.28% (chemical), 8.32% (thermobaric), and 8.49% (thermochemical) as a result of pre-treatment. Under batch digestion, thermobaric pre-treatment demonstrated the greatest improvement in methane yield with respect to degree of pre-treatment applied. Thermobaric pre-treatment was also the most viable for implementation at slaughterhouses, with potential for heat-exchange to reduce pre-treatment cost. Further investigation into long-term impact of pre-treatments in semi-continuous digestion experiments will provide additional evaluation of appropriate pre-treatment options for high-fat slaughterhouse wastewater. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

Prototype thermochemical heat storage with open reactor system

NARCIS (Netherlands)

Zondag, H.A.; Kikkert, B.; Smeding, S.F.; Boer, de R.; Bakker, M.

2013-01-01

Thermochemical (TC) heat storage is an interesting technology for future seasonal storage of solar heat in the built environment. This technology enables high thermal energy storage densities and low energy storage losses. A small-scale laboratory prototype TC storage system has been realized at

A systematic multi-step screening of numerous salt hydrates for low temperature thermochemical energy storage

International Nuclear Information System (INIS)

N’Tsoukpoe, Kokouvi Edem; Schmidt, Thomas; Rammelberg, Holger Urs; Watts, Beatriz Amanda; Ruck, Wolfgang K.L.

2014-01-01

Highlights: • We report an evaluation of the potential of salt hydrates for thermochemical storage. • Both theoretical calculations and experimental measurements using TGA/DSC are used. • Salt hydrates offer very low potential for thermochemical heat storage. • The efficiency of classical processes using salt hydrates is very low: typically 25%. • New processes are needed for the use of salt hydrates in thermochemical heat storage. - Abstract: In this paper, the potential energy storage density and the storage efficiency of salt hydrates as thermochemical storage materials for the storage of heat generated by a micro-combined heat and power (micro-CHP) have been assessed. Because salt hydrates used in various thermochemical heat storage processes fail to meet the expectations, a systematic evaluation of the suitability of 125 salt hydrates has been performed in a three-step approach. In the first step general issues such as toxicity and risk of explosion have been considered. In the second and third steps, the authors implement a combined approach consisting of theoretical calculations and experimental measurements using Thermogravimetric Analysis (TGA). Thus, application-oriented comparison criteria, among which the net energy storage density of the material and the thermal efficiency, have been used to evaluate the potential of 45 preselected salt hydrates for a low temperature thermochemical heat storage application. For an application that requires a discharging temperature above 60 °C, SrBr 2 ·6H 2 O and LaCl 3 ·7H 2 O appear to be the most promising, only from thermodynamic point of view. However, the maximum net energy storage density including the water in the water storage tank that they offer (respectively 133 kW h m −3 and 89 kW h m −3 ) for a classical thermochemical heat storage process are not attractive for the intended application. Furthermore, the thermal efficiency that would result from the storage process based on salt hydrates

The NREL Biochemical and Thermochemical Ethanol Conversion Processes: Financial and Environmental Analysis Comparison

Directory of Open Access Journals (Sweden)

Jesse Sky Daystar

2015-07-01

Full Text Available The financial and environmental performance of the National Renewable Energy Lab’s (NREL thermochemical and biochemical biofuel conversion processes are examined herein with pine, eucalyptus, unmanaged hardwood, switchgrass, and sweet sorghum. The environmental impacts of the process scenarios were determined by quantifying greenhouse gas (GHG emissions and TRACI impacts. Integrated financial and environmental performance metrics were introduced and used to examine the biofuel production scenarios. The thermochemical and biochemical conversion processes produced the highest financial performance and lowest environmental impacts when paired with pine and sweet sorghum, respectively. The high ash content of switchgrass and high lignin content of loblolly pine lowered conversion yields, resulting in the highest environmental impacts and lowest financial performance for the thermochemical and biochemical conversion processes, respectively. Biofuel produced using the thermochemical conversion process resulted in lower TRACI single score impacts and somewhat lower GHG emissions per megajoule (MJ of fuel than using the biochemical conversion pathway. The cost of carbon mitigation resulting from biofuel production and corresponding government subsidies was determined to be higher than the expected market carbon price. In some scenarios, the cost of carbon mitigation was several times higher than the market carbon price, indicating that there may be other more cost-effective methods of reducing carbon emissions.

Thermodynamic limits on the performance of a solar thermochemical energy storage system

Energy Technology Data Exchange (ETDEWEB)

Lovegrove, K [Australian National Univ., Canberra (Australia). Energy Research Centre

1993-12-01

General expressions for the exergetic and work recovery efficiencies of thermochemical storage systems have been developed by assuming that the reaction process is the only source irreversibility within the closed-loop system. These have been used to plot contours of constant efficiency for the ammonia-based thermochemical system. The effect of spontaneous separation of mixtures due to the preferential condensation of ammonia has been examined analytically and graphically. The analysis presented represents a necessary prerequisite for the optimization of system efficiencies by reactor design. (author)

Perspectives of advanced thermal management in solar thermochemical syngas production using a counter-flow solid-solid heat exchanger

Science.gov (United States)

Falter, Christoph; Sizmann, Andreas; Pitz-Paal, Robert

2017-06-01

A modular reactor model is presented for the description of solar thermochemical syngas production involving counter-flow heat exchangers that recuperate heat from the solid phase. The development of the model is described including heat diffusion within the reactive material as it travels through the heat exchanger, which was previously identified to be a possibly limiting factor in heat exchanger design. Heat transfer within the reactive medium is described by conduction and radiation, where the former is modeled with the three-resistor model and the latter with the Rosseland diffusion approximation. The applicability of the model is shown by the analysis of heat exchanger efficiency for different material thicknesses and porosities in a system with 8 chambers and oxidation and reduction temperatures of 1000 K and 1800 K, respectively. Heat exchanger efficiency is found to rise strongly for a reduction of material thickness, as the element mass is reduced and a larger part of the elements takes part in the heat exchange process. An increase of porosity enhances radiation heat exchange but deteriorates conduction. The overall heat exchange in the material is improved for high temperatures in the heat exchanger, as radiation dominates the energy transfer. The model is shown to be a valuable tool for the development and analysis of solar thermochemical reactor concepts involving heat exchange from the solid phase.

Materials considerations for the coupling of thermochemical hydrogen cycles to tandem mirror reactors

International Nuclear Information System (INIS)

Krikorian, O.H.

1980-01-01

Candidate materials are discussed and initial choices made for the critical elements in a liquid Li-Na Cauldron Tandem Mirror blanket and the General Atomic Sulfur-Iodine Cycle for thermochemical hydrogen production. V and Ti alloys provide low neutron activation, good radiation damage resistance, and good chemical compatibility for the Cauldron design. Aluminide coated In-800H and siliconized SiC are materials choices for heat exchanger components in the thermochemical cycle interface

Blanket materials for fusion reactors: comparisons of thermochemical performance

International Nuclear Information System (INIS)

Johnson, C.E.; Fischer, A.K.; Tetenbaum, M.

1984-01-01

Thermodynamic calculations have been made to predict the thermochemical performance of the fusion reactor breeder materials, Li 2 O, LiAlO 2 , and Li 4 SiO 4 in the temperature range 900 to 1300 0 K and in the oxygen activity range 10 -25 to 10 -5 . Except for a portion of these ranges, the performance of LiAlO 2 is predicted to be better than that of Li 2 O and Li 4 SiO 4 . The protium purge technique for enhancing tritium release is explored for the Li 2 O system; it appears advantageous at higher temperatures but should be used cautiously at lower temperatures. Oxygen activity is an important variable in these systems and must be considered in executing and interpreting measurements on rates of tritium release, the form of released tritium, diffusion of tritiated species and their identities, retention of tritium in the condensed phase, and solubility of hydrogen isotope gases

Thermochemical properties of media for pyrometallurgical nuclear fuel reprocessing

International Nuclear Information System (INIS)

Hosoya, Yuji; Terai, Takayuki

1998-01-01

Molten chloride/cadmium system is considered to be applied to a solvent in pyrochemical reprocessing of spent nuclear fuel. In this work, phase diagrams for molten chloride systems were constructed, using NdCl 3 as an imitative substance in place of UCl 3 or PuCl 3 . Hastelloy-X (Ni/Cr21/Fe18/Mo9/W) was examined as a structural material for the corrosion-resistance against molten chloride baths containing NdCl 3 . The process of corrosion was thermochemically discussed and the form of the corrosion was illustrated. Rutherford backscattering spectroscopy was successfully applied to determine the elemental distribution profile of specimens tested on the compatibility with molten chloride mixture at elevated temperature. Ferritic steel was also examined as another candidate material for the compatibility with molten cadmium covered with LiCl-KCl eutectic salt. Variation of near-surface composition was observed by comparing the results of Rutherford backscattering spectroscopy obtained before and after the dipping. (author)

Bibliographic Review about Solar Hydrogen Production Through Thermochemical Cycles; Revision Bibliografica sobre la Produccion de Hidrogeno Solar Mediante Ciclos Termoquimicos

Energy Technology Data Exchange (ETDEWEB)

Fernandez Saavedra, R.

2007-12-28

This report presents a summary of the different thermical processes used to obtain hydrogen through solar energy, paying more attention to the production of hydrogen from water through thermochemical cycles. In this aspect, it is briefly described the most interesting thermochemical cycles, focusing on thermochemical cycles based on oxides. (Author) 25 refs.

Bibliographic Review about Solar Hydrogen Production Through Thermochemical Cycles; Revision Bibliografica sobre la Produccion de Hidrogeno Solar Mediante Ciclos Termoquimicos

Energy Technology Data Exchange (ETDEWEB)

Fernandez Saavedra, R.

2008-08-06

This report presents a summary of the different thermical processes used to obtain hydrogen through solar energy, paying more attention to the production of hydrogen from water through thermochemical cycles. In this aspect, it is briefly y described the most interesting thermochemical cycles, focusing on thermochemical cycles based on oxides. (Author) 25 refs.

Thermochemical study of cyanopyrazines: Experimental and theoretical approaches

International Nuclear Information System (INIS)

Miranda, Margarida S.; Morais, Victor M.F.; Matos, M. Agostinha R.

2006-01-01

The standard (p - bar =0.1MPa) molar energy of combustion, at T=298.15K, of crystalline 2,3-dicyanopyrazine was measured by static bomb calorimetry, in oxygen atmosphere. The standard molar enthalpy of sublimation, at T=298.15K, was obtained by Calvet Microcalorimetry, allowing the calculation of the standard molar enthalpy of formation of the compound, in the gas phase, at T=298.15K: Δ f H m - bar (g)=(518.7+/-3.4)kJ.mol -1 . In addition, the geometries of all cyanopyrazines were obtained using density functional theory with the B3LYP functional and two basis sets: 6-31G* and 6-311G**. These calculations were then used for a better understanding of the relation between structure and energetics of the cyanopyrazine systems. These calculations also reproduce measured standard molar enthalpies of formation with some accuracy and do provide estimates of this thermochemical parameter for those compounds that could not be studied experimentally, namely the tri- and tetracyanopyrazines: the strong electron withdrawing cyano group on the pyrazine ring makes cyanopyrazines highly destabilized compounds

Thermochemical study of MoS2 oxidation

International Nuclear Information System (INIS)

Filimonov, D.S.; Topor, N.D.; Kesler, Ya.A.

1990-01-01

Thermochemical studies of oxidation processes of metallic molybdenum, sulfur, molybdenum disulfide under different conditions in microcalorimeter are conducted. Values of thermal effects which are used to calculate standard formation enthalpy of MoS 2 and which correlate well are obtained. Δ f H 0 (MoS 2 ,298.15 K) recommended value constitutes (-223.0±16.7) kJ/mol

Estimation of thermochemical behavior of spallation products in mercury target

International Nuclear Information System (INIS)

Kobayashi, Kaoru; Kaminaga, Masanori; Haga, Katsuhiro; Kinoshita, Hidetaka; Aso, Tomokazu; Teshigawara, Makoto; Hino, Ryutaro

2002-02-01

In order to examine the radiation safety of a spallation mercury target system, especially source term evaluation, it is necessary to clarify the chemical forms of spallation products generated by spallation reaction with proton beam. As for the chemical forms of spallation products in mercury that involves large amounts of spallation products, these forms were estimated by using the binary phase diagrams and the thermochemical equilibrium calculation based on the amounts of spallation product. Calculation results showed that the mercury would dissolve Al, As, B, Be, Bi, C, Co, Cr, Fe, Ga, Ge, Ir, Mo, Nb, Os, Re, Ru, Sb, Si, Ta, Tc, V and W in the element state, and Ag, Au, Ba, Br, Ca, Cd, Ce, Cl, Cs, Cu, Dy, Er, Eu, F, Gd, Hf, Ho, I, In, K, La, Li, Lu, Mg, Mn, Na, Nd, Ni, O, Pb, Pd, Pr, Pt, Rb, Rh, S, Sc, Se, Sm, Sn, Sr, Tb, Te, Ti, Tl, Tm, Y, Yb, Zn and Zr in the form of inorganic mercury compounds. As for As, Be, Co, Cr, Fe, Ge, Ir, Mo, Nb, Os, Pt, Re, Ru, Se, Ta, V, W and Zr, precipitation could be occurred when increasing the amounts of spallation products with operation time of the spallation target system. On the other hand, beryllium-7 (Be-7), which is produced by spallation reaction of oxygen in the cooling water of a safety hull, becomes the main factor of the external exposure to maintain the cooling loop. Based on the thermochemical equilibrium calculation to Be-H 2 O binary system, the chemical forms of Be in the cooling water were estimated. Then the Be could exist in the form of cations such as BeOH + , BeO + and Be 2+ under the condition of less than 10 -8 of the Be mole fraction in the cooling water. (author)

Thermochemical treatment of radioactive waste by using powder metal fuels

International Nuclear Information System (INIS)

Dmitriev, S.A.; Ojovan, M.I.; Karlina, O.K.

2001-01-01

Full text: A thermochemical approach was suggested for treating and conditioning specific streams of radioactive wastes for example spent ion exchange resins, mixed, organic or chlorine-containing radioactive waste as well as in order to decontaminate heavily contaminated surfaces. Conventional treatment methods of such waste encounters serious problems concerning complete destruction of organic molecules and possible emissions of radionuclides, heavy metals and chemically hazardous species or in case of contaminated materials - complete removal of contamination from surface. The thermochemical treatment of radioactive waste uses powdered metal fuels (PMF) that are specifically formulated for the waste composition and react chemically with the waste components. Thermochemical treatment technologies use the energy of chemical reactions in the mixture of waste with PMF to sustain both decomposition and synthesis processes as well as processes of isomorphic substitutions of hazardous elements into stable mineral forms. The composition of the PMF is designed in such a way as to minimise the release of hazardous components and radionuclides in the off gas and to confine the contaminants in the mineral or glass like final products. The thermochemical procedures allow decomposition of organic matter and capturing hazardous radionuclides and chemical species simultaneously. Thermochemical treatment technologies are very efficient, easy to apply, they have low capital investment and can be used both at large and small facilities. An advantage of thermochemical technologies is their autonomy. Thus these technologies can be successfully applied in order to treat small amount of waste without usage of complex and expensive equipment. They can be used also in emergency situations. Currently the thermochemical treatment technologies were developed and demonstrated to be feasible as follows: 1. Decontamination of surfaces; 2. Processing of organic waste; 3. Vitrification of dusty

Comprehensive characterisation of sewage sludge for thermochemical conversion processes - Based on Singapore survey.

Science.gov (United States)

Chan, Wei Ping; Wang, Jing-Yuan

2016-08-01

Recently, sludge attracted great interest as a potential feedstock in thermochemical conversion processes. However, compositions and thermal degradation behaviours of sludge were highly complex and distinctive compared to other traditional feedstock led to a need of fundamental research on sludge. Comprehensive characterisation of sludge specifically for thermochemical conversion was carried out for all existing Water Reclamation Plants in Singapore. In total, 14 sludge samples collected based on the type, plant, and batch categorisation. Existing characterisation methods for physical and chemical properties were analysed and reviewed using the collected samples. Qualitative similarities and quantitative variations of different sludge samples were identified and discussed. Oxidation of inorganic in sludge during ash forming analysis found to be causing significant deviations on proximate and ultimate analysis. Therefore, alternative parameters and comparison basis including Fixed Residues (FR), Inorganic Matters (IM) and Total Inorganics (TI) were proposed for better understanding on the thermochemical characteristics of sludge. Copyright © 2016 Elsevier Ltd. All rights reserved.

Thermochemical structure of the Earth's mantle and continental crust

DEFF Research Database (Denmark)

Guerri, Mattia

A detailed knowledge of the Earth's thermal structure and chemical composition is fundamental in order to understand the processes driving the planet ormation and evolution. The inaccessibility of most of the Earth's interior makes the determination of its thermo-chemical conditions a challenging...

Biomass thermochemical gasification: Experimental studies and modeling

Science.gov (United States)

Kumar, Ajay

The overall goals of this research were to study the biomass thermochemical gasification using experimental and modeling techniques, and to evaluate the cost of industrial gas production and combined heat and power generation. This dissertation includes an extensive review of progresses in biomass thermochemical gasification. Product gases from biomass gasification can be converted to biopower, biofuels and chemicals. However, for its viable commercial applications, the study summarizes the technical challenges in the gasification and downstream processing of product gas. Corn stover and dried distillers grains with solubles (DDGS), a non-fermentable byproduct of ethanol production, were used as the biomass feedstocks. One of the objectives was to determine selected physical and chemical properties of corn stover related to thermochemical conversion. The parameters of the reaction kinetics for weight loss were obtained. The next objective was to investigate the effects of temperature, steam to biomass ratio and equivalence ratio on gas composition and efficiencies. DDGS gasification was performed on a lab-scale fluidized-bed gasifier with steam and air as fluidizing and oxidizing agents. Increasing the temperature resulted in increases in hydrogen and methane contents and efficiencies. A model was developed to simulate the performance of a lab-scale gasifier using Aspen Plus(TM) software. Mass balance, energy balance and minimization of Gibbs free energy were applied for the gasification to determine the product gas composition. The final objective was to optimize the process by maximizing the net energy efficiency, and to estimate the cost of industrial gas, and combined heat and power (CHP) at a biomass feedrate of 2000 kg/h. The selling price of gas was estimated to be 11.49/GJ for corn stover, and 13.08/GJ for DDGS. For CHP generation, the electrical and net efficiencies were 37 and 86%, respectively for corn stover, and 34 and 78%, respectively for DDGS. For

Advanced Electrochemical Technologies for Hydrogen Production by Alternative Thermochemical Cycles

Energy Technology Data Exchange (ETDEWEB)

Lvov, Serguei; Chung, Mike; Fedkin, Mark; Lewis, Michele; Balashov, Victor; Chalkova, Elena; Akinfiev, Nikolay; Stork, Carol; Davis, Thomas; Gadala-Maria, Francis; Stanford, Thomas; Weidner, John; Law, Victor; Prindle, John

2011-01-06

Hydrogen fuel is a potentially major solution to the problem of climate change, as well as addressing urban air pollution issues. But a key future challenge for hydrogen as a clean energy carrier is a sustainable, low-cost method of producing it in large capacities. Most of the world's hydrogen is currently derived from fossil fuels through some type of reforming processes. Nuclear hydrogen production is an emerging and promising alternative to the reforming processes for carbon-free hydrogen production in the future. This report presents the main results of a research program carried out by a NERI Consortium, which consisted of Penn State University (PSU) (lead), University of South Carolina (USC), Tulane University (TU), and Argonne National Laboratory (ANL). Thermochemical water decomposition is an emerging technology for large-scale production of hydrogen. Typically using two or more intermediate compounds, a sequence of chemical and physical processes split water into hydrogen and oxygen, without releasing any pollutants externally to the atmosphere. These intermediate compounds are recycled internally within a closed loop. While previous studies have identified over 200 possible thermochemical cycles, only a few have progressed beyond theoretical calculations to working experimental demonstrations that establish scientific and practical feasibility of the thermochemical processes. The Cu-Cl cycle has a significant advantage over other cycles due to lower temperature requirements – around 530 °C and below. As a result, it can be eventually linked with the Generation IV thermal power stations. Advantages of the Cu-Cl cycle over others include lower operating temperatures, ability to utilize low-grade waste heat to improve energy efficiency, and potentially lower cost materials. Another significant advantage is a relatively low voltage required for the electrochemical step (thus low electricity input). Other advantages include common chemical agents and

Thermochemical stability of Li-Cu-O ternary compounds stable at room temperature analyzed by experimental and theoretical methods

Energy Technology Data Exchange (ETDEWEB)

Lepple, Maren [Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen (Germany). Inst. for Applied Materials - Applied Materials Physics; Technische Univ. Darmstadt (Germany). Eduard-Zintl-Inst. of Inorganic and Physical Chemistry; Rohrer, Jochen; Albe, Karsten [Technische Univ. Darmstadt (Germany). Fachgebiet Materialmodellierung; Adam, Robert; Rafaja, David [Technical Univ. Freiberg (Germany). Inst. of Materials Science; Cupid, Damian M. [Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen (Germany). Inst. for Applied Materials - Applied Materials Physics; Austrian Institute of Technology GmbH, Vienna (Austria). Center for Low-Emission Transport TECHbase; Seifert, Hans J. [Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen (Germany). Inst. for Applied Materials - Applied Materials Physics

2017-11-15

Compounds in the Li-Cu-O system are of technological interest due to their electrochemical properties which make them attractive as electrode materials, i.e., in future lithium ion batteries. In order to select promising compositions for such applications reliable thermochemical data are a prerequisite. Although various groups have investigated individual ternary phases using different experimental setups, up to now, no systematic study of all relevant phases is available in the literature. In this study, we combine drop solution calorimetry with density function theory calculations to systematically investigate the thermodynamic properties of ternary Li-Cu-O phases. In particular, we present a consistently determined set of enthalpies of formation, Gibbs energies and heat capacities for LiCuO, Li{sub 2}CuO{sub 2} and LiCu{sub 2}O{sub 2} and compare our results with existing literature.

Probabilistic thermo-chemical analysis of a pultruded composite rod

DEFF Research Database (Denmark)

Baran, Ismet; Tutum, Cem Celal; Hattel, Jesper Henri

2012-01-01

In the present study the deterministic thermo-chemical pultrusion simulation of a composite rod taken from the literature [7] is used as a validation case. The predicted centerline temperature and cure degree profiles of the rod match well with those in the literature [7]. Following the validation...

Thermochemical conversion of microalgal biomass into biofuels: a review.

Science.gov (United States)

Chen, Wei-Hsin; Lin, Bo-Jhih; Huang, Ming-Yueh; Chang, Jo-Shu

2015-05-01

Following first-generation and second-generation biofuels produced from food and non-food crops, respectively, algal biomass has become an important feedstock for the production of third-generation biofuels. Microalgal biomass is characterized by rapid growth and high carbon fixing efficiency when they grow. On account of potential of mass production and greenhouse gas uptake, microalgae are promising feedstocks for biofuels development. Thermochemical conversion is an effective process for biofuel production from biomass. The technology mainly includes torrefaction, liquefaction, pyrolysis, and gasification. Through these conversion technologies, solid, liquid, and gaseous biofuels are produced from microalgae for heat and power generation. The liquid bio-oils can further be upgraded for chemicals, while the synthesis gas can be synthesized into liquid fuels. This paper aims to provide a state-of-the-art review of the thermochemical conversion technologies of microalgal biomass into fuels. Detailed conversion processes and their outcome are also addressed. Copyright © 2014 Elsevier Ltd. All rights reserved.

Overview of recent advances in thermo-chemical conversion of biomass

International Nuclear Information System (INIS)

Zhang Linghong; Xu Chunbao; Champagne, Pascale

2010-01-01

Energy from biomass, bioenergy, is a perspective source to replace fossil fuels in the future, as it is abundant, clean, and carbon dioxide neutral. Biomass can be combusted directly to generate heat and electricity, and by means of thermo-chemical and bio-chemical processes it can be converted into bio-fuels in the forms of solid (e.g., charcoal), liquid (e.g., bio-oils, methanol and ethanol), and gas (e.g., methane and hydrogen), which can be used further for heat and power generation. This paper provides an overview of the principles, reactions, and applications of four fundamental thermo-chemical processes (combustion, pyrolysis, gasification, and liquefaction) for bioenergy production, as well as recent developments in these technologies. Some advanced thermo-chemical processes, including co-firing/co-combustion of biomass with coal or natural gas, fast pyrolysis, plasma gasification and supercritical water gasification, are introduced. The advantages and disadvantages, potential for future applications and challenges of these processes are discussed. The co-firing of biomass and coal is the easiest and most economical approach for the generation of bioenergy on a large-sale. Fast pyrolysis has attracted attention as it is to date the only industrially available technology for the production of bio-oils. Plasma techniques, due to their high destruction and reduction efficiencies for any form of waste, have great application potential for hazardous waste treatment. Supercritical water gasification is a promising approach for hydrogen generation from biomass feedstocks, especially those with high moisture contents.

Database of Small Molecule Thermochemistry for Combustion

KAUST Repository

Goldsmith, C. Franklin; Magoon, Gregory R.; Green, William H.

2012-01-01

High-accuracy ab initio thermochemistry is presented for 219 small molecules relevant in combustion chemistry, including many radical, biradical, and triplet species. These values are critical for accurate kinetic modeling. The RQCISD(T)/cc-PV∞QZ//B3LYP/6-311++G(d,p) method was used to compute the electronic energies. A bond additivity correction for this method has been developed to remove systematic errors in the enthalpy calculations, using the Active Thermochemical Tables as reference values. On the basis of comparison with the benchmark data, the 3σ uncertainty in the standard-state heat of formation is 0.9 kcal/mol, or within chemical accuracy. An uncertainty analysis is presented for the entropy and heat capacity. In many cases, the present values are the most accurate and comprehensive numbers available. The present work is compared to several published databases. In some cases, there are large discrepancies and errors in published databases; the present work helps to resolve these problems. © 2012 American Chemical Society.

Database of Small Molecule Thermochemistry for Combustion

KAUST Repository

Goldsmith, C. Franklin

2012-09-13

High-accuracy ab initio thermochemistry is presented for 219 small molecules relevant in combustion chemistry, including many radical, biradical, and triplet species. These values are critical for accurate kinetic modeling. The RQCISD(T)/cc-PV∞QZ//B3LYP/6-311++G(d,p) method was used to compute the electronic energies. A bond additivity correction for this method has been developed to remove systematic errors in the enthalpy calculations, using the Active Thermochemical Tables as reference values. On the basis of comparison with the benchmark data, the 3σ uncertainty in the standard-state heat of formation is 0.9 kcal/mol, or within chemical accuracy. An uncertainty analysis is presented for the entropy and heat capacity. In many cases, the present values are the most accurate and comprehensive numbers available. The present work is compared to several published databases. In some cases, there are large discrepancies and errors in published databases; the present work helps to resolve these problems. © 2012 American Chemical Society.

Thermochemical properties of the alkali hydroxides: A review

International Nuclear Information System (INIS)

Konings, R.J.M.; Cordfunke, E.H.P.

1989-01-01

The formation of volatile alkali hydroxides as a result of high-temperature steam corrosion plays an important role in nuclear technology. For the modeling of the volatilization processes, reliable thermodynamic data are required. In the present paper recent physico-chemical experiments by the authors will be discussed and the thermochemical properties of the alkali hydroxide series will be evaluated. (orig.)

Solar thermochemical processing system and method

Science.gov (United States)

Wegeng, Robert S.; Humble, Paul H.; Krishnan, Shankar; Leith, Steven D.; Palo, Daniel R.; Dagle, Robert A.

2018-04-24

A solar thermochemical processing system is disclosed. The system includes a first unit operation for receiving concentrated solar energy. Heat from the solar energy is used to drive the first unit operation. The first unit operation also receives a first set of reactants and produces a first set of products. A second unit operation receives the first set of products from the first unit operation and produces a second set of products. A third unit operation receives heat from the second unit operation to produce a portion of the first set of reactants.

Water Footprint and Land Requirement of Solar Thermochemical Jet-Fuel Production.

Science.gov (United States)

Falter, Christoph; Pitz-Paal, Robert

2017-11-07

The production of alternative fuels via the solar thermochemical pathway has the potential to provide supply security and to significantly reduce greenhouse gas emissions. H 2 O and CO 2 are converted to liquid hydrocarbon fuels using concentrated solar energy mediated by redox reactions of a metal oxide. Because attractive production locations are in arid regions, the water footprint and the land requirement of this fuel production pathway are analyzed. The water footprint consists of 7.4 liters per liter of jet fuel of direct demand on-site and 42.4 liters per liter of jet fuel of indirect demand, where the dominant contributions are the mining of the rare earth oxide ceria, the manufacturing of the solar concentration infrastructure, and the cleaning of the mirrors. The area-specific productivity is found to be 33 362 liters per hectare per year of jet fuel equivalents, where the land coverage is mainly due to the concentration of solar energy for heat and electricity. The water footprint and the land requirement of the solar thermochemical fuel pathway are larger than the best power-to-liquid pathways but an order of magnitude lower than the best biomass-to-liquid pathways. For the production of solar thermochemical fuels arid regions are best-suited, and for biofuels regions of a moderate and humid climate.

Comparative Life Cycle Assessment of Lignocellulosic Ethanol Production: Biochemical Versus Thermochemical Conversion

Science.gov (United States)

Mu, Dongyan; Seager, Thomas; Rao, P. Suresh; Zhao, Fu

2010-10-01

Lignocellulosic biomass can be converted into ethanol through either biochemical or thermochemical conversion processes. Biochemical conversion involves hydrolysis and fermentation while thermochemical conversion involves gasification and catalytic synthesis. Even though these routes produce comparable amounts of ethanol and have similar energy efficiency at the plant level, little is known about their relative environmental performance from a life cycle perspective. Especially, the indirect impacts, i.e. emissions and resource consumption associated with the production of various process inputs, are largely neglected in previous studies. This article compiles material and energy flow data from process simulation models to develop life cycle inventory and compares the fossil fuel consumption, greenhouse gas emissions, and water consumption of both biomass-to-ethanol production processes. The results are presented in terms of contributions from feedstock, direct, indirect, and co-product credits for four representative biomass feedstocks i.e., wood chips, corn stover, waste paper, and wheat straw. To explore the potentials of the two conversion pathways, different technological scenarios are modeled, including current, 2012 and 2020 technology targets, as well as different production/co-production configurations. The modeling results suggest that biochemical conversion has slightly better performance on greenhouse gas emission and fossil fuel consumption, but that thermochemical conversion has significantly less direct, indirect, and life cycle water consumption. Also, if the thermochemical plant operates as a biorefinery with mixed alcohol co-products separated for chemicals, it has the potential to achieve better performance than biochemical pathway across all environmental impact categories considered due to higher co-product credits associated with chemicals being displaced. The results from this work serve as a starting point for developing full life cycle

Thermochemical investigation into coordination ability of zinc and cadmium alkyl compounds in solutions

International Nuclear Information System (INIS)

Aleksandrov, Yu.A.; Fedostseva, G.A.; Tsvetkov, V.G.; Lebedev, S.A.; Kozyrkin, B.I.

1983-01-01

Enthalpies of zinc alkyl compounds mixing, as well as those of dimethyl cadmium mixing with hexane, previously used as a solvent during the study of liquid-phase autooxidation of Me 2 Cd and Me 2 Zn, and with a series of organic bases at 298 K and at components ratio 1:1 or 1:2, are determined. Using calorimetric method dimethyl cadmium association in liquid state has been evaluated. Coordination ability of zinc alkyl compounds is higher than for the corresponding cadmium compounds. With the increase of alkyl radical length the electron seeking ability of zinc compounds decreases. On the basis of thermochemical data relative stability of coordination compounds of zinc and cadmium alkyl compounds with certain alkyl compounds of group 6 elements is evaluated: it has the maximum value for sulfur compounds

Holistic analysis of thermochemical processes by using solid biomass for fuel production in Germany

International Nuclear Information System (INIS)

Henssler, Martin

2015-01-01

According to the German act ''Biokraftstoff-Nachhaltigkeitsverordnung'', biofuels must show a CO 2eq -reduction compared to the fossil reference fuel (83.8 g CO 2eq /MJ fuel /Richtlinie 98/70/EG/) of 35 % beginning with 2011. In new plants, which go into operation after the 31.12.2016 the CO 2eq -savings must be higher than 50 % in 2017 and higher than 60 % in 2018 /Biokraft-NachV/. The biofuels (methyl ester of rapeseed, bioethanol and biomethane) considered in this study do not meet these requirements for new plants. To comply with these rules new processes must be deployed. Alternative thermochemical generated fuels could be an option. The aim of this work is to evaluate through a technical, ecological and economic analysis (Well-to-Wheel) whether and under what conditions the thermochemical production of Fischer-Tropsch-diesel or -gasoline, hydrogen (H 2 ) and Substitute Natural Gas (SNG) complies with the targets. Four different processes are considered (fast pyrolysis and torrefaction with entrained flow gasifier, CHOREN Carbo-V registered -gasifier, Absorption Enhanced Reforming (AER-) gasifier). Beside residues such as winter wheat straw and residual forest wood, wood from short-rotation plantations is taken into account. The technical analysis showed that at present status (2010) two and in 2050 six plants can be operated energy-self-sufficient. The overall efficiency of the processes is in the range of 41.5 (Fischer-Tropsch-diesel or -gasoline) and 59.4 % (H 2 ). Furthermore, it was found that for 2010, all thermochemical produced fuels except the H 2 -production from wood from short-rotation plantations in decentralised or central fast pyrolysis and in decentralised torrefactions with entrained flow gasifier keep the required CO 2eq -saving of 60 %. In 2050, all thermochemical produced fuels will reach these limits. The CO 2eq -saving is between 72 (H 2 ) and 95 % (Fischer-Tropsch-diesel or -gasoline). When the production costs of the

Hydrogen production by thermochemical cycles of water splitting coupled to a solar energy source

International Nuclear Information System (INIS)

Charvin, P.

2007-11-01

The aim of this work is to identify, to test and to estimate new thermochemical cycles able to efficiently produce hydrogen from concentrated solar energy. In fact, the aim is to propose a hydrogen production way presenting a global energetic yield similar to electrolysis, that is to say 20-25%, electrolysis being at the present time the most advanced current process for a clean hydrogen production from water. After a first chapter dealing with the past and present researches on thermochemical cycles, the first step of this study has consisted on a selection of a limited number of thermochemical cycles able to produce great quantities of hydrogen from concentrated solar energy. It has consisted in particular on a review of the thermochemical cycles present in literature, on a first selection from argued criteria, and on an exergetic and thermodynamic analysis of the retained cycles for a first estimation of their potential. The second step of this study deals with the experimental study of all the chemical reactions occurring in the retained cycles. Two different oxides cycles have been particularly chosen and the aims are to demonstrate the feasibility of the reactions, to identify the optimal experimental conditions, to estimate and optimize the kinetics and the chemical yields. The following part of this work deals with the design, the modeling and the test of a solar reactor. A CFD modeling of a high temperature reactor of cavity type allows to identify the main heat losses of the reactor and to optimize the geometry of the cavity. A dynamic modeling of the reactor gives data on its behaviour in transient regime and under a real solar flux. The results of the preliminary experimental results are presented. The last part of this study deals with a process analysis of the thermochemical cycles from the results of the experimental study (experimental conditions, yields...). The matter and energy balances are established in order to estimate the global energetic

Utilization of salt ammoniacates in fluidized beds in energy conversion thermochemical systems

International Nuclear Information System (INIS)

Romero, Jesus

1984-01-01

This research thesis notably reports the design and development of a thermochemical storage device involving equilibria of thermal decomposition of ammoniacates of strontium chlorides and calcium chloride in fluidized beds. The experimental study of this device allowed operating conditions and the most important concomitant effects of fluidization to be highlighted. The measured thermal exchange coefficient is about twenty times the measured value in equivalent devices using fixed beds. An irreversibility of the operation has been noticed, and seems to be associated with the irreversible change of grain size of solids. The author also reports a study of the properties of ammoniacates of metallic salts, and of the influence of fluidization on the performance of energy conversion thermochemical systems [fr

Thermochemical equilibrium in a kernel of a UN TRISO coated fuel particle

International Nuclear Information System (INIS)

Kim, Young Min; Jo, C. K.; Lim, H. S.; Cho, M. S.; Lee, W. J.

2012-01-01

A coated fuel particle (CFP) with a uranium mononitride (UN) kernel has been recently considered as an advanced fuel option, such as in fully ceramic micro encapsulated (FCM) replacement fuel for light water reactors (LWRs). In FCM fuel, a large number of tri isotropic coated fuel particles (TRISOs) are embedded in a silicon carbide (SiC) matrix. Thermochemical equilibrium calculations can predict the chemical behaviors of a kernel in a TRISO of FCM fuel during irradiation. They give information on the kind and quantity of gases generated in a kernel during irradiation. This study treats the quantitative analysis of thermochemical equilibrium in a UN TRISO of FCM LWR fuel using HSC software

Experimental Investigation and Thermodynamic Modeling of the B2O3-FeO-Fe2O3-Nd2O3 System for Recycling of NdFeB Magnet Scrap

Science.gov (United States)

Jakobsson, Lars Klemet; Tranell, Gabriella; Jung, In-Ho

2017-02-01

NdFeB magnet scrap is an alternative source of neodymium that could have a significantly lower impact on the environment than current mining and extraction processes. Neodymium can be readily oxidized in the presence of oxygen, which makes it easy to recover neodymium in oxide form. Thermochemical data and phase diagrams for neodymium oxide containing systems is, however, very limited. Thermodynamic modeling of the B2O3-FeO-Fe2O3-Nd2O3 system was hence performed to obtain accurate phase diagrams and thermochemical properties of the system. Key phase diagram experiments were also carried out for the FeO-Nd2O3 system in saturation with iron to improve the accuracy of the present modeling. The modified quasichemical model was used to describe the Gibbs energy of the liquid oxide phase. The Gibbs energy functions of the liquid phase and the solids were optimized to reproduce all available and reliable phase diagram data, and thermochemical properties of the system. Finally the optimized database was applied to calculate conditions for selective oxidation of neodymium from NdFeB magnet waste.

Thermochemical modelling of multi-component systems

International Nuclear Information System (INIS)

Sundman, B.; Gueneau, C.

2015-01-01

Computational thermodynamic, also known as the Calphad method, is a standard tool in industry for the development of materials and improving processes and there is an intense scientific development of new models and databases. The calculations are based on thermodynamic models of the Gibbs energy for each phase as a function of temperature, pressure and constitution. Model parameters are stored in databases that are developed in an international scientific collaboration. In this way, consistent and reliable data for many properties like heat capacity, chemical potentials, solubilities etc. can be obtained for multi-component systems. A brief introduction to this technique is given here and references to more extensive documentation are provided. (authors)

Fuels production by the thermochemical transformation of the biomass

International Nuclear Information System (INIS)

Claudet, G.

2005-01-01

The biomass is a local and renewable energy source, presenting many advantages. This paper proposes to examine the biomass potential in France, the energy valorization channels (thermochemical chains of thermolysis and gasification) with a special interest for the hydrogen production and the research programs oriented towards the agriculture and the forest. (A.L.B.)

Remarks on the thermochemical production of hydrogen from water using heat from the high temperature reactor

International Nuclear Information System (INIS)

Barnert, H.

1980-06-01

In this report, some aspects of the production of hydrogen from water using heat from the High Temperature Reactor has been studied. These aspects are: the theoretical potential for economic competitivness, the application of hydrogen in the Heat Market, the size of the market potential in the Federal Republic of Germany and the extent of research and development work. In addition another novel proposal for a thermochemical cycle has been studied. For the description of the theoretical potential for economic competitivness, a definition of the 'coupling', has been introduced, which is thermodynamicaly developed; the thermochemical cycle is compared with the thermochemical cycle. Using the coupling, it becomes possible to describe a relation between thermodynamical parameters and the ecomomical basic data of capital costs. Reasons are given from the theoretical point of view for the application of hydrogen as an energy carrier of high exergetic value in the heat market. The discussion of energy problems as 'questions of global survival' leads here to a proposal for the introduction of the term 'extropy'. The market potential in the Federal Republic of Germany is estimated. A further novel proposal for a thermochemical cycle is the 'hydrocarbon-hybrid-process'. The extent of research and development work is explained. (orig.) [de

Process simulation of nuclear-based thermochemical hydrogen production with a copper-chlorine cycle

International Nuclear Information System (INIS)

Chukwu, C.C.; Naterer, G.F.; Rosen, M.A.

2008-01-01

Thermochemical processes for hydrogen production driven by nuclear energy are promising alternatives to existing technologies for large-scale commercial production of hydrogen without fossil fuels. The copper-chlorine (Cu-Cl) cycle, in which water is decomposed into hydrogen and oxygen, is promising for thermochemical hydrogen production in conjunction with a Supercritical Water Cooled Reactor. Here, the cycle efficiency is examined using the Aspen Plus process simulation code. Possible efficiency improvements are discussed. The results are expected to assist the development of a lab-scale cycle demonstration, which is currently being undertaken at University of Ontario Institute of Technology in collaboration with numerous partners. (author)

Estimation of thermochemical behavior of spallation products in mercury target

Energy Technology Data Exchange (ETDEWEB)

Kobayashi, Kaoru; Kaminaga, Masanori; Haga, Katsuhiro; Kinoshita, Hidetaka; Aso, Tomokazu; Teshigawara, Makoto; Hino, Ryutaro [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

2002-02-01

In order to examine the radiation safety of a spallation mercury target system, especially source term evaluation, it is necessary to clarify the chemical forms of spallation products generated by spallation reaction with proton beam. As for the chemical forms of spallation products in mercury that involves large amounts of spallation products, these forms were estimated by using the binary phase diagrams and the thermochemical equilibrium calculation based on the amounts of spallation product. Calculation results showed that the mercury would dissolve Al, As, B, Be, Bi, C, Co, Cr, Fe, Ga, Ge, Ir, Mo, Nb, Os, Re, Ru, Sb, Si, Ta, Tc, V and W in the element state, and Ag, Au, Ba, Br, Ca, Cd, Ce, Cl, Cs, Cu, Dy, Er, Eu, F, Gd, Hf, Ho, I, In, K, La, Li, Lu, Mg, Mn, Na, Nd, Ni, O, Pb, Pd, Pr, Pt, Rb, Rh, S, Sc, Se, Sm, Sn, Sr, Tb, Te, Ti, Tl, Tm, Y, Yb, Zn and Zr in the form of inorganic mercury compounds. As for As, Be, Co, Cr, Fe, Ge, Ir, Mo, Nb, Os, Pt, Re, Ru, Se, Ta, V, W and Zr, precipitation could be occurred when increasing the amounts of spallation products with operation time of the spallation target system. On the other hand, beryllium-7 (Be-7), which is produced by spallation reaction of oxygen in the cooling water of a safety hull, becomes the main factor of the external exposure to maintain the cooling loop. Based on the thermochemical equilibrium calculation to Be-H{sub 2}O binary system, the chemical forms of Be in the cooling water were estimated. Then the Be could exist in the form of cations such as BeOH{sup +}, BeO{sup +} and Be{sup 2+} under the condition of less than 10{sup -8} of the Be mole fraction in the cooling water. (author)

A process for the thermochemical poduction of H2

International Nuclear Information System (INIS)

Norman, J.H.; Russell, J.L. Jr.; Porter, J.T. II; McCorkl, K.H.; Roemer, T.S.; Sharp, Robert.

1976-01-01

A process is described for the thermochemical production of H 2 from water. HI 3 and H 2 SO 4 are prepared by chemical reaction between I 2 , SO 2 and H 2 O. Then HI 3 is heated and decomposed into H 2 and I 2 . The heat is produced by a nuclear reactor [fr

Natural gas usage as a heat source for integrated SMR and thermochemical hydrogen production technologies

International Nuclear Information System (INIS)

Jaber, O.; Naterer, G.F.; Dincer, I.

2010-01-01

This paper investigates various usages of natural gas (NG) as an energy source for different hydrogen production technologies. A comparison is made between the different methods of hydrogen production, based on the total amount of natural gas needed to produce a specific quantity of hydrogen, carbon dioxide emissions per mole of hydrogen produced, water requirements per mole of hydrogen produced, and a cost sensitivity analysis that takes into account the fuel cost, carbon dioxide capture cost and a carbon tax. The methods examined are the copper-chlorine (Cu-Cl) thermochemical cycle, steam methane reforming (SMR) and a modified sulfur-iodine (S-I) thermochemical cycle. Also, an integrated Cu-Cl/SMR plant is examined to show the unique advantages of modifying existing SMR plants with new hydrogen production technology. The analysis shows that the thermochemical Cu-Cl cycle out-performs the other conventional methods with respect to fuel requirements, carbon dioxide emissions and total cost of production. (author)

Thermochemical investigation of lithium-vanadium bronzes

International Nuclear Information System (INIS)

Filippova, S.E.; Kesler, Ya.A.; Tret'yakov, Yu.D.; Gordeev, I.V.

1979-01-01

A thermochemical investigation was carried out of lithium-vanadium bronzes. The enthalpies of solution and the standard enthalpies of formation of the bronzes β-Lisub(x)Vsub(2)Osub(5) were determined. Investigated was the dependence of the enthalpy of mixing bronzes on the composition; a linear character of the dependence evidences of negligibly small, as compared to the experimental error, energy variations of the matrix V 2 O 5 on introduction of lithium. The variation was calculated of the partial molar enthalpy of lithium in the formation of β-Lisub(x)Vsub(2)Osub(5)

Use of carbon dioxide as a reaction medium in the thermo-chemical process for the enhanced generation of syngas and tuning adsorption ability of biochar

International Nuclear Information System (INIS)

Cho, Dong-Wan; Kwon, Eilhann E.; Song, Hocheol

2016-01-01

Highlights: • Utilizing CO_2 as a reaction medium in thermo-chemical conversion of aquatic biomass. • Enhanced generation of syngas in the presence of CO_2. • Considerable reduction of pyrolytic oil in CO_2-assisted pyrolysis. • Generation of biochar with high surface area and more porous structure by CO_2. - Abstract: This study mechanistically investigated the influences of CO_2 on syngas (H_2 and CO) production during thermo-chemical conversion of red seaweed, and further explored the possible utility of the produced biochar as a medium for adsorption of inorganic/organic contaminants in aqueous phase. In order to elucidate the key roles of CO_2 in the thermo-chemical process, the composition analysis of syngas and the qualitative analysis of pyrolytic oil were conducted and compared with those in pyrolysis in N_2 condition. Pyrolysis of red seaweed in the presence of CO_2 led to the enhanced generation of syngas at the entire experimental temperatures. For example, the ratio of CO to H_2 in the presence of CO_2 at 620 °C was enhanced by ∼400%, as compared to the case in N_2. This enhanced generation of syngas resulted in significant pyrolytic oil reduction by ∼70% at 620 °C via the unknown reactions between VOCs and CO_2. In addition, biochar generated in the CO_2 environment exhibited comparatively higher surface area (61 m"2 g"−"1) and more porous structure. The morphological modification induced by CO_2 provided the favorable condition for removal of methylene blue from the aqueous phase. Thus, this study experimentally demonstrated that exploiting CO_2 as a reaction medium would provide an attractive option for the enhanced generation of syngas and the tuned adsorption capability of biochar.

Predictive calculation of phase formation in Al-rich Al-Zn-Mg-Cu-Sc-Zr alloys using a thermodynamic Mg-alloy database

International Nuclear Information System (INIS)

Groebner, J.; Rokhlin, L.L.; Dobatkina, T.V.; Schmid-Fetzer, R.

2007-01-01

Three series of Al-rich alloys in the system Al-Zn-Mg-Cu-Sc-Zr and the subsystems Al-Zn-Mg-Cu-Sc and Al-Zn-Mg-Sc were studied by thermodynamic calculations. Phase formation was compared with experimental data obtained by DTA and microstructural analysis. Calculated phase diagrams, phase amount charts and enthalpy charts together with non-equilibrium calculations under Scheil conditions reveal significant details of the complex phase formation. This enables consistent and correct interpretation of thermal analysis data. Especially the interpretation of liquidus temperature and primary phase is prone to be wrong without using this tool of computational thermodynamics. All data are predictions from a thermodynamic database developed for Mg-alloys and not a specialized Al-alloy database. That provides support for a reasonable application of this database for advanced Mg-alloys beyond the conventional composition ranges

Predictive calculation of phase formation in Al-rich Al-Zn-Mg-Cu-Sc-Zr alloys using a thermodynamic Mg-alloy database

Energy Technology Data Exchange (ETDEWEB)

Groebner, J. [Institute of Metallurgy, Clausthal University of Technology, Robert-Koch Strasse 42, D-38678 Clausthal-Zellerfeld (Germany); Rokhlin, L.L. [Baikov Institute of Metallurgy and Materials Science, Leninsky prosp. 49, 119991 GSP-1, Moscow (Russian Federation); Dobatkina, T.V. [Baikov Institute of Metallurgy and Materials Science, Leninsky prosp. 49, 119991 GSP-1, Moscow (Russian Federation); Schmid-Fetzer, R. [Institute of Metallurgy, Clausthal University of Technology, Robert-Koch Strasse 42, D-38678 Clausthal-Zellerfeld (Germany)]. E-mail: schmid-fetzer@tu-clausthal.de

2007-05-16

Three series of Al-rich alloys in the system Al-Zn-Mg-Cu-Sc-Zr and the subsystems Al-Zn-Mg-Cu-Sc and Al-Zn-Mg-Sc were studied by thermodynamic calculations. Phase formation was compared with experimental data obtained by DTA and microstructural analysis. Calculated phase diagrams, phase amount charts and enthalpy charts together with non-equilibrium calculations under Scheil conditions reveal significant details of the complex phase formation. This enables consistent and correct interpretation of thermal analysis data. Especially the interpretation of liquidus temperature and primary phase is prone to be wrong without using this tool of computational thermodynamics. All data are predictions from a thermodynamic database developed for Mg-alloys and not a specialized Al-alloy database. That provides support for a reasonable application of this database for advanced Mg-alloys beyond the conventional composition ranges.

Thermochemical instability effects in SiC-based fibers and SiC{sub f}/SiC composites

Energy Technology Data Exchange (ETDEWEB)

Youngblood, G.E.; Henager, C.H.; Jones, R.H. [Pacific Northwest National Laboratory, Richland, WA (United States)

1997-08-01

Thermochemical instability in irradiated SiC-based fibers with an amorphous silicon oxycarbide phase leads to shrinkage and mass loss. SiC{sub f}/SiC composites made with these fibers also exhibit mass loss as well as severe mechanical property degradation when irradiated at 800{degrees}C, a temperature much below the generally accepted 1100{degrees}C threshold for thermomechanical degradation alone. The mass loss is due to an internal oxidation mechanism within these fibers which likely degrades the carbon interphase as well as the fibers in SiC{sub f}/SiC composites even in so-called {open_quotes}inert{close_quotes} gas environments. Furthermore, the mechanism must be accelerated by the irradiation environment.

Thermo-Chemical Conversion of Microwave Activated Biomass Mixtures

Science.gov (United States)

Barmina, I.; Kolmickovs, A.; Valdmanis, R.; Vostrikovs, S.; Zake, M.

2018-05-01

Thermo-chemical conversion of microwave activated wheat straw mixtures with wood or peat pellets is studied experimentally with the aim to provide more effective application of wheat straw for heat energy production. Microwave pre-processing of straw pellets is used to provide a partial decomposition of the main constituents of straw and to activate the thermo-chemical conversion of wheat straw mixtures with wood or peat pellets. The experimental study includes complex measurements of the elemental composition of biomass pellets (wheat straw, wood, peat), DTG analysis of their thermal degradation, FTIR analysis of the composition of combustible volatiles entering the combustor, the flame temperature, the heat output of the device and composition of the products by comparing these characteristics for mixtures with unprocessed and mw pre-treated straw pellets. The results of experimental study confirm that mw pre-processing of straw activates the thermal decomposition of mixtures providing enhanced formation of combustible volatiles. This leads to improvement of the combustion conditions in the flame reaction zone, completing thus the combustion of volatiles, increasing the flame temperature, the heat output from the device, the produced heat energy per mass of burned mixture and decreasing at the same time the mass fraction of unburned volatiles in the products.

Screening analysis of solar thermochemical hydrogen concepts.

Energy Technology Data Exchange (ETDEWEB)

Diver, Richard B., Jr.; Kolb, Gregory J.

2008-03-01

A screening analysis was performed to identify concentrating solar power (CSP) concepts that produce hydrogen with the highest efficiency. Several CSP concepts were identified that have the potential to be much more efficient than today's low-temperature electrolysis technology. They combine a central receiver or dish with either a thermochemical cycle or high-temperature electrolyzer that operate at temperatures >600 C. The solar-to-hydrogen efficiencies of the best central receiver concepts exceed 20%, significantly better than the 14% value predicted for low-temperature electrolysis.

Thermochemical conversion of biomass storage covers to reduce ammonia emissions from dairy manure Thermochemical conversion of biomass storage covers to reduce ammonia emissions from dairy manure

Science.gov (United States)

Manure storages, and in particular those storing digested manure, are a source of ammonia (NH3) emissions. Permeable manure storage covers can reduce NH3 emissions, however performance can decline as they degrade. Thermochemical conversion of biomass through pyrolysis and steam treatment could incre...

Cascading pressure reactor and method for solar-thermochemical reactions

Science.gov (United States)

Ermanoski, Ivan

2017-11-14

Reactors and methods for solar thermochemical reactions are disclosed. The reactors and methods include a cascade of reduction chambers at successively lower pressures that leads to over an order of magnitude pressure decrease compared to a single-chambered design. The resulting efficiency gains are substantial, and represent an important step toward practical and efficient solar fuel production on a large scale.

Development of Human Face Literature Database Using Text Mining Approach: Phase I.

Science.gov (United States)

Kaur, Paramjit; Krishan, Kewal; Sharma, Suresh K

2018-06-01

The face is an important part of the human body by which an individual communicates in the society. Its importance can be highlighted by the fact that a person deprived of face cannot sustain in the living world. The amount of experiments being performed and the number of research papers being published under the domain of human face have surged in the past few decades. Several scientific disciplines, which are conducting research on human face include: Medical Science, Anthropology, Information Technology (Biometrics, Robotics, and Artificial Intelligence, etc.), Psychology, Forensic Science, Neuroscience, etc. This alarms the need of collecting and managing the data concerning human face so that the public and free access of it can be provided to the scientific community. This can be attained by developing databases and tools on human face using bioinformatics approach. The current research emphasizes on creating a database concerning literature data of human face. The database can be accessed on the basis of specific keywords, journal name, date of publication, author's name, etc. The collected research papers will be stored in the form of a database. Hence, the database will be beneficial to the research community as the comprehensive information dedicated to the human face could be found at one place. The information related to facial morphologic features, facial disorders, facial asymmetry, facial abnormalities, and many other parameters can be extracted from this database. The front end has been developed using Hyper Text Mark-up Language and Cascading Style Sheets. The back end has been developed using hypertext preprocessor (PHP). The JAVA Script has used as scripting language. MySQL (Structured Query Language) is used for database development as it is most widely used Relational Database Management System. XAMPP (X (cross platform), Apache, MySQL, PHP, Perl) open source web application software has been used as the server.The database is still under the

Communication: The electronic entropy of charged defect formation and its impact on thermochemical redox cycles

Science.gov (United States)

Lany, Stephan

2018-02-01

The ideal material for solar thermochemical water splitting, which has yet to be discovered, must satisfy stringent conditions for the free energy of reduction, including, in particular, a sufficiently large positive contribution from the solid-state entropy. By inverting the commonly used relationship between defect formation energy and defect concentration, it is shown here that charged defect formation causes a large electronic entropy contribution manifesting itself as the temperature dependence of the Fermi level. This result is a general feature of charged defect formation and motivates new materials design principles for solar thermochemical hydrogen production.

Lifecycle assessment of microalgae to biofuel: Comparison of thermochemical processing pathways

International Nuclear Information System (INIS)

Bennion, Edward P.; Ginosar, Daniel M.; Moses, John; Agblevor, Foster; Quinn, Jason C.

2015-01-01

Highlights: • Well to pump environmental assessment of two thermochemical processing pathways. • NER of 1.23 and GHG emissions of −11.4 g CO 2-eq (MJ) −1 for HTL pathway. • HTL represents promising conversion pathway based on use of wet biomass. • NER of 2.27 and GHG emissions of 210 g CO 2-eq (MJ) −1 for pyrolysis pathway. • Pyrolysis pathway: drying microalgae feedstock dominates environmental impact. - Abstract: Microalgae is being investigated as a renewable transportation fuel feedstock based on various advantages that include high annual yields, utilization of poor quality land, does not compete with food, and can be integrated with various waste streams. This study focuses on directly assessing the environmental impact of two different thermochemical conversion technologies for the microalgae-to-biofuel process through life cycle assessment. A system boundary of “well to pump” (WTP) is defined and includes sub-process models of the growth, dewatering, thermochemical bio-oil recovery, bio-oil stabilization, conversion to renewable diesel, and transport to the pump. Models were validated with experimental and literature data and are representative of an industrial-scale microalgae-to-biofuel process. Two different thermochemical bio-oil conversion systems are modeled and compared on a systems level, hydrothermal liquefaction (HTL) and pyrolysis. The environmental impact of the two pathways were quantified on the metrics of net energy ratio (NER), defined here as energy consumed over energy produced, and greenhouse gas (GHG) emissions. Results for WTP biofuel production through the HTL pathway were determined to be 1.23 for the NER and GHG emissions of −11.4 g CO 2-eq (MJ renewable diesel) −1 . Biofuel production through the pyrolysis pathway results in a NER of 2.27 and GHG emissions of 210 g CO 2-eq (MJ renewable diesel) −1 . The large environmental impact associated with the pyrolysis pathway is attributed to feedstock drying

On the thermo-chemical origin of the stratified region at the top of the Earth's core

Science.gov (United States)

Nakagawa, Takashi

2018-03-01

I developed a combined model of the thermal and chemical evolution of the Earth's core and investigated its influence on a thermochemically stable region beneath the core-mantle boundary (CMB). The chemical effects of the growing stable region are caused by the equilibrium chemical reaction between silicate and the metallic core. The thermal effects can be characterized by the growth of the sub-isentropic shell, which may have a rapid growth rate compared to that of the chemically stable region. When the present-day CMB heat flow was varied, the origin of the stable region changed from chemical to thermochemical to purely thermal because the rapid growth of the sub-isentropic shell can replace the chemically stable region. Physically reasonable values of the present-day CMB heat flow that can maintain the geodynamo action over 4 billion years should be between 8 and 11 TW. To constrain the thickness of the thermochemically stable region beneath the CMB, the chemical diffusivity is important and should be ∼O(10-8) m2/s to obtain a thickness of the thermochemically stable region beneath the CMB consistent with that inferred from geomagnetic secular variations (140 km). However, the strength of the stable region found in this study is too high to be consistent with the constraint on the stability of the stable region inferred from geomagnetic secular variations.

Haemolytic activity of uranium compounds haemolysis by thermochemical derivatives of ammonium uranate

International Nuclear Information System (INIS)

Stuart, W.I.; Tucker, A.D.; Adams, R.B.

1975-01-01

A study has been made of the haemolytic action on human erythrocytes by ammonium uranate (AU) and various thermochemical products of AU. These products were obtained by heating AU in hydrogen at 5 0 C min -1 to various temperatures. Haemolysis has been interpreted in terms of a diffusion model which for each product yields a single parameter Ksub(N), the haemolytic activity factor. The magnitude of Ksub(N) is a convenient measure of the ability of a powder to damage erythrocytes. The haemolytic activity of certain thermochemical derivatives indicates an exceptionally high potential for damage to erythrocytes. Infrared and thermoanalytical measurements have shown that the high activity of these products derives principally from a self-reduction reaction, induced by heating AU to 400-420 0 C in hydrogen. (author)

Development of a Thermo-chemical Non-equilibrium Solver for Hypervelocity Flows

Science.gov (United States)

Balasubramanian, R.; Anandhanarayanan, K.

2015-04-01

In the present study, a three dimensional flowsolver is indigenously developed to numerically simulate hypervelocity thermal and chemical non equilibrium reactive air flow past flight vehicles. The two-temperature, five species, seventeen reactions, thermo-chemical non equilibrium, non-ionizing, air-chemistry model of Park is implemented in a compressible viscous code CERANS and solved in the finite volume framework. The energy relaxation is addressed by a conservation equation for the vibrational energy of the gas mixture resulting in the evaluation of its vibrational temperature. The AUSM-PW+ numerical flux function has been used for modeling the convective fluxes and a central differencing approximation is used for modeling the diffusive fluxes. The flowsolver had been validated for specifically chosen test cases with inherent flow complexities of non-ionizing hypervelocity thermochemical nonequilibrium flows and results obtained are in good agreement with results available in open literature.

Hydrogen Production From Water By Thermo-Chemical Methods (UT-3): Evaluation of Side Reactions By Simulation Process

International Nuclear Information System (INIS)

Rusli, A.

1997-01-01

Hydogen fuel with its advantages will be able to replace all the positions of fossil fuels post o il and gas or migas . Among the advantages of hydrogen fuel are pollution free, abundant of raw material in the form of water molecule, flexible in application, able to stroge and transport as well as fossil energy sources (oil and gas). Hydogen could be produced from water by means of thermochemical, thermolysis, photolysis and electrolysis. Nuclear heat (HTGR), solar heat or waste heat from steel industry can be used as energy source for these processes. In case of thermochemical method, some problems realated to production process should be studied and evaluated. Simulation is considered can be applied to study the effects of side reactions and also to resolve its problems in hydrogen production process. In this paper is reported the evalution results of hydrogen production process by thermochemical (UT-3) through both of the experimental and computer simulation. It has been proposed a new flow chart of hydrogen production to achieve the hydrogen production continuously. A simulator has been developed based on experimental data and related mathematical equations. This simulator can be used to scle-up the UT-3 thermochemical cycle for hydrogen production process

Solar hydrogen project - Thermochemical process design

Energy Technology Data Exchange (ETDEWEB)

Allen, D.J.; Ng, L.F.; Rao, M.S.M.; Wu, S.F.; Zoschak, R.J.

1984-08-01

The thermochemical decomposition of water using solar energy offers an elegant way of combining solar and chemical technologies to produce a high quality fuel. The DOE has sponsored Foster Wheeler to develop a process design for a solar water-splitting process based on the sulfuric acid/iodine cycle. The study has centered around the design of a sulfuric acid decomposition reactor and the central receiver. Materials' properties impose severe constraints upon the design of decomposition reactor. In this paper, the constraints imposed on the design are specified and a reactor and receiver design is presented together with a preliminary design of the balance of plant.

Syngas Production By Thermochemical Conversion Of H2o And Co2 Mixtures Using A Novel Reactor Design

Energy Technology Data Exchange (ETDEWEB)

Pearlman, Howard [Advanced Cooling Technologies, Inc, Lancaster, PA (United States); Chen, Chien-Hua [Advanced Cooling Technologies, Inc, Lancaster, PA (United States)

2014-08-27

The Department of Energy awarded Advanced Cooling Technologies, Inc. (ACT) an SBIR Phase II contract (#DE-SC0004729) to develop a high-temperature solar thermochemical reactor for syngas production using water and/or carbon dioxide as feedstocks. The technology aims to provide a renewable and sustainable alternative to fossil fuels, promote energy independence and mitigate adverse issues associated with climate change by essentially recycling carbon from carbon dioxide emitted by the combustion of hydrocarbon fuels. To commercialize the technology and drive down the cost of solar fuels, new advances are needed in materials development and reactor design, both of which are integral elements in this program.

Database design using entity-relationship diagrams

CERN Document Server

Bagui, Sikha

2011-01-01

Data, Databases, and the Software Engineering ProcessDataBuilding a DatabaseWhat is the Software Engineering Process?Entity Relationship Diagrams and the Software Engineering Life Cycle          Phase 1: Get the Requirements for the Database          Phase 2: Specify the Database          Phase 3: Design the DatabaseData and Data ModelsFiles, Records, and Data ItemsMoving from 3 × 5 Cards to ComputersDatabase Models     The Hierarchical ModelThe Network ModelThe Relational ModelThe Relational Model and Functional DependenciesFundamental Relational DatabaseRelational Database and SetsFunctional

Efficiency of the sulfur-iodine thermochemical water splitting process for hydrogen production based on ADS

International Nuclear Information System (INIS)

Gonzalez, D.; Garcia, L.; Garcia, C.; Garcia, L.; Brayner, C.

2013-01-01

The current hydrogel production is based on fossil fuels; they have a huge contribution to the atmosphere's pollution. thermochemical water splitting cycles don't present this issue because the required process heat is obtained from nuclear energy and therefore, the environmental impact is smaller than using conventional fuels. One of the promising approaches to produce large quantities of hydrogen in an efficient way using nuclear energy is the sulfur-iodine (S-I) thermochemical water splitting cycle. The nuclear source proposed in this paper is a pebble bed gas cooled transmutation facility. Pebble bed very high temperature advanced systems have great perspectives to assume the future nuclear energy. Software based on Chemical Process Simulation (CPS) can be used to simulate the thermochemical water splitting sulfur-iodine cycle for hydrogen production. In this paper, a model for analyzing the sulfur-iodine process sensibility is developed. Efficiency is also calculated and the influence of different parameters on this value. The behavior of the proposed model before different values of initial reactant's flow is analyzed. (Author)

Development of hydraulic analysis code for optimizing thermo-chemical is process reactors

International Nuclear Information System (INIS)

Terada, Atsuhiko; Hino, Ryutaro; Hirayama, Toshio; Nakajima, Norihiro; Sugiyama, Hitoshi

2007-01-01

The Japan Atomic Energy Agency has been conducting study on thermochemical IS process for water splitting hydrogen production. Based on the test results and know-how obtained through the bench-scale test, a pilot test plant, which has a hydrogen production performance of 30 Nm 3 /h, is being designed conceptually as the next step of the IS process development. In design of the IS pilot plant, it is important to make chemical reactors compact with high performance from the viewpoint of plant cost reduction. A new hydraulic analytical code has been developed for optimizing mixing performance of multi-phase flow involving chemical reactions especially in the Bunsen reactor. Complex flow pattern with gas-liquid chemical interaction involving flow instability will be characterized in the Bunsen reactor. Preliminary analytical results obtained with above mentioned code, especially flow patterns induced by swirling flow agreed well with that measured by water experiments, which showed vortex breakdown pattern in a simplified Bunsen reactor. (author)

Observations of Circumstellar Thermochemical Equilibrium: The Case of Phosphorus

Science.gov (United States)

Milam, Stefanie N.; Charnley, Steven B.

2011-01-01

We will present observations of phosphorus-bearing species in circumstellar envelopes, including carbon- and oxygen-rich shells 1. New models of thermochemical equilibrium chemistry have been developed to interpret, and constrained by these data. These calculations will also be presented and compared to the numerous P-bearing species already observed in evolved stars. Predictions for other viable species will be made for observations with Herschel and ALMA.

Biomass Program 2007 Program Peer Review - Thermochemical Conversion Platform Summary

Energy Technology Data Exchange (ETDEWEB)

none,

2009-10-27

This document discloses the comments provided by a review panel at the U.S. Department of Energy Office of the Biomass Program Peer Review held on November 15-16, 2007 in Baltimore, MD and the Biomass Program Peer Review for the Thermochemical Platform, held on July 9th and 10th in Golden, Colorado.

Balance and saving of GHG emissions in thermochemical biorefineries

International Nuclear Information System (INIS)

Haro, Pedro; Aracil, Cristina; Vidal-Barrero, Fernando; Ollero, Pedro

2015-01-01

Highlights: • A simplified methodology for the balance and saving of GHG emissions is provided. • The GHG balance has a physical meaning and does not depend on the fossil reference. • The GHG saving depends on regulation of energy carriers. • The impact of Bio-CCS incorporation and multiproduction is analyzed. • The co-production of chemicals needs to be included in future regulation. - Abstract: In this study, a simplified methodology for the calculation of the balance of greenhouse gas (GHG) emissions and corresponding saving compared with the fossil reference is presented. The proposed methodology allows the estimation of the anthropogenic GHG emissions of thermochemical biorefineries (net emitted to the atmosphere). In the calculation of the GHG balance, all relevant factors have been identified and analyzed including multiproduction, emissions from biogenic carbon capture and storage (Bio-CCS), co-feeding of fossil fuels (secondary feedstock) and possible carbon storage in biomass-derived products (chemicals). Therefore, it is possible to calculate the balance of GHG emissions of a hypothetical thermochemical biorefinery considering different alternatives of land-use, biomass feedstock, co-feeding of fossil fuels, Bio-CCS incorporation and final use of the products. The comparison of the estimated GHG balance with the corresponding fossil reference for each product is of special relevance in the methodology since it is the parameter used in European regulation for the fulfillment of sustainability criteria in biomass-derived fuels and liquids. The proposed methodology is tested using a previously assessed set of different process concepts of thermochemical biorefineries (techno-economic analysis). The resulting GHG balance and saving are analyzed to identify uncertainties and provide recommendations for future regulation. In all process concepts, the GHG savings are above the minimum requirement of GHG emissions for 2018. In the case of incorporating

Energy balance calculations and assessment of two thermochemical sulfur cycles

International Nuclear Information System (INIS)

Leger, D.; Lessart, P.; Manaud, J.P.; Benizri, R.; Courvoisier, P.

1978-01-01

Thermochemical cyclic processes which include the highly endothermal decomposition of sulphuric acid are promising for hydrogen production by water-splitting. Our study is directed toward two cycles of this family, each involving the formation and decomposition of sulphuric acid and including other reactions using iron sulphide for the first and oxides and bromides of copper and magnesium for the second. Thermochemical analyses of the two cycles are undertaken. Thermodynamic studies of the reactions are carried out, taking into account possible side-reactions. The concentration of reactants, products and by-products resulting from simultaneous equilibria are calculated, the problems of separation thoroughly studied and the flow-diagrams of the processes drawn up. Using as heat source the helium leaving a 3000 MWth high temperature nuclear reactor and organizing internal heat exchange the enthalpy diagrams are drawn up and the net energy balances evaluated. The overall thermal efficiencies are about 28%, a value corresponding to non-optimized process schemes. Possible improvements aiming at energy-saving and increased efficiency are indicated

Synfuels from fusion: producing hydrogen with the tandem mirror reactor and thermochemical cycles

International Nuclear Information System (INIS)

Ribe, F.L.; Werner, R.W.

1981-01-01

This report examines, for technical merit, the combination of a fusion reactor driver and a thermochemical plant as a means for producing synthetic fuel in the basic form of hydrogen. We studied: (1) one reactor type - the Tandem Mirror Reactor - wishing to use to advantage its simple central cell geometry and its direct electrical output; (2) two reactor blanket module types - a liquid metal cauldron design and a flowing Li 2 O solid microsphere pellet design so as to compare the technology, the thermal-hydraulics, neutronics and tritium control in a high-temperature operating mode (approx. 1200 K); (3) three thermochemical cycles - processes in which water is used as a feedstock along with a high-temperature heat source to produce H 2 and O 2

A review on the properties of salt hydrates for thermochemical storage

NARCIS (Netherlands)

Trausel, F.; Jong, A.J. de; Cuypers, R.

2014-01-01

Solar energy is capable of supplying enough energy to answer the total demand of energy in dwellings. However, because of the discrepancy between energy supply and energy demand, an efficient way of storing thermal energy is crucial. Thermochemical storage of heat in salt hydrates provides an

Thermochemical nonequilibrium analysis of O2+Ar based on state-resolved kinetics

International Nuclear Information System (INIS)

Kim, Jae Gang; Boyd, Iain D.

2015-01-01

Highlights: • Thermochemical nonequilibrium studies for three lowest lying electronic states of O 2 . • The complete sets of the rovibrational state-to-state transition rates of O 2 +Ar. • Rovibrational relaxations and coupled chemical reactions of O 2 . • Nonequilibrium reaction rates of O 2 derived from the quasi-steady state assumption. - Abstract: The thermochemical nonequilibrium of the three lowest lying electronic states of molecular oxygen, O 2 (X 3 Σ g - ,a 1 Δ g ,b 1 Σ g + ), through interactions with argon is studied in the present work. The multi-body potential energy surfaces of O 2 +Ar are evaluated from the semi-classical RKR potential of O 2 in each electronic state. The rovibrational states and energies of each electronic state are calculated by the quantum mechanical method based on the present inter-nuclear potential of O 2 . Then, the complete sets of the rovibrational state-to-state transition rate coefficients of O 2 +Ar are calculated by the quasi-classical trajectory method including the quasi-bound states. The system of master equations constructed by the present state-to-state transition rate coefficients are solved to analyze the thermochemical nonequilibrium of O 2 +Ar in various heat bath conditions. From these studies, it is concluded that the vibrational relaxation and coupled chemical reactions of each electronic state needs to be treated as a separate nonequilibrium process, and rotational nonequilibrium needs to be considered at translational temperatures above 10,000 K

Hydrogen production system based on high temperature gas cooled reactor energy using the sulfur-iodine (SI) thermochemical water splitting cycle

International Nuclear Information System (INIS)

Garcia, L.; Gonzalez, D.

2011-01-01

Hydrogen production from water using nuclear energy offers one of the most attractive zero-emission energy strategies and the only one that is practical on a substantial scale. Recently, strong interest is seen in hydrogen production using heat of a high-temperature gas-cooled reactor. The high-temperature characteristics of the modular helium reactor (MHR) make it a strong candidate for producing hydrogen using thermochemical or high-temperature electrolysis (HTE) processes. Eventually it could be also employ a high-temperature gas-cooled reactor (HTGR), which is particularly attractive because it has unique capability, among potential future generation nuclear power options, to produce high-temperature heat ideally suited for nuclear-heated hydrogen production. Using heat from nuclear reactors to drive a sulfur-iodine (SI) thermochemical hydrogen production process has been interest of many laboratories in the world. One of the promising approaches to produce large quantity of hydrogen in an efficient way using the nuclear energy is the sulfur-iodine (SI) thermochemical water splitting cycle. Among the thermochemical cycles, the sulfur iodine process remains a very promising solution in matter of efficiency and cost. This work provides a pre-conceptual design description of a SI-Based H2-Nuclear Reactor plant. Software based on chemical process simulation (CPS) was used to simulate the thermochemical water splitting cycle Sulfur-Iodine for hydrogen production. (Author)

Initial Screening of Thermochemical Water-Splitting Cycles for High Efficiency Generation of Hydrogen Fuels Using Nuclear Power

International Nuclear Information System (INIS)

Brown, L.C.; Funk, J.F.; Showalter, S.K.

1999-01-01

OAK B188 Initial Screening of Thermochemical Water-Splitting Cycles for High Efficiency Generation of Hydrogen Fuels Using Nuclear Power There is currently no large scale, cost-effective, environmentally attractive hydrogen production process, nor is such a process available for commercialization. Hydrogen is a promising energy carrier, which potentially could replace the fossil fuels used in the transportation sector of our economy. Fossil fuels are polluting and carbon dioxide emissions from their combustion are thought to be responsible for global warming. The purpose of this work is to determine the potential for efficient, cost-effective, large-scale production of hydrogen utilizing high temperature heat from an advanced nuclear power station. Almost 800 literature references were located which pertain to thermochemical production of hydrogen from water and over 100 thermochemical watersplitting cycles were examined. Using defined criteria and quantifiable metrics, 25 cycles have been selected for more detailed study

Investigation of the photoluminescence properties of thermochemically synthesized CdS nanocrystals

Directory of Open Access Journals (Sweden)

M. Molaei

2011-03-01

Full Text Available In this work we have synthesized CdS nanocrystals with thermochemical method. CdSO4 and Na2S2O3 were used as the precursors and thioglycolic acid (TGA was used as capping agent molecule. The structure and optical property of the nanocrystals were characterized by means of XRD, TEM, UV-visible optical spectroscopy and photoluminescence (PL. X-ray diffraction (XRD and TEM analyses demonstrated hexagonal phase CdS nanocrystals with an average size around 2 nm. Synthesized nanocrystals exhibited band gap of about 3.2 eV and showed a broad band emission from 400-750 nm centered at 504 nm with a (0.27, 0.39 CIE coordinate. This emission can be attributed to recombination of an electron in conduction band with a hole trapped in Cd vacancies near to the valance band of CdS. The best attained photoluminescence quantum yield of the nanocrystals was about 12%, this amount is about 20 times higher than that for thioglycerol (TG capped CdS nanocrystals.

Exergy analysis of thermochemical ethanol production via biomass gasification and catalytic synthesis

NARCIS (Netherlands)

van der Heijden, H.H.J.L.; Ptasinski, K.J.

2012-01-01

In this paper an exergy analysis of thermochemical ethanol production from biomass is presented. This process combines a steam-blown indirect biomass gasification of woody feedstock, with a subsequent conversion of produced syngas into ethanol. The production process involves several process

Thermochemical Erosion Modeling of the 25-MM M242/M791 Gun System

National Research Council Canada - National Science Library

Sopok, Samuel

1997-01-01

The MACE gun barrel thermochemical erosion modeling code addresses wall degradations due to transformations, chemical reactions, and cracking coupled with pure mechanical erosion for the 25-mm M242/M791 gun system...

An overview of renewable hydrogen production from thermochemical process of oil palm solid waste in Malaysia

International Nuclear Information System (INIS)

Hosseini, Seyed Ehsan; Wahid, Mazlan Abdul; Ganjehkaviri, A.

2015-01-01

Highlights: • 40% of energy demand of Malaysia could be supplied by thermochemical process of PSR. • SCWG of PSR is preferable thermochemical process due to char and tar elimination. • Potential of H 2 production from SCWG of PSR is 1.05 × 10 10 kgH 2 per year in Malaysia. • Highly moisturized PSR could be used in hydrogen production by SCWG process. - Abstract: Hydrogen is one of the most promising energy carriers for the future of the world due to its tremendous capability of pollution reduction. Hydrogen utilization is free of toxic gases formation as well as carbon dioxide (CO 2 ) emission. Hydrogen production can be implemented using a wide variety of resources including fossil fuels, nuclear energy and renewable and sustainable energy (RSE). Amongst various RSE resources, biomass has great capacity to be employed for renewable hydrogen production. Hydrogen production from palm solid residue (PSR) via thermochemical process is a perfect candidate for waste-to-well strategy in palm oil mills in Malaysia. In this paper, various characteristics of hydrogen production from thermochemical process of PSR includes pyrolysis and gasification are reviewed. The annual oil palm fruits production in Malaysia is approximately 100 million tonnes which the solid waste of the fruits is capable to generate around 1.05 × 10 10 kgH 2 (1.26 EJ) via supercritical water gasification (SCWG) process. The ratio of energy output to energy input of SCWG process of PSR is about 6.56 which demonstrates the priority of SCWG to transform the energy of PSR into a high energy end product. The high moisture of PSR which is the most important barrier for its direct combustion, emerges as an advantage in thermochemical reactions and highly moisturized PSR (even more than 50%) is utilized directly in SCWG without application of any high cost drying process. Implementation of appropriate strategies could lead Malaysia to supply about 40% of its annual energy demand by hydrogen yield from

Solar Thermochemical Hydrogen Production Research (STCH)

Energy Technology Data Exchange (ETDEWEB)

Perret, Robert [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

2011-05-01

Eight cycles in a coordinated set of projects for Solar Thermochemical Cycles for Hydrogen production (STCH) were self-evaluated for the DOE-EERE Fuel Cell Technologies Program at a Working Group Meeting on October 8 and 9, 2008. This document reports the initial selection process for development investment in STCH projects, the evaluation process meant to reduce the number of projects as a means to focus resources on development of a few most-likely-to-succeed efforts, the obstacles encountered in project inventory reduction and the outcomes of the evaluation process. Summary technical status of the projects under evaluation is reported and recommendations identified to improve future project planning and selection activities.

Research, Development, and Field Testing of Thermochemical Recuperation for High Temperature Furnace

Energy Technology Data Exchange (ETDEWEB)

Kurek, Harry; Kozlov, Aleksandr

2014-03-31

Gas Technology Institute (GTI) evaluated the technical and economic feasibility of utilizing a non-catalytic ThermoChemical Recuperation System (TCRS) to recover a significant amount of energy from the waste gases of natural gas fired steel reheat furnaces. The project was related to DOE-AMO’s (formerly known as ITP) one of the technical areas of interest: Technologies to improve energy efficiency and reduce the carbon footprint of equipment currently used in energy-intensive industries such as iron and steel, and reduce by at least 30% energy consumption and carbon dioxide emission compared to the conventional technologies. ThermoChemical Recuperation (TCR) is a technique that recovers sensible heat in the exhaust gas from an industrial process, furnace, engine etc., when a hydrocarbon fuel is used for combustion. TCR enables waste heat recovery by both combustion air preheat and hydrocarbon fuel (natural gas, for example) reforming into a higher calorific fuel. The reforming process uses hot flue gas components (H2O and CO2) or steam to convert the fuel into a combustible mixture of hydrogen (H2), carbon monoxide (CO), and some unreformed hydrocarbons (CnHm). Reforming of natural gas with recycled exhaust gas or steam can significantly reduce fuel consumption, CO2 emissions and cost as well as increase process thermal efficiency. The calorific content of the fuel can be increased by up to ~28% with the TCR process if the original source fuel is natural gas. In addition, the fuel is preheated during the TCR process adding sensible heat to the fuel. The Research and Development work by GTI was proposed to be carried out in three Phases (Project Objectives). • Phase I: Develop a feasibility study consisting of a benefits-derived economic evaluation of a ThermoChemical Recuperation (TCR) concept with respect to high temperature reheat furnace applications within the steel industry (and cross-cutting industries). This will establish the design parameters and

Conceptual design of SO3 decomposer for thermo-chemical iodine-sulfur process pilot plant

International Nuclear Information System (INIS)

Akihiro Kanagawa; Seiji Kasahara; Atsuhiko Terada; Shinji Kubo; Ryutaro Hino; Yoshiyuki Kawahara; Masaharu Watabe; Hiroshi Fukui; Kazuo Ishino; Toshio Takahashi

2005-01-01

Thermo-chemical water-splitting cycle is a method to make an effective use of the high temperature nuclear heat for hydrogen production. Japan Atomic Energy Research Institute (JAERI) has been conducting R and D on HTGR and also on thermo-chemical hydrogen production by using a thermo-chemical iodine-sulfur cycle (IS process). Based on the test results and know-how obtained through a bench-scale tests of hydrogen production of about 30 NL/hr, JAERI has a plan to construct a pilot test plant heated by high temperature helium gas, which has a hydrogen production performance of 30 Nm 3 /hr and will be operated under the high pressure up to 2 MPa. One of the key components of the pilot test plant is a SO 3 decomposer under high temperature conditions up to 850 degree C and high pressure up to 2 MPa. In this paper, a concept of the SO 3 decomposer for the pilot test plant fabricated with SiC ceramics, a corrosion-resistant material is investigated. Preliminary analyses on temperature and flow-rate distributions in the SO 3 decomposer and on thermal stress were carried out. A SO 3 decomposer model was experimentally manufactured. (authors)

Revisiting the BaO2/BaO redox cycle for solar thermochemical energy storage.

Science.gov (United States)

Carrillo, A J; Sastre, D; Serrano, D P; Pizarro, P; Coronado, J M

2016-03-21

The barium peroxide-based redox cycle was proposed in the late 1970s as a thermochemical energy storage system. Since then, very little attention has been paid to such redox couples. In this paper, we have revisited the use of reduction-oxidation reactions of the BaO2/BaO system for thermochemical heat storage at high temperatures. Using thermogravimetric analysis, reduction and oxidation reactions were studied in order to find the main limitations associated with each process. Furthermore, the system was evaluated through several charge-discharge stages in order to analyse its possible degradation after repeated cycling. Through differential scanning calorimetry the heat stored and released were also determined. Oxidation reaction, which was found to be slower than reduction, was studied in more detail using isothermal tests. It was observed that the rate-controlling step of BaO oxidation follows zero-order kinetics, although at high temperatures a deviation from Arrhenius behaviour was observed probably due to hindrances to anionic oxygen diffusion caused by the formation of an external layer of BaO2. This redox couple was able to withstand several redox cycles without deactivation, showing reaction conversions close to 100% provided that impurities are previously eliminated through thermal pre-treatment, demonstrating the feasibility of this system for solar thermochemical heat storage.

Thermochemical Properties of the 1-Ethyl-3-Methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid under Conditions of Equilibrium with Atmospheric Moisture

Science.gov (United States)

Ramenskaya, L. M.; Grishina, E. P.; Kudryakova, N. O.

2018-01-01

Thermochemical properties of the 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide ionic liquid [EMim]NTf2 containing moisture absorbed from the atmosphere (0.242 wt %) are investigated. The phase behavior and thermal stability relative to salt dried in vacuum are studied by means of thermogravimetry and differential scanning calorimetry at different heating and cooling rates. The glass transition, crystallization, and melting temperatures, the enthalpies of phase transitions, and the changes in heat capacity during the formation of glass are determined. It is established that the absorbed water crystallizes at a temperature of around -40.6°C and has virtually no effect on the thermal stability and phase behavior of the salt. Rapid cooling results in the ionic liquid transitioning into the glass state at -91.7 °C and the formation of three mesophases with different melting temperatures; one crystalline modification that melts at a temperature of -19.3°C forms upon slow cooling.

Modelling of phase diagrams and thermodynamic properties using Calphad method – Development of thermodynamic databases

Czech Academy of Sciences Publication Activity Database

Kroupa, Aleš

2013-01-01

Roč. 66, JAN (2013), s. 3-13 ISSN 0927-0256 R&D Projects: GA MŠk(CZ) OC08053 Institutional support: RVO:68081723 Keywords : Calphad method * phase diagram modelling * thermodynamic database development Subject RIV: BJ - Thermodynamics Impact factor: 1.879, year: 2013

Chemical engineering challenges in driving thermochemical hydrogen processes with the tandem mirror reactor

International Nuclear Information System (INIS)

Galloway, T.R.; Werner, R.W.

1980-01-01

The Tandem Mirror Reactor is described and compared with Tokamaks, both from a basic physics viewpoint and from the suitability of the respective reactor for synfuel production. Differences and similarities between the TMR as an electricity producer or a synfuel producer are also cited. The Thermochemical cycle chosen to link with the fusion energy source is the General Atomic Sulfur-Iodine Cycle, which is a purely thermal-driven process with no electrochemical steps. There are real chemical engineering challenges of getting this high quality heat into the large thermochemical plant in an efficient manner. We illustrate with some of our approaches to providing process heat via liquid sodium to drive a 1050 K, highly-endothermic, catalytic and fluidized-bed SO 3 Decomposition Reactor. The technical, economic, and safety tradeoffs that arise are discussed

Phase equilibrium study on system uranium-plutonium-tungsten-carbon

International Nuclear Information System (INIS)

Ugajin, Mitsuhiro

1976-11-01

Metallurgical properties of the U-Pu-W-C system have been studied with emphasis on phases and reactions. Free energy of compound formation, carbon activity and U/Pu segregation in the W-doped carbide fuel are estimated using phase diagram data. The results indicate that tungsten metal is useful as a thermochemical stabilizer of the carbide fuel. Tungsten has high temperature stability in contact with uranium carbide and mixed uranium-plutonium carbide. (auth.)

Cyclic thermochemical process for producing hydrogen using cerium-titanium compounds

Science.gov (United States)

Bamberger, C.E.

A thermochemical cyclic process for producing hydrogen employs the reaction between ceric oxide and titanium dioxide to form cerium titanate and oxygen. The titanate is treated with an alkali metal hydroxide to give hydrogen, ceric oxide, an alkali metal titanate and water. Alkali metal titanate and water are boiled to give titanium dioxide which, along with ceric oxide, is recycled.

Materials-Related Aspects of Thermochemical Water and Carbon Dioxide Splitting: A Review

Directory of Open Access Journals (Sweden)

Robert Pitz-Paal

2012-10-01

Full Text Available Thermochemical multistep water- and CO2-splitting processes are promising options to face future energy problems. Particularly, the possible incorporation of solar power makes these processes sustainable and environmentally attractive since only water, CO2 and solar power are used; the concentrated solar energy is converted into storable and transportable fuels. One of the major barriers to technological success is the identification of suitable active materials like catalysts and redox materials exhibiting satisfactory durability, reactivity and efficiencies. Moreover, materials play an important role in the construction of key components and for the implementation in commercial solar plants. The most promising thermochemical water- and CO2-splitting processes are being described and discussed with respect to further development and future potential. The main materials-related challenges of those processes are being analyzed. Technical approaches and development progress in terms of solving them are addressed and assessed in this review.

High Efficiency Solar Thermochemical Reactor for Hydrogen Production.

Energy Technology Data Exchange (ETDEWEB)

McDaniel, Anthony H. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

2017-09-30

This research and development project is focused on the advancement of a technology that produces hydrogen at a cost that is competitive with fossil-based fuels for transportation. A twostep, solar-driven WS thermochemical cycle is theoretically capable of achieving an STH conversion ratio that exceeds the DOE target of 26% at a scale large enough to support an industrialized economy [1]. The challenge is to transition this technology from the laboratory to the marketplace and produce hydrogen at a cost that meets or exceeds DOE targets.

KALIMER database development (database configuration and design methodology)

International Nuclear Information System (INIS)

Jeong, Kwan Seong; Kwon, Young Min; Lee, Young Bum; Chang, Won Pyo; Hahn, Do Hee

2001-10-01

KALIMER Database is an advanced database to utilize the integration management for Liquid Metal Reactor Design Technology Development using Web Applicatins. KALIMER Design database consists of Results Database, Inter-Office Communication (IOC), and 3D CAD database, Team Cooperation system, and Reserved Documents, Results Database is a research results database during phase II for Liquid Metal Reactor Design Technology Develpment of mid-term and long-term nuclear R and D. IOC is a linkage control system inter sub project to share and integrate the research results for KALIMER. 3D CAD Database is s schematic design overview for KALIMER. Team Cooperation System is to inform team member of research cooperation and meetings. Finally, KALIMER Reserved Documents is developed to manage collected data and several documents since project accomplishment. This report describes the features of Hardware and Software and the Database Design Methodology for KALIMER

Neutralization and Acid Dissociation of Hydrogen Carbonate Ion: A Thermochemical Approach

Science.gov (United States)

Koga, Nobuyoshi; Shigedomi, Kana; Kimura, Tomoyasu; Tatsuoka, Tomoyuki; Mishima, Saki

2013-01-01

A laboratory inquiry into the thermochemical relationships in the reaction between aqueous solutions of NaHCO[subscript 3] and NaOH is described. The enthalpy change for this reaction, delta[subscript r]H, and that for neutralization of strong acid and NaOH(aq), delta[subscript n]H, are determined calorimetrically; the explanation for the…

The Northwest Infrared (NWIR) gas-phase spectral database of industrial and environmental chemicals: Recent updates

Energy Technology Data Exchange (ETDEWEB)

Brauer, Carolyn S.; Johnson, Timothy J.; Blake, Thomas A.; Sharpe, Steven W.; Sams, Robert L.; Tonkyn, Russell G.

2014-05-22

With continuing improvements in both standoff- and point-sensing techniques, there is an ongoing need for high-quality infrared spectral databases. The Northwest Infrared Database (NWIR) contains quantitative, gas-phase infrared spectra of nearly 500 pure chemical species that can be used for a variety of applications such as atmospheric monitoring, biomass burning studies, etc. The data, recorded at 0.1 cm-1 resolution, are pressure broadened to one atmosphere (N2) in order to mimic atmospheric conditions. Each spectrum is a composite composed of multiple individual measurements. Recent updates to the database include over 60 molecules that are known or suspected biomass-burning effluents. Examples from this set of measurements will be presented and experimental details will be discussed in the context of the utility of NWIR for environmental applications.

Thermo-chemical simulation of a composite offshore vertical axis wind turbine blade

DEFF Research Database (Denmark)

Baran, Ismet; Tutum, Cem Celal; Hattel, Jesper Henri

2012-01-01

In the present study three dimensional steady state thermo-chemical simulation of a pultrusion process is investigated by using the finite element/nodal control volume (FE/NCV) technique. Pultrusion simulation of a composite having a C-shaped cross section is performed as a validation case. The o...

Thermo-chemical simultion of a composite offshore vertical axis wind turbine blade

NARCIS (Netherlands)

Baran, Ismet; Tutum, Cem Celal; Hattel, Jesper Henri

2012-01-01

In the present study three dimensional steady state thermo-chemical simulation of a pultrusion process is investigated by using the finite element/nodal control volume (FE/NCV) technique. Pultrusion simulation of a composite having a C-shaped cross section is performed as a validation case. The

Design and reliability assessment of control systems for a nuclear-based hydrogen production plant with copper-chlorine thermochemical cycle

Energy Technology Data Exchange (ETDEWEB)

Al-Dabbagh, Ahmad W. [Faculty of Engineering and Applied Science, University of Ontario Institute of Technology, 2000 Simcoe Street North, Oshawa, Ontario, L1H 7K4 (Canada); Lu, Lixuan [Faculty of Energy Systems and Nuclear Science, Faculty of Engineering and Applied Science, University of Ontario Institute of Technology, 2000 Simcoe Street North, Oshawa, Ontario, L1H 7K4 (Canada)

2010-02-15

The thermochemical Copper-Chlorine (Cu-Cl) cycle is an emerging new method of nuclear-based hydrogen production. In the process, water is decomposed into hydrogen and oxygen through several physical and chemical processes. In this paper, a Distributed Control System (DCS) is designed for the thermochemical Cu-Cl cycle. The architecture and the communication networks of the DCS are discussed. Reliability of the DCS is assessed using fault trees. In the assessment, the impact of the malfunction of the actuators, sensors, controllers and communication networks on the overall system reliability is investigated. This provides key information for the selection of control system components, and determination of their inspection frequency and maintenance strategy. The hydrogen reactor unit, which is one of the major components in the thermochemical Cu-Cl cycle, is used to demonstrate the detailed design and analysis. (author)

Synfuels from fusion: producing hydrogen with the Tandem Mirror Reactor and thermochemical cycles

International Nuclear Information System (INIS)

Werner, R.W.; Ribe, F.L.

1981-01-01

This volume contains the following sections: (1) the Tandem Mirror fusion driver, (2) the Cauldron blanket module, (3) the flowing microsphere, (4) coupling the reactor to the process, (5) the thermochemical cycles, and (6) chemical reactors and process units

KALIMER database development

Energy Technology Data Exchange (ETDEWEB)

Jeong, Kwan Seong; Lee, Yong Bum; Jeong, Hae Yong; Ha, Kwi Seok

2003-03-01

KALIMER database is an advanced database to utilize the integration management for liquid metal reactor design technology development using Web applications. KALIMER design database is composed of results database, Inter-Office Communication (IOC), 3D CAD database, and reserved documents database. Results database is a research results database during all phase for liquid metal reactor design technology development of mid-term and long-term nuclear R and D. IOC is a linkage control system inter sub project to share and integrate the research results for KALIMER. 3D CAD database is a schematic overview for KALIMER design structure. And reserved documents database is developed to manage several documents and reports since project accomplishment.

KALIMER database development

International Nuclear Information System (INIS)

Jeong, Kwan Seong; Lee, Yong Bum; Jeong, Hae Yong; Ha, Kwi Seok

2003-03-01

KALIMER database is an advanced database to utilize the integration management for liquid metal reactor design technology development using Web applications. KALIMER design database is composed of results database, Inter-Office Communication (IOC), 3D CAD database, and reserved documents database. Results database is a research results database during all phase for liquid metal reactor design technology development of mid-term and long-term nuclear R and D. IOC is a linkage control system inter sub project to share and integrate the research results for KALIMER. 3D CAD database is a schematic overview for KALIMER design structure. And reserved documents database is developed to manage several documents and reports since project accomplishment

Synfuels from fusion: producing hydrogen with the Tandem Mirror Reactor and thermochemical cycles

Energy Technology Data Exchange (ETDEWEB)

Werner, R.W.; Ribe, F.L.

1981-01-21

This volume contains the following sections: (1) the Tandem Mirror fusion driver, (2) the Cauldron blanket module, (3) the flowing microsphere, (4) coupling the reactor to the process, (5) the thermochemical cycles, and (6) chemical reactors and process units. (MOW)

Thermochemical Storage of Middle Temperature Wasted Heat by Functionalized C/Mg(OH2 Hybrid Materials

Directory of Open Access Journals (Sweden)

Emanuela Mastronardo

2017-01-01

Full Text Available For the thermochemical performance implementation of Mg(OH2 as a heat storage medium, several hybrid materials have been investigated. For this study, high-performance hybrid materials have been developed by exploiting the authors’ previous findings. Expanded graphite (EG/carbon nanotubes (CNTs-Mg(OH2 hybrid materials have been prepared through Mg(OH2 deposition-precipitation over functionalized, i.e., oxidized, or un-functionalized EG or CNTs. The heat storage performances of the carbon-based hybrid materials have been investigated through a laboratory-scale experimental simulation of the heat storage/release cycles, carried out by a thermogravimetric apparatus. This study offers a critical evaluation of the thermochemical performances of developed materials through their comparison in terms of heat storage and output capacities per mass and volume unit. It was demonstrated that both EG and CNTs improves the thermochemical performances of the storage medium in terms of reaction rate and conversion with respect to pure Mg(OH2. With functionalized EG/CNTs-Mg(OH2, (i the potential heat storage and output capacities per mass unit of Mg(OH2 have been completely exploited; and (ii higher heat storage and output capacities per volume unit were obtained. That means, for technological applications, as smaller volume at equal stored/released heat.

Recommended Ideal-Gas Thermochemical Functions for Heavy Water and its Substituent Isotopologues

Czech Academy of Sciences Publication Activity Database

Simkó, I.; Furtenbacher, T.; Hrubý, Jan; Zobov, N. F.; Polyansky, O. L.; Tennyson, J.; Gamache, R. R.; Szidarovszky, T.; Dénes, N.; Császár, A. G.

2017-01-01

Roč. 46, č. 2 (2017), č. článku 023104. ISSN 0047-2689 R&D Projects: GA ČR GA16-02647S Institutional support: RVO:61388998 Keywords : heavy water * ideal-gas thermochemical functions * partition function Subject RIV: BJ - Thermodynamics OBOR OECD: Thermodynamics Impact factor: 4.204, year: 2016

Thermochemical pretreatments for enhancing succinic acid production from industrial hemp (Cannabis sativa L.)

DEFF Research Database (Denmark)

Gunnarsson, Ingólfur Bragi; Kuglarz, Mariusz; Karakashev, Dimitar Borisov

2015-01-01

The aim of this study was to develop an efficient thermochemical method for treatment of industrial hemp biomass, in order to increase its bioconversion to succinic acid. Industrial hemp was subjected to various thermochemical pretreatments using 0-3% H2SO4, NaOH or H2O2 at 121-180°C prior...... to enzymatic hydrolysis. The influence of the different pretreatments on hydrolysis and succinic acid production by Actinobacillus succinogenes 130Z was investigated in batch mode, using anaerobic bottles and bioreactors. Enzymatic hydrolysis and fermentation of hemp material pretreated with 3% H2O2 resulted...... in the highest overall sugar yield (73.5%), maximum succinic acid titer (21.9gL-1), as well as the highest succinic acid yield (83%). Results obtained clearly demonstrated the impact of different pretreatments on the bioconversion efficiency of industrial hemp into succinic acid....

IS process for thermochemical hydrogen production

International Nuclear Information System (INIS)

Onuki, Kaoru; Nakajima, Hayato; Ioka, Ikuo; Futakawa, Masatoshi; Shimizu, Saburo

1994-11-01

The state-of-the-art of thermochemical hydrogen production by IS process is reviewed including experimental data obtained at JAERI on the chemistry of the Bunsen reaction step and on the corrosion resistance of the structural materials. The present status of laboratory scale demonstration at JAERI is also included. The study on the chemistry of the chemical reactions and the products separations has identified feasible methods to function the process. The flowsheeting studies revealed a process thermal efficiency higher than 40% is achievable under efficient process conditions. The corrosion resistance of commercially available structural materials have been clarified under various process conditions. The basic scheme of the process has been realized in a laboratory scale apparatus. R and D requirements to proceed to the engineering demonstration coupled with HTTR are briefly discussed. (author)

Method for thermochemical decomposition of water

Science.gov (United States)

Abraham, Bernard M.; Schreiner, Felix

1977-01-11

Water is thermochemically decomposed to produce hydrogen by the following sequence of reactions: KI, NH.sub.3, CO.sub. 2 and water in an organic solvent such as ethyl or propyl alcohol are reacted to produce KHCO 3 and NH.sub.4 I. The KHCO.sub.3 is thermally decomposed to K.sub.2 CO.sub.3, H.sub.2 O and CO.sub.2, while the NH.sub.4 I is reacted with Hg to produce HgI.sub.2, NH.sub.3 and H.sub.2. The K.sub.2 CO.sub.3 obtained by calcining KHCO.sub.3 is then reacted with HgI.sub.2 to produce Hg, KI, CO and O.sub.2. All products of the reaction are recycled except hydrogen and oxygen.

To Error Problem Concerning Measuring Concentration of Carbon Oxide by Thermo-Chemical Sen

Directory of Open Access Journals (Sweden)

V. I. Nazarov

2007-01-01

Full Text Available The paper gives additional errors in respect of measuring concentration of carbon oxide by thermo-chemical sensors. A number of analytical expressions for calculation of error data and corrections for environmental factor deviations from admissible ones have been obtained in the paper

Thermochemical and thermophysical properties of alkaline-earth perovskites

International Nuclear Information System (INIS)

Yamanaka, Shinsuke; Kurosaki, Ken; Maekawa, Takuji; Matsuda, Tetsushi; Kobayashi, Shin-ichi; Uno, Masayoshi

2005-01-01

In order to contribute to safety evaluation of high burnup oxide fuels, we studied the thermochemical and thermophysical properties of alkaline-earth perovskites known as oxide inclusions. Polycrystalline samples of alkaline-earth perovskites, BaUO 3 , BaZrO 3 , BaCeO 3 , BaMoO 3 , SrTiO 3 , SrZrO 3 , SrCeO 3 , SrMoO 3 , SrHfO 3 and SrRuO 3 , were prepared and the thermal expansion coefficient, melting temperature, elastic moduli, Debye temperature, microhardness, heat capacity, and thermal conductivity were measured. The relationship between some physical properties was studied

Characterize and Model Final Waste Formulations and Offgas Solids from Thermal Treatment Processes - FY-98 Final Report for LDRD 2349

Energy Technology Data Exchange (ETDEWEB)

Kessinger, Glen Frank; Nelson, Lee Orville; Grandy, Jon Drue; Zuck, Larry Douglas; Kong, Peter Chuen Sun; Anderson, Gail

1999-08-01

The purpose of LDRD #2349, Characterize and Model Final Waste Formulations and Offgas Solids from Thermal Treatment Processes, was to develop a set of tools that would allow the user to, based on the chemical composition of a waste stream to be immobilized, predict the durability (leach behavior) of the final waste form and the phase assemblages present in the final waste form. The objectives of the project were: • investigation, testing and selection of thermochemical code • development of auxiliary thermochemical database • synthesis of materials for leach testing • collection of leach data • using leach data for leach model development • thermochemical modeling The progress toward completion of these objectives and a discussion of work that needs to be completed to arrive at a logical finishing point for this project will be presented.

A gas dynamic and thermochemical model of steam/sodium microleak phenomena

International Nuclear Information System (INIS)

Perkins, R.; Airey, R.; Daniels, L.C.

1985-06-01

Conflicting findings have been reported by 3 UK laboratories for the blockage or rapid escalation of steam/sodium microleaks. In an earlier paper it was shown that this discrepancy could be resolved through the influence on the steam flow of the geometry of the leak paths; the geometry being dependent upon the method of manufacture. The application of gas dynamics and thermochemical methods could account for the rapid escalation of some leaks in terms of the presence of shock waves in the gas flow within the leak path. In this paper the gas dynamic and thermochemical theories are re-stated and a series of leak experiments conducted to test the validity of the theory is described. The theory predicts that for some leaks of variable area of cross-section the blockage/escalation behaviour is determined by small changes in the sodium-side pressure; this effect was found and is discussed as a validation of the theory. Other aspects of leak phenomena are discussed and conclusions are drawn with emphasis on implications for further programmes of leak study and for leaks in LMFBR steam generators in service. (author)

Phase-field simulation of solidification in multicomponent alloys coupled with thermodynamic and diffusion mobility databases

International Nuclear Information System (INIS)

Zhang Ruijie; Jing Tao; Jie Wanqi; Liu Baicheng

2006-01-01

To simulate quantitatively the microstructural evolution in the solidification process of multicomponent alloys, we extend the phase-field model for binary alloys to multicomponent alloys with consideration of the solute interactions between different species. These interactions have a great influence not only on the phase equilibria but also on the solute diffusion behaviors. In the model, the interface region is assumed to be a mixture of solid and liquid with the same chemical potential, but with different compositions. The simulation presented is coupled with thermodynamic and diffusion mobility databases, which can accurately predict the phase equilibria and the solute diffusion transportation in the whole system. The phase equilibria in the interface and other thermodynamic quantities are obtained using Thermo-Calc through the TQ interface. As an example, two-dimensional computations for the dendritic growth in Al-Cu-Mg ternary alloy are performed. The quantitative solute distributions and diffusion matrix are obtained in both solid and liquid phases

Thermochemical pretreatments for enhancing succinic acid production from industrial hemp (Cannabis sativa L.).

Science.gov (United States)

Gunnarsson, Ingólfur B; Kuglarz, Mariusz; Karakashev, Dimitar; Angelidaki, Irini

2015-04-01

The aim of this study was to develop an efficient thermochemical method for treatment of industrial hemp biomass, in order to increase its bioconversion to succinic acid. Industrial hemp was subjected to various thermochemical pretreatments using 0-3% H2SO4, NaOH or H2O2 at 121-180°C prior to enzymatic hydrolysis. The influence of the different pretreatments on hydrolysis and succinic acid production by Actinobacillus succinogenes 130Z was investigated in batch mode, using anaerobic bottles and bioreactors. Enzymatic hydrolysis and fermentation of hemp material pretreated with 3% H2O2 resulted in the highest overall sugar yield (73.5%), maximum succinic acid titer (21.9 g L(-1)), as well as the highest succinic acid yield (83%). Results obtained clearly demonstrated the impact of different pretreatments on the bioconversion efficiency of industrial hemp into succinic acid. Copyright © 2015. Published by Elsevier Ltd.

In vivo comparison of simultaneous versus sequential injection technique for thermochemical ablation in a porcine model.

Science.gov (United States)

Cressman, Erik N K; Shenoi, Mithun M; Edelman, Theresa L; Geeslin, Matthew G; Hennings, Leah J; Zhang, Yan; Iaizzo, Paul A; Bischof, John C

2012-01-01

To investigate simultaneous and sequential injection thermochemical ablation in a porcine model, and compare them to sham and acid-only ablation. This IACUC-approved study involved 11 pigs in an acute setting. Ultrasound was used to guide placement of a thermocouple probe and coaxial device designed for thermochemical ablation. Solutions of 10 M acetic acid and NaOH were used in the study. Four injections per pig were performed in identical order at a total rate of 4 mL/min: saline sham, simultaneous, sequential, and acid only. Volume and sphericity of zones of coagulation were measured. Fixed specimens were examined by H&E stain. Average coagulation volumes were 11.2 mL (simultaneous), 19.0 mL (sequential) and 4.4 mL (acid). The highest temperature, 81.3°C, was obtained with simultaneous injection. Average temperatures were 61.1°C (simultaneous), 47.7°C (sequential) and 39.5°C (acid only). Sphericity coefficients (0.83-0.89) had no statistically significant difference among conditions. Thermochemical ablation produced substantial volumes of coagulated tissues relative to the amounts of reagents injected, considerably greater than acid alone in either technique employed. The largest volumes were obtained with sequential injection, yet this came at a price in one case of cardiac arrest. Simultaneous injection yielded the highest recorded temperatures and may be tolerated as well as or better than acid injection alone. Although this pilot study did not show a clear advantage for either sequential or simultaneous methods, the results indicate that thermochemical ablation is attractive for further investigation with regard to both safety and efficacy.

Essential Magnesium Alloys Binary Phase Diagrams and Their Thermochemical Data

Directory of Open Access Journals (Sweden)

Mohammad Mezbahul-Islam

2014-01-01

Full Text Available Magnesium-based alloys are becoming a major industrial material for structural applications because of their potential weight saving characteristics. All the commercial Mg alloys like AZ, AM, AE, EZ, ZK, and so forth series are multicomponent and hence it is important to understand the phase relations of the alloying elements with Mg. In this work, eleven essential Mg-based binary systems including Mg-Al/Zn/Mn/Ca/Sr/Y/Ni/Ce/Nd/Cu/Sn have been reviewed. Each of these systems has been discussed critically on the aspects of phase diagram and thermodynamic properties. All the available experimental data has been summarized and critically assessed to provide detailed understanding of the systems. The phase diagrams are calculated based on the most up-to-date optimized parameters. The thermodynamic model parameters for all the systems except Mg-Nd have been summarized in tables. The crystallographic information of the intermetallic compounds of different binary systems is provided. Also, the heat of formation of the intermetallic compounds obtained from experimental, first principle calculations and CALPHAD optimizations are provided. In addition, reoptimization of the Mg-Y system has been done in this work since new experimental data showed wider solubility of the intermetallic compounds.

A KINETIC DATABASE FOR ASTROCHEMISTRY (KIDA)

International Nuclear Information System (INIS)

Wakelam, V.; Pavone, B.; Hébrard, E.; Hersant, F.; Herbst, E.; Loison, J.-C.; Chandrasekaran, V.; Bergeat, A.; Smith, I. W. M.; Adams, N. G.; Bacchus-Montabonel, M.-C.; Béroff, K.; Bierbaum, V. M.; Chabot, M.; Dalgarno, A.; Van Dishoeck, E. F.; Faure, A.; Geppert, W. D.; Gerlich, D.; Galli, D.

2012-01-01

We present a novel chemical database for gas-phase astrochemistry. Named the KInetic Database for Astrochemistry (KIDA), this database consists of gas-phase reactions with rate coefficients and uncertainties that will be vetted to the greatest extent possible. Submissions of measured and calculated rate coefficients are welcome, and will be studied by experts before inclusion into the database. Besides providing kinetic information for the interstellar medium, KIDA is planned to contain such data for planetary atmospheres and for circumstellar envelopes. Each year, a subset of the reactions in the database (kida.uva) will be provided as a network for the simulation of the chemistry of dense interstellar clouds with temperatures between 10 K and 300 K. We also provide a code, named Nahoon, to study the time-dependent gas-phase chemistry of zero-dimensional and one-dimensional interstellar sources.

Effects of ultrasonic and thermo-chemical pre-treatments on methane production from fat, oil and grease (FOG) and synthetic kitchen waste (KW) in anaerobic co-digestion.

Science.gov (United States)

Li, Chenxi; Champagne, Pascale; Anderson, Bruce C

2013-02-01

The effects of ultrasonic and thermo-chemical pre-treatments on the methane production potential of anaerobic co-digestion with synthetic kitchen waste (KW) or fat, oil and grease (FOG) were investigated. Non-linear regressions were fitted to accurately assess and compare the methane production from co-digestion under the various pre-treatment conditions and to achieve representative simulations and predictions. Ultrasonic pre-treatment was not found to improve methane production effectively from either FOG co-digestion or KW co-digestions. Thermo-chemical pre-treatment could increase methane production yields from both FOG and KW co-digestions. COD solubilization was found to effectively represent the effects of pre-treatment. A comprehensive evaluation indicated that the thermo-chemical pre-treatments of pH=10, 55°C and pH=8, 55°C provided the best conditions to increase methane production from FOG and KW co-digestions, respectively. The most effective enhancement of biogas production (288±0.85mLCH(4)/g TVS) was achieved from thermo-chemically pre-treated FOG co-digestion, which was 9.9±1.5% higher than FOG co-digestion without thermo-chemical pre-treatment. Copyright © 2012 Elsevier Ltd. All rights reserved.

Thermochemical hydrogen production studies at LLNL: a status report

International Nuclear Information System (INIS)

Krikorian, O.H.

1982-01-01

Currently, studies are underway at the Lawrence Livermore National Laboratory (LLNL) on thermochemical hydrogen production based on magnetic fusion energy (MFE) and solar central receivers as heat sources. These areas of study were described earlier at the previous IEA Annex I Hydrogen Workshop (Juelich, West Germany, September 23-25, 1981), and a brief update will be given here. Some basic research has also been underway at LLNL on the electrolysis of water from fused phosphate salts, but there are no current results in that area, and the work is being terminated

Solar Hydrogen Production via a Samarium Oxide-Based Thermochemical Water Splitting Cycle

Directory of Open Access Journals (Sweden)

Rahul Bhosale

2016-04-01

Full Text Available The computational thermodynamic analysis of a samarium oxide-based two-step solar thermochemical water splitting cycle is reported. The analysis is performed using HSC chemistry software and databases. The first (solar-based step drives the thermal reduction of Sm2O3 into Sm and O2. The second (non-solar step corresponds to the production of H2 via a water splitting reaction and the oxidation of Sm to Sm2O3. The equilibrium thermodynamic compositions related to the thermal reduction and water splitting steps are determined. The effect of oxygen partial pressure in the inert flushing gas on the thermal reduction temperature (TH is examined. An analysis based on the second law of thermodynamics is performed to determine the cycle efficiency (ηcycle and solar-to-fuel energy conversion efficiency (ηsolar−to−fuel attainable with and without heat recuperation. The results indicate that ηcycle and ηsolar−to−fuel both increase with decreasing TH, due to the reduction in oxygen partial pressure in the inert flushing gas. Furthermore, the recuperation of heat for the operation of the cycle significantly improves the solar reactor efficiency. For instance, in the case where TH = 2280 K, ηcycle = 24.4% and ηsolar−to−fuel = 29.5% (without heat recuperation, while ηcycle = 31.3% and ηsolar−to−fuel = 37.8% (with 40% heat recuperation.

Development of a database for the prediction of phases in Pt-Al-Cr-Ru alloys for high-temperature and corrosive environments: Al-Cr-Ru

International Nuclear Information System (INIS)

Suess, R.; Watson, A.; Cornish, L.A.; Compton, D.N.

2009-01-01

Platinum-based alloys for high-temperature corrosive environments are being developed which have microstructures that are analogous to the γ/γ' microstructure of the nickel-based superalloys. The need for a predictive thermodynamic database for these alloys was identified. Because experimental studies suggested that such a database should be based on Pt-Al-Cr-Ru, the Al-Cr-Ru system is of importance in this research programme. Using the CALPHAD method and Thermo-Calc software, existing binary data were used to optimise a ternary database for Al-Cr-Ru against available experimental ternary data. The database gives good predictions with regards to phase equilibria in the system as well as the nature of the primary solidification phases.

Development of an atomic mobility database for liquid phase in multicomponent Al alloys. Focusing on binary systems

Energy Technology Data Exchange (ETDEWEB)

Wang, Shaoqing; Du, Yong; Zhang, Lijun [Central South Univ., Changsha, Hunan (China). State Key Laboratory of Powder Metallurgy; Liu, Dandan [Central South Univ., Changsha, Hunan (China). State Key Laboratory of Powder Metallurgy; Central South Univ., Changsha, Hunan (China). School of Materials Science and Engineering; Chen, Qing; Engstroem, Anders [Thermo-Calc Software AB, Stockholm (Sweden)

2013-08-15

An atomic mobility database for binary liquid phase in multicomponent Al-Cu-Fe-Mg-Mn-Ni-Si-Zn alloys was established based on critically reviewed experimental and theoretical diffusion data by using DICTRA (Diffusion Controlled TRAnsformation) software. The impurity diffusivities of the elements with limited experimental data are obtained by means of the least-squares method and semi-empirical correlations. Comprehensive comparisons between the calculated and measured diffusivities indicate that most of the reported diffusivities can be well reproduced by the currently obtained atomic mobilities. The reliability of this diffusivity database is further validated by comparing the simulated concentration profiles with the measured ones, as well as the measured main inter-diffusion coefficients of liquid Al-Cu-Zn alloys with the extrapolated ones from the present binary atomic mobility database. The approach is of general validity and applicable to establish mobility databases of other liquid alloys. (orig.)

Lab-scale experiment of a closed thermochemical heat storage system including honeycomb heat exchanger

International Nuclear Information System (INIS)

Fopah-Lele, Armand; Rohde, Christian; Neumann, Karsten; Tietjen, Theo; Rönnebeck, Thomas; N'Tsoukpoe, Kokouvi Edem; Osterland, Thomas; Opel, Oliver

2016-01-01

A lab-scale thermochemical heat storage reactor was developed in the European project “thermal battery” to obtain information on the characteristics of a closed heat storage system, based on thermochemical reactions. The present type of storage is capable of re-using waste heat from cogeneration system to produce useful heat for space heating. The storage material used was SrBr 2 ·6H 2 O. Due to agglomeration or gel-like problems, a structural element was introduced to enhance vapour and heat transfer. Honeycomb heat exchanger was designed and tested. 13 dehydration-hydration cycles were studied under low-temperature conditions (material temperatures < 100 °C) for storage. Discharging was realized at water vapour pressure of about 42 mbar. Temperature evolution inside the reactor at different times and positions, chemical conversion, thermal power and overall efficiency were analysed for the selected cycles. Experimental system thermal capacity and efficiency of 65 kWh and 0.77 are respectively obtained with about 1 kg of SrBr 2 ·6H 2 O. Heat transfer fluid recovers heat at a short span of about 43 °C with an average of 22 °C during about 4 h, acceptable temperature for the human comfort (20 °C on day and 16 °C at night). System performances were obtained for a salt bed energy density of 213 kWh·m 3 . The overall heat transfer coefficient of the honeycomb heat exchanger has an average value of 147 W m −2  K −1 . Though promising results have been obtained, ameliorations need to be made, in order to make the closed thermochemical heat storage system competitive for space heating. - Highlights: • Lab-scale thermochemical heat storage is designed, constructed and tested. • The use of honeycomb heat exchanger as a heat and vapour process enhancement. • Closed system (1 kg SrBr 2 ·6H 2 O) able to give back 3/4 of initial thermal waste energy. • System storage capacity and thermal efficiency are respectively 65 kWh and 0.77. �

Systematic validation of non-equilibrium thermochemical models using Bayesian inference

KAUST Repository

Miki, Kenji

2015-10-01

© 2015 Elsevier Inc. The validation process proposed by Babuška et al. [1] is applied to thermochemical models describing post-shock flow conditions. In this validation approach, experimental data is involved only in the calibration of the models, and the decision process is based on quantities of interest (QoIs) predicted on scenarios that are not necessarily amenable experimentally. Moreover, uncertainties present in the experimental data, as well as those resulting from an incomplete physical model description, are propagated to the QoIs. We investigate four commonly used thermochemical models: a one-temperature model (which assumes thermal equilibrium among all inner modes), and two-temperature models developed by Macheret et al. [2], Marrone and Treanor [3], and Park [4]. Up to 16 uncertain parameters are estimated using Bayesian updating based on the latest absolute volumetric radiance data collected at the Electric Arc Shock Tube (EAST) installed inside the NASA Ames Research Center. Following the solution of the inverse problems, the forward problems are solved in order to predict the radiative heat flux, QoI, and examine the validity of these models. Our results show that all four models are invalid, but for different reasons: the one-temperature model simply fails to reproduce the data while the two-temperature models exhibit unacceptably large uncertainties in the QoI predictions.

Thermochemical hydrolysis of macroalgae Ulva for biorefinery: Taguchi robust design method

Science.gov (United States)

Jiang, Rui; Linzon, Yoav; Vitkin, Edward; Yakhini, Zohar; Chudnovsky, Alexandra; Golberg, Alexander

2016-06-01

Understanding the impact of all process parameters on the efficiency of biomass hydrolysis and on the final yield of products is critical to biorefinery design. Using Taguchi orthogonal arrays experimental design and Partial Least Square Regression, we investigated the impact of change and the comparative significance of thermochemical process temperature, treatment time, %Acid and %Solid load on carbohydrates release from green macroalgae from Ulva genus, a promising biorefinery feedstock. The average density of hydrolysate was determined using a new microelectromechanical optical resonator mass sensor. In addition, using Flux Balance Analysis techniques, we compared the potential fermentation yields of these hydrolysate products using metabolic models of Escherichia coli, Saccharomyces cerevisiae wild type, Saccharomyces cerevisiae RN1016 with xylose isomerase and Clostridium acetobutylicum. We found that %Acid plays the most significant role and treatment time the least significant role in affecting the monosaccharaides released from Ulva biomass. We also found that within the tested range of parameters, hydrolysis with 121 °C, 30 min 2% Acid, 15% Solids could lead to the highest yields of conversion: 54.134-57.500 gr ethanol kg-1 Ulva dry weight by S. cerevisiae RN1016 with xylose isomerase. Our results support optimized marine algae utilization process design and will enable smart energy harvesting by thermochemical hydrolysis.

Thermochemical hydrolysis of macroalgae Ulva for biorefinery: Taguchi robust design method.

Science.gov (United States)

Jiang, Rui; Linzon, Yoav; Vitkin, Edward; Yakhini, Zohar; Chudnovsky, Alexandra; Golberg, Alexander

2016-06-13

Understanding the impact of all process parameters on the efficiency of biomass hydrolysis and on the final yield of products is critical to biorefinery design. Using Taguchi orthogonal arrays experimental design and Partial Least Square Regression, we investigated the impact of change and the comparative significance of thermochemical process temperature, treatment time, %Acid and %Solid load on carbohydrates release from green macroalgae from Ulva genus, a promising biorefinery feedstock. The average density of hydrolysate was determined using a new microelectromechanical optical resonator mass sensor. In addition, using Flux Balance Analysis techniques, we compared the potential fermentation yields of these hydrolysate products using metabolic models of Escherichia coli, Saccharomyces cerevisiae wild type, Saccharomyces cerevisiae RN1016 with xylose isomerase and Clostridium acetobutylicum. We found that %Acid plays the most significant role and treatment time the least significant role in affecting the monosaccharaides released from Ulva biomass. We also found that within the tested range of parameters, hydrolysis with 121 °C, 30 min 2% Acid, 15% Solids could lead to the highest yields of conversion: 54.134-57.500 gr ethanol kg(-1) Ulva dry weight by S. cerevisiae RN1016 with xylose isomerase. Our results support optimized marine algae utilization process design and will enable smart energy harvesting by thermochemical hydrolysis.

Probing cycle stability and reversibility in thermochemical energy storage – CaC_2O_4·H_2O as perfect match?

International Nuclear Information System (INIS)

Knoll, Christian; Müller, Danny; Artner, Werner; Welch, Jan M.; Werner, Andreas; Harasek, Michael; Weinberger, Peter

2017-01-01

Highlights: • CaC_2O_4·H_2O dehydration is fully reversible between 25 °C and 200 °C. • Isothermal cycling between hydrate and anhydrate phase can be triggered by the water vapour concentration. • High reaction rates and full reversibility demonstrated over 100 cycles. • Material shows no ageing effects or reactivity decrease. - Abstract: The dehydration and subsequent rehydration of calcium oxalate monohydrate has yet to find application in thermochemical energy storage. Unlike for many other salt hydrates, complete reversibility of the dehydration-rehydration reaction was observed. Additionally, it was found that the rehydration temperature is strongly affected by the water vapour concentration: Full reversibility is not only achieved at room-temperature, but, depending on the water vapour concentration, at up to 200 °C. This allows isothermal switching of the material between charging and discharging by a change of the H_2O-partial pressure. Cycle stability of the material was tested by a long-term stress experiment involving 100 charging and discharging cycles. No signs of material fatigue or reactivity loss were found. In-situ powder X-ray diffraction showed complete rehydration of the material within 300 s. The experimental findings indicate that the CaC_2O_4·H_2O/CaC_2O_4 system is perfectly suited for technical application as a thermochemical energy storage medium.

Corrosion resistance of materials of construction for high temperature sulfuric acid service in thermochemical IS process. Alloy 800, Alloy 600, SUSXM15J1 and SiC

International Nuclear Information System (INIS)

Tanaka, Nobuyuki; Onuki, Kaoru; Shimizu, Saburo; Yamaguchi, Akihisa

2006-01-01

Exposure tests of candidate materials were carried out up to 1000 hr in the sulfuric acid environments of thermochemical hydrogen production IS process, focusing on the corrosion of welded portion and of crevice area. In the gas phase sulfuric acid decomposition condition at 850degC, welded samples of Alloy 800 and of Alloy 600 showed the same good corrosion resistance as the base materials. In the boiling condition of 95 wt% sulfuric acid solution, test sample of SiC showed the same good corrosion resistance. Also negligible corrosion was observed in crevice corrosion. (author)

Thermochemical properties of some alkaline-earth silicates and zirconates. Fission product behaviour during molten core-concrete interactions

International Nuclear Information System (INIS)

Huntelaar, M.E.

1996-01-01

This thesis aims to make a contribution to a better understanding of the chemical processes occurring during an ex-vessel MCCI accident with a western-type of nuclear reactor. Chosen is for a detailed thermochemical study of the silicates and zirconates of barium and strontium. In Chapter one a short introduction in the history of (research in) nuclear safety is given, followed by the state-of-the-art of molten core-concrete interactions in Chapter two. In both Chapters the role of chemical thermodynamics on this particular subject is dealt with. The experimental work on the silicates and zirconates of barium and strontium performed for this thesis, is described in the Chapters three, four, five, six, and parts of eight. In Chapter three the basis for all thermochemical measurements, the sample preparation is given. Because the sample preparation effects the accuracy of the thermodynamic measurements, a great deal of effort is spent in optimizing the synthesis of the silicates which resulted in the TEOS-method widely employed here. In the next Chapters the different thermochemical techniques used, are described: The low-temperature heat capacity measurements and the enthalpy increment measurements in Chapter four, the enthalpy-of-solution measurements in Chapter five, and measurements to determine the crystal structures in Chapter six. (orig.)

Thermochemical properties of some alkaline-earth silicates and zirconates. Fission product behaviour during molten core-concrete interactions

Energy Technology Data Exchange (ETDEWEB)

Huntelaar, M.E.

1996-06-19

This thesis aims to make a contribution to a better understanding of the chemical processes occurring during an ex-vessel MCCI accident with a western-type of nuclear reactor. Chosen is for a detailed thermochemical study of the silicates and zirconates of barium and strontium. In Chapter one a short introduction in the history of (research in) nuclear safety is given, followed by the state-of-the-art of molten core-concrete interactions in Chapter two. In both Chapters the role of chemical thermodynamics on this particular subject is dealt with. The experimental work on the silicates and zirconates of barium and strontium performed for this thesis, is described in the Chapters three, four, five, six, and parts of eight. In Chapter three the basis for all thermochemical measurements, the sample preparation is given. Because the sample preparation effects the accuracy of the thermodynamic measurements, a great deal of effort is spent in optimizing the synthesis of the silicates which resulted in the TEOS-method widely employed here. In the next Chapters the different thermochemical techniques used, are described: The low-temperature heat capacity measurements and the enthalpy increment measurements in Chapter four, the enthalpy-of-solution measurements in Chapter five, and measurements to determine the crystal structures in Chapter six. (orig.).

Process development for elemental recovery from PGM tailings by thermochemical treatment: Preliminary major element extraction studies using ammonium sulphate as extracting agent.

Science.gov (United States)

Mohamed, Sameera; van der Merwe, Elizabet M; Altermann, Wladyslaw; Doucet, Frédéric J

2016-04-01

Mine tailings can represent untapped secondary resources of non-ferrous, ferrous, precious, rare and trace metals. Continuous research is conducted to identify opportunities for the utilisation of these materials. This preliminary study investigated the possibility of extracting major elements from South African tailings associated with the mining of Platinum Group Metals (PGM) at the Two Rivers mine operations. These PGM tailings typically contain four major elements (11% Al2O3; 12% MgO; 22% Fe2O3; 34% Cr2O3), with lesser amounts of SiO2 (18%) and CaO (2%). Extraction was achieved via thermochemical treatment followed by aqueous dissolution, as an alternative to conventional hydrometallurgical processes. The thermochemical treatment step used ammonium sulphate, a widely available, low-cost, recyclable chemical agent. Quantification of the efficiency of the thermochemical process required the development and optimisation of the dissolution technique. Dissolution in water promoted the formation of secondary iron precipitates, which could be prevented by leaching thermochemically-treated tailings in 0.6M HNO3 solution. The best extraction efficiencies were achieved for aluminium (ca. 60%) and calcium (ca. 80%). 35% iron and 32% silicon were also extracted, alongside chromium (27%) and magnesium (25%). Thermochemical treatment using ammonium sulphate may therefore represent a promising technology for extracting valuable elements from PGM tailings, which could be subsequently converted to value-added products. However, it is not element-selective, and major elements were found to compete with the reagent to form water-soluble sulphate-metal species. Further development of this integrated process, which aims at achieving the full potential of utilisation of PGM tailings, is currently underway. Copyright © 2016 Elsevier Ltd. All rights reserved.

Nuclear-produced hydrogen by a thermochemical Cu-Cl plant for passenger hydrogen trains

International Nuclear Information System (INIS)

Marin, G.; Naterer, G.; Gabriel, K.

2010-01-01

This paper compares the technical and economic aspects of electrification of a passenger-train operation in Ontario Canada, versus operation with hydrogen trains using nuclear-produced hydrogen. A local GO Transit diesel operation in Ontario has considered electrification as an alternative to reduce greenhouse gas emissions of passenger trains in the Toronto area. Hydrogen production from nuclear energy via a thermo-chemical Copper-Chlorine (Cu-Cl) cycle for train operation is shown to have lower emissions than direct electrification. It significantly reduces the greenhouse gas emissions compared to diesel operation. A bench-mark reference case used for the nuclear thermo-chemical Cu-Cl cycle is the Sulfur-Iodine (S-I) cycle, under investigation in the USA, Japan, and France, among others. The comparative study in this paper considers a base case of diesel operated passenger trains, within the context of a benefits case analysis for train electrification, for GO Transit operations in Toronto, and the impact of each cost component is discussed. The cost analysis includes projected prices of fuel cell trains, with reference to studies performed by train operators. (author)

Maximizing Efficiency in Two-step Solar-thermochemical Fuel Production

Energy Technology Data Exchange (ETDEWEB)

Ermanoski, I. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

2015-05-01

Widespread solar fuel production depends on its economic viability, largely driven by the solar-to-fuel conversion efficiency. In this paper, the material and energy requirements in two-step solar-thermochemical cycles are considered.The need for advanced redox active materials is demonstrated, by considering the oxide mass flow requirements at a large scale. Two approaches are also identified for maximizing the efficiency: optimizing reaction temperatures, and minimizing the pressure in the thermal reduction step by staged thermal reduction. The results show that each approach individually, and especially the two in conjunction, result in significant efficiency gains.

Mitigation of climate change via a copper-chlorine hybrid thermochemical water splitting cycle for hydrogen production from nuclear energy

International Nuclear Information System (INIS)

Orhan, M.F.; Dincer, I.; Rosen, M.A.

2009-01-01

Concerns regarding climate change have motivated research on clean energy resources. While many energy resources have limitations, nuclear energy has the potential to supply a significant share of energy supply without contributing to climate change. Nuclear energy has been used mainly for electric power generation, but hydrogen production via thermochemical water decomposition provides another option for the utilization of nuclear thermal energy. This paper describes nuclear-based hydrogen production technologies and discusses the role of the Cu-Cl cycle for thermochemical water decomposition, potentially driven in part by waste heat from a nuclear generating station, in reducing greenhouse gas emissions. (author)

Thermochemical and phase diagram studies of the Sn-Zn-Ni system

International Nuclear Information System (INIS)

Gandova, V.D.; Broz, P.; Bursik, J.; Vassilev, G.P.

2011-01-01

Highlights: → Sn-Zn-Ni phase diagram in the vicinity of the Sn-Zn system. → Unidentified compositions (UX1-UX4) are repeatedly observed. → This indicates up to 6 ternary compounds in the system. → A ternary eutectic reaction at around 190 o C is found. - Abstract: The phase diagram Sn-Zn-Ni was studied by means of DSC and electron microprobe analysis. The samples were positioned in three isopleth sections with nickel contents of 0.04 (section 1), 0.08 (section 2) and 0.12 (section 3) mole fractions. The mole fractions of Sn corresponding to the particular sections were as follows: from 0.230 to 0.768 (section 1), from 0.230 to 0.736 (section 2); from 0.220 to 0.704 (section 3). Mixtures of pure metals were sealed under vacuum in quartz ampoules and annealed at 350 o C. The solid phases identified in the samples were: γ-(i.e. Ni 5 Zn 21 ), (Zn) and the ternary phase T1. Unidentified compositions were observed. One of them: UX1 (X Ni = 0.071 ± 0.005, X Sn = 0.439 ± 0.009 and X Zn = 0.490 ± 0.010) might indicate another (stable or metastable) ternary compound (T3) in the system Sn-Zn-Ni. Considering the data obtained by combining DSC with microstructure observations, the studied alloys could be divided in two groups (A and B). A ternary eutectic reaction at around 190 o C is common for the A-group alloys. The phases taking part in this reaction are, probably, Ni 5 Zn 21 , (Zn), (βSn) and liquid. B-group samples do not show ternary eutectic reaction and are also characterized by the presence of the ternary compound T1 (absent in the A-group alloys). Four other groups of thermal arrests were registered (TA 1 -TA 4 ). It was found that TA 2 peaks were characteristic for most of the A-group samples, while TA 1 peaks were registered with all B-group samples.

Thermochemical production of hydrogen from water

International Nuclear Information System (INIS)

Funk, J.E.; Conger, W.L.; Carty, R.H.; Barker, R.E.

1975-01-01

A review of recent developments in the selection and evaluation of multi-step thermochemical water-splitting cycles is presented. A computerized and thermodynamic and chemical engineering analysis procedure is discussed with calculates, among other things, the thermal efficiency of the process which is defined to be the ratio of the enthalpy change for water decomposition to the total thermal energy required by the process. Changes in the thermodynamic state in each step of the process are also determined. Engineering considerations such as the effect of approach to equilibrium in the chemical reaction steps on the work of separation, and the magnitude of the recycle streams are included. Important practical matters such as thermal regeneration in the product and reactant streams are dealt with in some detail. The effect of reaction temperature on thermal efficiency is described and the use of the analysis procedure is demonstrated by applying it to several processes. (author)

Thermochemical ablation therapy of VX2 tumor using a permeable oil-packed liquid alkali metal.

Directory of Open Access Journals (Sweden)

Ziyi Guo

Full Text Available Alkali metal appears to be a promising tool in thermochemical ablation, but, it requires additional data on safety is required. The objective of this study was to explore the effectiveness of permeable oil-packed liquid alkali metal in the thermochemical ablation of tumors.Permeable oil-packed sodium-potassium (NaK was prepared using ultrasonic mixing of different ratios of metal to oil. The thermal effect of the mixture during ablation of muscle tissue ex vivo was evaluated using the Fluke Ti400 Thermal Imager. The thermochemical effect of the NaK-oil mixture on VX2 tumors was evaluated by performing perfusion CT scans both before and after treatment in 10 VX2 rabbit model tumors. VX2 tumors were harvested from two rabbits immediately after treatment to assess their viability using trypan blue and hematoxylin and eosin (H.E. staining.The injection of the NaK-oil mixture resulted in significantly higher heat in the ablation areas. The permeable oil controlled the rate of heat released during the NaK reaction with water in the living tissue. Perfusion computed tomography and its parameter map confirmed that the NaK-oil mixture had curative effects on VX2 tumors. Both trypan blue and H.E. staining showed partial necrosis of the VX2 tumors.The NaK-oil mixture may be used successfully to ablate tumor tissue in vivo. With reference to the controlled thermal and chemical lethal injury to tumors, using a liquid alkali in ablation is potentially an effective and safe method to treat malignant tumors.

Pathways for the release of polonium from a lead-bismuth spallation target (thermochemical calculation); Verfluechtigungspfade des Poloniums aus einem Pb-Bi-Spallationstarget (Thermochemische Kalkulation)

Energy Technology Data Exchange (ETDEWEB)

Eichler, B.; Neuhausen, J

2004-06-01

An analysis of literature data for the thermochemical constants of polonium reveals considerable discrepancies in the relations of these data among each other as well as in their expected trends within the chalcogen group. This fact hinders a reliable assessment of possible reaction paths for the release of polonium from a liquid lead-bismuth spallation target. In this work an attempt is made to construct a coherent data set for the thermochemical properties of polonium and some of its compounds that are of particular importance with respect to the behaviour of polonium in a liquid Pb-Bi target. This data set is based on extrapolations using general trends throughout the periodic table and, in particular, within the chalcogen group. Consequently, no high accuracy should be attributed to the derived data set. However, the data set derived in this work is consistent with definitely known experimental data. Furthermore, it complies with the general trends of physicochemical properties within the chalcogen group. Finally, well known relations between thermochemical quantities are fulfilled by the data derived in this work. Thus, given the lack of accurate experimental data it can be regarded as best available data. Thermochemical constants of polonium hydride, lead polonide and polonium dioxide are derived based on extrapolative procedures. Furthermore, the possibility of formation of the gaseous intermetallic molecule BiPo, which has been omitted from discussion up to now, is investigated. From the derived thermochemical data the equilibrium constants of formation, release and dissociation reactions are calculated for different polonium containing species. Furthermore equilibrium constants are determined for the reaction of lead polonide and polonium dioxide with hydrogen, water vapour and the target components lead and bismuth. The most probable release pathways are discussed. From thermochemical evaluations polonium is expected to be released from liquid lead

Thermochemical micro imprinting of single-crystal diamond surface using a nickel mold under high-pressure conditions

Energy Technology Data Exchange (ETDEWEB)

Imoto, Yuji; Yan, Jiwang, E-mail: yan@mech.keio.ac.jp

2017-05-15

Graphical abstract: A Ni mold and thermochemically imprinted microstructures on diamond. - Highlights: • A thermochemical method for micro machining/patterning of diamond is proposed. • Various kinds of microstructures were imprinted on diamond using a Ni mold. • A graphite layer is formed during imprinting which can be removed by acid. • The processing depth depends strongly on pressure and temperature. - Abstract: Single-crystal diamond is an important material for cutting tools, micro electro mechanical systems, optical devices, and semiconductor substrates. However, the techniques for producing microstructures on diamond surface with high efficiency and accuracy have not been established. This paper proposes a thermochemical imprinting method for transferring microstructures from a nickel (Ni) mold onto single-crystal diamond surface. The Ni mold was micro-structured by a nanoindenter and then pressed against the diamond surface under high temperature and pressure in argon atmosphere. Results show that microstructures on the Ni mold were successfully transferred onto the diamond surface, and their depth increased with both pressure and temperature. Laser micro-Raman spectroscopy, transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS) analyses indicate that a graphite layer was formed over the contact area between diamond and Ni during pressing, and after washing by a mixed acid, the graphite layer could be completely removed. This study demonstrated the feasibility of a cost-efficient fabrication method for large-area microstructures on single-crystal diamond.

Generation of H2 and CO by solar thermochemical splitting of H2O and CO2 by employing metal oxides

International Nuclear Information System (INIS)

Rao, C.N.R.; Dey, Sunita

2016-01-01

Generation of H 2 and CO by splitting H 2 O and CO 2 respectively constitutes an important aspect of the present-day concerns with energy and environment. The solar thermochemical route making use of metal oxides is a viable means of accomplishing these reduction reactions. The method essentially involves reducing a metal oxide by heating and passing H 2 O or CO 2 over the nonstoichiometric oxide to cause reverse oxidation by abstracting oxygen from H 2 O or CO 2 . While ceria, perovskites and other oxides have been investigated for this purpose, recent studies have demonstrated the superior performance of perovskites of the type Ln 1−x A x Mn 1−y M y O 3 (Ln=rare earth, A=alkaline earth, M=various +2 and +3 metal ions), in the thermochemical generation of H 2 and CO. We present the important results obtained hitherto to point out how the alkaine earth and the Ln ions, specially the radius of the latter, determine the performance of the perovskites. The encouraging results obtained are exemplefied by Y 0.5 Sr 0.5 MnO 3 which releases 483 µmol/g of O 2 at 1673 K and produces 757 µmol/g of CO from CO 2 at 1173 K. The production of H 2 from H 2 O is also quite appreciable. Modification of the B site ion of the perovskite also affects the performance. In addition to perovskites, we present the generation of H 2 based on the Mn 3 O 4 /NaMnO 2 cycle briefly. - Graphical abstract: Ln 0.5 A 0.5 Mn 1−x M x O 3 (Ln=lanthanide; A=Ca, Sr; M=Al, Ga, Sc, Mg, Cr, Fe, Co) perovskites are employed for the two step thermochemical splitting of CO 2 and H 2 O for the generation of CO and H 2 . - Highlights: • Perovskite oxides based on Mn are ideal for the two-step thermochemical splitting of CO 2 and H 2 O. • In Ln 1−x A x MnO 3 perovskite (Ln=rare earth, A=alkaline earth) both Ln and A ions play major roles in the thermochemical process. • H 2 O splitting is also achieved by the use of the Mn 3 O 4 -sodium carbonate system. • Thermochemical splitting of CO 2 and H

Nagra thermochemical data base. II. Supplement data 05/92

International Nuclear Information System (INIS)

Pearson, F.J.; Berner, U.; Hummel, W.

1992-05-01

Chemical thermodynamic data for aqueous species, minerals, and gases are required by Nagra for geochemical modelling. The Nagra thermochemical data base contains core and supplemental data. Core data for well-characterised entities were individually carefully selected and given by Pearson and Berner (1991). Supplemental data are for less common entities and for elements principally of safety assessment concern. They were selected in groups from other data bases for geochemical modelling and did not receive individual scrutiny. This report gives tables with the Nagra thermochemical data as of 5/92. It includes the core data described in the earlier report with supplemental data for the elements aluminium, silicon, iron, and manganese, the actinides thorium, uranium, neptunium, plutonium, and americium, and elements found as fission or activation products in nuclear waste, including nickel, zirconium, niobium, molybdenum, technetium, palladium, tin, selenium and iodine. Aqueous complexes of four representative organic anions are also included. The sources of these supplemental data are described in the text. Other compilations of data were examined during the selection on the supplemental data. These included the data bases used at the Paul Scherrer Institut with the geochemical programs MINEQL as of 3/91, PHREEQE as of 4/91, and the HATCHES 3.0 data base. This report also gives tables comparing selected data in these three data bases with values from the Nagra data base. This data base has not yet been tested for a full range of nuclear waste management applications, although such work is in progress. It should thus be regarded as a reference fixed point for quality assurance purpose and not critically reviewed standard. (author) tabs., refs

Bimetallic catalysts for HI decomposition in the iodine-sulfur thermochemical cycle

International Nuclear Information System (INIS)

Wang Laijun; Hu Songzhi; Xu Lufei; Li Daocai; Han Qi; Chen Songzhe; Zhang Ping; Xu Jingming

2014-01-01

Among the different kinds of thermochemical water-splitting cycles, the iodine-sulfur (IS) cycle has attracted more and more interest because it is one of the promising candidates for economical and massive hydrogen production. However, there still exist some science and technical problems to be solved before industrialization of the IS process. One such problem is the catalytic decomposition of hydrogen iodide. Although the active carbon supported platinum has been verified to present the excellent performance for HI decomposition, it is very expensive and easy to agglomerate under the harsh condition. In order to decrease the cost and increase the stability of the catalysts for HI decomposition, a series of bimetallic catalysts were prepared and studied at INET. This paper summarized our present research advances on the bimetallic catalysts (Pt-Pd, Pd-Ir and Pt-Ir) for HI decomposition. In the course of the study, the physical properties, structure, and morphology of the catalysts were characterized by specific surface area, X-ray diffractometer; and transmission electron microscopy, respectively. The catalytic activity for HI decomposition was investigated in a fixed bed reactor under atmospheric pressure. The results show that due to the higher activity and better stability, the active carbon supported bimetallic catalyst is more potential candidate than mono metallic Pt catalyst for HI decomposition in the IS thermochemical cycle. (author)

Design of GA thermochemical water-splitting process for the Mirror Advanced Reactor System

International Nuclear Information System (INIS)

Brown, L.C.

1983-04-01

GA interfaced the sulfur-iodine thermochemical water-splitting cycle to the Mirror Advanced Reactor System (MARS). The results of this effort follow as one section and part of a second section to be included in the MARS final report. This section describes the process and its interface to the reactor. The capital and operating costs for the hydrogen plant are described

Thermochemical cycles based on metal oxides for solar hydrogen production; Ciclos termoquimicos basados en oxidos metalicos para produccion de hidrogeno solar

Energy Technology Data Exchange (ETDEWEB)

Fernandez Saavedra, R.; Quejido Cabezas, J.

2012-11-01

The growing demand for energy requires the development and optimization of alternative energy sources. One of the options currently being investigated is solar hydrogen production with thermochemical cycles. This process involves the use of concentrated solar radiation as an energy source to dissociate water through a series of endothermic and exothermic chemical reactions, for the purpose of obtaining hydrogen on a sustainable basis. Of all the thermochemical cycles that have been evaluated, the most suitable ones for implementation with solar energy are those based on metal oxides. (Author) 20 refs.

Positronium hydride defects in thermochemically reduced alkaline-Earth oxides

International Nuclear Information System (INIS)

Monge, M.A.; Pareja, R.; Gonzalez, R.; Chen, Y.

1997-01-01

Thermochemical reduction of both hydrogen-doped MgO and CaO single crystals results in large concentrations of hydride (H - ) ions. In MgO crystals, positron lifetime and Doppler broadening experiments show that positrons are trapped at H - centers forming positronium hydride molecules [e + - H - ]. A value of 640 ps is obtained for the lifetime of the PsH states located in an anion vacancy In MgO positrons are also trapped at H 2- sites at low temperatures. The H 2- ions were induced in the crystals by blue light illumination. The formation of PsH states in CaO could not be conclusively established. (orig.)

NIST/Sandia/ICDD Electron Diffraction Database: A Database for Phase Identification by Electron Diffraction.

Science.gov (United States)

Carr, M J; Chambers, W F; Melgaard, D; Himes, V L; Stalick, J K; Mighell, A D

1989-01-01

A new database containing crystallographic and chemical information designed especially for application to electron diffraction search/match and related problems has been developed. The new database was derived from two well-established x-ray diffraction databases, the JCPDS Powder Diffraction File and NBS CRYSTAL DATA, and incorporates 2 years of experience with an earlier version. It contains 71,142 entries, with space group and unit cell data for 59,612 of those. Unit cell and space group information were used, where available, to calculate patterns consisting of all allowed reflections with d -spacings greater than 0.8 A for ~ 59,000 of the entries. Calculated patterns are used in the database in preference to experimental x-ray data when both are available, since experimental x-ray data sometimes omits high d -spacing data which falls at low diffraction angles. Intensity data are not given when calculated spacings are used. A search scheme using chemistry and r -spacing (reciprocal d -spacing) has been developed. Other potentially searchable data in this new database include space group, Pearson symbol, unit cell edge lengths, reduced cell edge length, and reduced cell volume. Compound and/or mineral names, formulas, and journal references are included in the output, as well as pointers to corresponding entries in NBS CRYSTAL DATA and the Powder Diffraction File where more complete information may be obtained. Atom positions are not given. Rudimentary search software has been written to implement a chemistry and r -spacing bit map search. With typical data, a full search through ~ 71,000 compounds takes 10~20 seconds on a PDP 11/23-RL02 system.

Characterisation of agroindustrial solid residues as biofuels and potential application in thermochemical processes.

Science.gov (United States)

Virmond, Elaine; De Sena, Rennio F; Albrecht, Waldir; Althoff, Christine A; Moreira, Regina F P M; José, Humberto J

2012-10-01

In the present work, selected agroindustrial solid residues from Brazil - biosolids from meat processing wastewater treatment and mixture of sawdust with these biosolids; residues from apple and orange juice industries; sugarcane bagasse; açaí kernels (Euterpe oleracea) and rice husk - were characterised as solid fuels and an evaluation of their properties, including proximate and ultimate composition, energy content, thermal behaviour, composition and fusibility of the ashes was performed. The lower heating value of the biomasses ranged from 14.31 MJkg(-1) to 29.14 MJkg(-1), on a dry and ash free basis (daf), all presenting high volatile matter content, varying between 70.57 wt.% and 85.36 wt.% (daf) what improves the thermochemical conversion of the solids. The fouling and slagging tendency of the ashes was predicted based on the fuel ash composition and on the ash fusibility correlations proposed in the literature, which is important to the project and operation of biomass conversion systems. The potential for application of the Brazilian agroindustrial solid residues studied as alternative energy sources in thermochemical processes has been identified, especially concerning direct combustion for steam generation. Copyright © 2012 Elsevier Ltd. All rights reserved.

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)

Aerobic dive limits of seals with mutant myoglobin using combined thermochemical and physiological data

DEFF Research Database (Denmark)

Dasmeh, Pouria; Davis, Randall W.; Kepp, Kasper Planeta

2013-01-01

This paper presents an integrated model of convective O2-transport, aerobic dive limits (ADL), and thermochemical data for oxygen binding to mutant myoglobin (Mb), used to quantify the impact of mutations in Mb on the dive limits of Weddell seals (Leptonychotes weddellii). We find that wild-type ...... that such conditions are mostly selected upon in seals. The model is capable of roughly quantifying the physiological impact of single-protein mutations and thus bridges an important gap between animal physiology and molecular (protein) evolution.......This paper presents an integrated model of convective O2-transport, aerobic dive limits (ADL), and thermochemical data for oxygen binding to mutant myoglobin (Mb), used to quantify the impact of mutations in Mb on the dive limits of Weddell seals (Leptonychotes weddellii). We find that wild-type Mb...... traits are only superior under specific behavioral and physiological conditions that critically prolong the ADL, action radius, and fitness of the seals. As an extreme example, the mutations in the conserved His-64 reduce ADL up to 14±2 min for routine aerobic dives, whereas many other mutations...

Definitive Ideal-Gas Thermochemical Functions of the (H2O)-O-16 Molecule

Czech Academy of Sciences Publication Activity Database

Furtenbacher, T.; Szidarovszky, T.; Hrubý, Jan; Kyuberis, A. A.; Zobov, N. F.; Polyansky, O. L.; Tennyson, J.; Császár, A. G.

2016-01-01

Roč. 45, č. 4 (2016), č. článku 043104. ISSN 0047-2689 R&D Projects: GA ČR(CZ) GA16-02647S Institutional support: RVO:61388998 Keywords : ideal-gas thermochemical quantities * ortho- and para-H2 16O * partition function Subject RIV: BJ - Thermodynamics Impact factor: 4.204, year: 2016 http://aip.scitation.org/doi/pdf/10.1063/1.4967723

Comparative studies on thermochemical characterization of corn stover pretreated by white-rot and brown-rot fungi.

Science.gov (United States)

Zeng, Yelin; Yang, Xuewei; Yu, Hongbo; Zhang, Xiaoyu; Ma, Fuying

2011-09-28

The effects of white-rot and brown-rot fungal pretreatment on the chemical composition and thermochemical conversion of corn stover were investigated. Fungus-pretreated corn stover was analyzed by Fourier transform infrared spectroscopy and X-ray diffraction analysis to characterize the changes in chemical composition. Differences in thermochemical conversion of corn stover after fungal pretreatment were investigated using thermogravimetric and pyrolysis analysis. The results indicated that the white-rot fungus Irpex lacteus CD2 has great lignin-degrading ability, whereas the brown-rot fungus Fomitopsis sp. IMER2 preferentially degrades the amorphous regions of the cellulose. The biopretreatment favors thermal decomposition of corn stover. The weight loss of IMER2-treated acid detergent fiber became greater, and the oil yield increased from 32.7 to 50.8%. After CD2 biopretreatment, 58% weight loss of acid detergent lignin was achieved and the oil yield increased from 16.8 to 26.8%.

Thermochemical Kinetics of H2O and HNO3 on crystalline Nitric Acid Hydrates (alpha-, beta-NAT, NAD) in the range 175-200 K

Science.gov (United States)

Rossi, Michel J.; Iannarelli, Riccardo

2015-04-01

The growth of NAT (Nitric Acid Trihydrate, HNO3x3H2O) and NAD (Nitric Acid Dihydrate, HNO3x2H2O) on an ice substrate, the evaporative lifetime of NAT and NAD as well as the interconversion of alpha- and beta-NAT competing with evaporation and growth under UT/LS conditions depends on the interfacial kinetics of H2O and HNO3 vapor on the condensed phase. Despite the existence of some literature results we have embarked on a systematic investigation of the kinetics using a multidiagnostic experimental approach enabled by the simultaneous observation of both the gas (residual gas mass spectrometry) as well as the condensed phase (FTIR absorption in transmission). We report on thermochemically consistent mass accommodation coefficients alpha and absolute evaporation rates Rev/molecule s-1cm-3 as a function of temperature which yields the corresponding vapor pressures of both H2O and HNO3 in equilibrium with the crystalline phases, hence the term thermochemical kinetics. These results have been obtained using a stirred flow reactor (SFR) using a macroscopic pure ice film of 1 micron or so thickness as a starting substrate mimicking atmospheric ice particles and are reported in a phase diagram specifically addressing UT (Upper Troposphere)/LS (Lower Stratosphere) conditions as far as temperature and partial pressures are concerned. The experiments have been performed either at steady-state flow conditions or in transient supersaturation using a pulsed solenoid valve in order to generate gas pulses whose decay were subsequently monitored in real time. Special attention has been given to the effect of the stainless-steel vessel walls in that Langmuir adsorption isotherms for H2O and HNO3 have been used to correct for wall-adsorption of both probe gases. Typically, the accommodation coefficients of H2O and HNO3 are similar throughout the temperature range whereas the rates of evaporation Rev of H2O are significantly larger than for HNO3 thus leading to the difference in

Assessment of thermochemical hydrogen production. Project 61010 (formerly 8994) final report, July 1, 1977-March 31, 1979

Energy Technology Data Exchange (ETDEWEB)

Dafler, J.R.; Foh, S.E.; Lee, T.S.; Schreiber, J.D.

1979-05-01

The Institute of Gas Technology's (IGT) assessment of thermochemical water-splitting processes is given. Eight tasks were performed: evaluation of load-line efficiencies; hydrogen bromide electrolysis; maximum attainable thermal efficiency on a specific bromide hybrid cycle; development of electrolyzer elements for H/sub 2/SO/sub 3/; feasibility of high-temperature reference-state thermochemical cycles; interfacing characteristics - solar high-temperature heat sources; analysis of solar and solar hybrid heat sources; and laboratory assessment of cycle with high-temperature step. Engineering analyses were done on two thermochemical hydrogen production cycles - IGT's cycles B-1 and H-5. The load line efficiency for B-1 was 18.1% and for H-5 37.4%. The electrolysis of HBr (aq) on three substrates: platinum, porous graphite, and vitreous graphite was investigated. Platinum proved to be the most efficient electrode surface, with vitreous graphite showing no promise, and porous graphite showing only slightly better results. On platinum, cell voltages of under 1.0 volt were obtained at current densities up to 200 mA/cm/sup 2/. Five new members of the metal-metal oxide class of cycles were derived. The maximum attainable efficiencies of these high-temperature, two-step cycles range from 64 to 86%. Six high-temperature metal oxide-metal sulfate cycles were derived. Performance and capital costs data for a wide range of solar primary heat sources were tabulated.

Database for Regional Geology, Phase 1: A Tool for Informing Regional Evaluations of Alternative Geologic Media and Decision Making

Energy Technology Data Exchange (ETDEWEB)

Perry, Frank Vinton [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Kelley, Richard E. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Birdsell, Suzanne M. [Clark Univ., Worcester, MA (United States); Lugo, Alexander Bryan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Dobson, Patrick [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Houseworth, James [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

2014-11-12

Reported is progress in the following areas: Phase 1 and 2 websites for the regional geology GIS database; terrane maps of crystalline basement rocks; inventory of shale formations in the US; and rock properties and in-situ conditions for shale estimated from sonic velocity measurements.

Thermochemical and phase diagram studies of the Sn–Zn–Ni system

Czech Academy of Sciences Publication Activity Database

Gandova, V.D.; Brož, P.; Buršík, Jiří; Vassilev, G.P.

2011-01-01

Roč. 524, 1-2 (2011), s. 47-55 ISSN 0040-6031 Institutional research plan: CEZ:AV0Z20410507 Keywords : DSC * solders * Sn-Zn-Ni phase diagram Subject RIV: BJ - Thermodynamics Impact factor: 1.805, year: 2011

Investigation of innovative thermochemical energy storage processes and materials for building applications

OpenAIRE

Aydin, Devrim

2016-01-01

In this study, it is aimed to develop an innovative thermochemical energy storage system through material, reactor and process based investigations for building space heating applications. The developed system could be integrated with solar thermal collectors, photovoltaic panels or heat pumps to store any excess energy in the form of heat for later use. Thereby, it is proposed to address the problem of high operational costs and CO2 emissions released by currently used fossil fuel based heat...

Experimental results of a 3 k Wh thermochemical heat storage module for space heating application

NARCIS (Netherlands)

Finck, C.J.; Henquet, E.M.R.; Soest, C.F.L. van; Oversloot, H.P.; Jong, A.J. de; Cuypers, R.; Spijker, J.C. van 't

2014-01-01

A 3 kWh thermochemical heat storage (TCS) module was built as part of an all-in house system implementation focusing on space heating application at a temperature level of 40 ºC and a temperature lift of 20 K. It has been tested and measurements showed a maximum water circuit temperature span

The coupling effect of gas-phase chemistry and surface reactions on oxygen permeation and fuel conversion in ITM reactors

KAUST Repository

Hong, Jongsup

2015-08-01

© 2015 Elsevier B.V. The effect of the coupling between heterogeneous catalytic reactions supported by an ion transport membrane (ITM) and gas-phase chemistry on fuel conversion and oxygen permeation in ITM reactors is examined. In ITM reactors, thermochemical reactions take place in the gas-phase and on the membrane surface, both of which interact with oxygen permeation. However, this coupling between gas-phase and surface chemistry has not been examined in detail. In this study, a parametric analysis using numerical simulations is conducted to investigate this coupling and its impact on fuel conversion and oxygen permeation rates. A thermochemical model that incorporates heterogeneous chemistry on the membrane surface and detailed chemical kinetics in the gas-phase is used. Results show that fuel conversion and oxygen permeation are strongly influenced by the simultaneous action of both chemistries. It is shown that the coupling somewhat suppresses the gas-phase kinetics and reduces fuel conversion, both attributed to extensive thermal energy transfer towards the membrane which conducts it to the air side and radiates to the reactor walls. The reaction pathway and products, in the form of syngas and C2 hydrocarbons, are also affected. In addition, the operating regimes of ITM reactors in which heterogeneous- or/and homogeneous-phase reactions predominantly contribute to fuel conversion and oxygen permeation are elucidated.

The Lung Image Database Consortium (LIDC) and Image Database Resource Initiative (IDRI): A Completed Reference Database of Lung Nodules on CT Scans

International Nuclear Information System (INIS)

2011-01-01

Purpose: The development of computer-aided diagnostic (CAD) methods for lung nodule detection, classification, and quantitative assessment can be facilitated through a well-characterized repository of computed tomography (CT) scans. The Lung Image Database Consortium (LIDC) and Image Database Resource Initiative (IDRI) completed such a database, establishing a publicly available reference for the medical imaging research community. Initiated by the National Cancer Institute (NCI), further advanced by the Foundation for the National Institutes of Health (FNIH), and accompanied by the Food and Drug Administration (FDA) through active participation, this public-private partnership demonstrates the success of a consortium founded on a consensus-based process. Methods: Seven academic centers and eight medical imaging companies collaborated to identify, address, and resolve challenging organizational, technical, and clinical issues to provide a solid foundation for a robust database. The LIDC/IDRI Database contains 1018 cases, each of which includes images from a clinical thoracic CT scan and an associated XML file that records the results of a two-phase image annotation process performed by four experienced thoracic radiologists. In the initial blinded-read phase, each radiologist independently reviewed each CT scan and marked lesions belonging to one of three categories (''nodule≥3 mm,''''nodule<3 mm,'' and ''non-nodule≥3 mm''). In the subsequent unblinded-read phase, each radiologist independently reviewed their own marks along with the anonymized marks of the three other radiologists to render a final opinion. The goal of this process was to identify as completely as possible all lung nodules in each CT scan without requiring forced consensus. Results: The Database contains 7371 lesions marked ''nodule'' by at least one radiologist. 2669 of these lesions were marked ''nodule≥3 mm'' by at least one radiologist, of which 928 (34.7%) received such marks from all

ARTI Refrigerant Database

Energy Technology Data Exchange (ETDEWEB)

Calm, J.M. [Calm (James M.), Great Falls, VA (United States)

1994-05-27

The Refrigerant Database consolidates and facilitates access to information to assist industry in developing equipment using alternative refrigerants. The underlying purpose is to accelerate phase out of chemical compounds of environmental concern.

Databases in welding engineering - definition and starting phase of the integrated welding engineering information system

International Nuclear Information System (INIS)

Barthelmess, H.; Queren, W.; Stracke, M.

1989-01-01

The structure and function of the Information AAssociation for Welding Engineering, newly established by the Deutscher Verband fuer Schweisstechnik, are presented. Examined are: special literature for welding techniques - value and prospects; databases accessible to the public for information on welding techniques; concept for the Information Association for Welding Engineering; the four phases to establish databasis for facts and expert systems of the Information Association for Welding Engineering; the pilot project 'MVT-Data base' (hot crack data base for data of modified varestraint-transvarestraint tests). (orig./MM) [de

Thermo-chemical Ice Penetrator for Icy Moons

Science.gov (United States)

Arenberg, J. W.; Lee, G.; Harpole, G.; Zamel, J.; Sen, B.; Ross, F.; Retherford, K. D.

2016-12-01

The ability to place sensors or to take samples below the ice surface enables a wide variety of potential scientific investigations. Penetrating an ice cap can be accomplished via a mechanical drill, laser drill, kinetic impactor, or heated penetrator. This poster reports on the development of technology for the latter most option, namely a self-heated probe driven by an exothermic chemical reaction: a Thermo-chemical ice penetrator (TChIP). Our penetrator design employs a eutectic mix of alkali metals that produce an exothermic reaction upon contact with an icy surface. This reaction increases once the ice starts melting, so no external power is required. This technology is inspired by a classified Cold-War era program developed at Northrop Grumman for the US Navy. Terrestrial demonstration of this technology took place in the Arctic; however, this device cannot be considered high TRL for application at the icy moons of the solar system due to the environmental differences between Earth's Arctic and the icy moons. These differences demand a TChIP design specific to these cold, low mass, airless worlds. It is expected that this model of TChIP performance will be complex, incorporating all of the forces on the penetrator, gravity, the thermo-chemistry at the interface between penetrator and ice, and multi-phase heat and mass transport, and hydrodynamics. Our initial efforts are aimed at the development of a validated set of tools and simulations to predict the performance of the penetrator for both the environment found on these icy moons and for a terrestrial environment. The purpose of the inclusion of the terrestrial environment is to aid in model validation. Once developed and validated, our models will allow us to design penetrators for a specific scientific application on a specific body. This poster discusses the range of scientific investigations that are enabled by TChIP. We also introduce the development plan to advance TChIP to the point where it can be

Improving Students' Chemical Literacy Levels on Thermochemical and Thermodynamics Concepts through a Context-Based Approach

Science.gov (United States)

Cigdemoglu, Ceyhan; Geban, Omer

2015-01-01

The aim of this study was to delve into the effect of context-based approach (CBA) over traditional instruction (TI) on students' chemical literacy level related to thermochemical and thermodynamics concepts. Four eleventh-grade classes with 118 students in total taught by two teachers from a public high school in 2012 fall semester were enrolled…

Developments in diffraction databases

International Nuclear Information System (INIS)

Jenkins, R.

1999-01-01

Full text: There are a number of databases available to the diffraction community. Two of the more important of these are the Powder Diffraction File (PDF) maintained by the International Centre for Diffraction Data (ICDD), and the Inorganic Crystal Structure Database (ICSD) maintained by Fachsinformationzentrum (FIZ, Karlsruhe). In application, the PDF has been used as an indispensable tool in phase identification and identification of unknowns. The ICSD database has extensive and explicit reference to the structures of compounds: atomic coordinates, space group and even thermal vibration parameters. A similar database, but for organic compounds, is maintained by the Cambridge Crystallographic Data Centre. These databases are often used as independent sources of information. However, little thought has been given on how to exploit the combined properties of structural database tools. A recently completed agreement between ICDD and FIZ, plus ICDD and Cambridge, provides a first step in complementary use of the PDF and the ICSD databases. The focus of this paper (as indicated below) is to examine ways of exploiting the combined properties of both databases. In 1996, there were approximately 76,000 entries in the PDF and approximately 43,000 entries in the ICSD database. The ICSD database has now been used to calculate entries in the PDF. Thus, to derive d-spacing and peak intensity data requires the synthesis of full diffraction patterns, i.e., we use the structural data in the ICSD database and then add instrumental resolution information. The combined data from PDF and ICSD can be effectively used in many ways. For example, we can calculate PDF data for an ideally random crystal distribution and also in the absence of preferred orientation. Again, we can use systematic studies of intermediate members in solid solutions series to help produce reliable quantitative phase analyses. In some cases, we can study how solid solution properties vary with composition and

Static Thermochemical Model of COREX Melter Gasifier

Science.gov (United States)

Srishilan, C.; Shukla, Ajay Kumar

2018-02-01

COREX is one of the commercial smelting reduction processes. It uses the finer size ore and semi-soft coal instead of metallurgical coke to produce hot metal from iron ore. The use of top gas with high calorific value as a by-product export gas makes the process economical and green. The predictive thermochemical model of the COREX process presented here enables rapid computation of process parameters such as (1) required amount of ore, coal, and flux; (2) amount of slag and gas generated; and (3) gas compositions (based on the raw material and desired hot metal quality). The model helps in predicting the variations in process parameters with respect to the (1) degree of metallization and (2) post-combustion ratio for given raw material conditions. In general reduction in coal, flux, and oxygen, the requirement is concomitant with an increase in the degree of metallization and post-combustion ratio. The model reported here has been benchmarked using industrial data obtained from the JSW Steel Plant, India.

Thermochemical equilibrium modelling of a gasifying process

International Nuclear Information System (INIS)

Melgar, Andres; Perez, Juan F.; Laget, Hannes; Horillo, Alfonso

2007-01-01

This article discusses a mathematical model for the thermochemical processes in a downdraft biomass gasifier. The model combines the chemical equilibrium and the thermodynamic equilibrium of the global reaction, predicting the final composition of the producer gas as well as its reaction temperature. Once the composition of the producer gas is obtained, a range of parameters can be derived, such as the cold gas efficiency of the gasifier, the amount of dissociated water in the process and the heating value and engine fuel quality of the gas. The model has been validated experimentally. This work includes a parametric study of the influence of the gasifying relative fuel/air ratio and the moisture content of the biomass on the characteristics of the process and the producer gas composition. The model helps to predict the behaviour of different biomass types and is a useful tool for optimizing the design and operation of downdraft biomass gasifiers

Construction apparatus for thermochemical hydrogen production process

Energy Technology Data Exchange (ETDEWEB)

Kubo, S.; Nakajima, H.; Higashi, S.; Onuki, K.; Akino, S.S.N. [Japan Atomic Energy Research Inst., Ibaraki-ken (Japan). Nuclear Heat Utilization Engineering Lab

2001-06-01

Studies have been carried out at the Japan Atomic Energy Research Institute (JAERI) on hydrogen production through thermochemical processes such as water-splitting. These studies are classified with iodine-sulphur cycle studies using heat from high temperature gas-cooled reactors. An experimental apparatus was constructed with fluorine resin, glass and quartz. It can produce hydrogen at a rate of 50 litres per hour. Electricity provides the heat required for the operation. The closed chemical process requires special control techniques. The process flow diagram for the apparatus was designed based on the results of previous studies including one where hydrogen production was successfully achieved at a rate of one liter per hour for 48 hours. Experimental operations under atmospheric pressure will be carried out for the next four years to develop the process. The data will be used in the next research and development programs aimed at designing a bench-scale apparatus. 7 refs., 1 tab., 8 figs.

Pultrusion of a vertical axis wind turbine blade part-I: 3D thermo-chemical process simulation

NARCIS (Netherlands)

Baran, Ismet; Tutum, Cem C.; Hattel, Jesper H.; Akkerman, Remko

2015-01-01

A novel three dimensional thermo-chemical simulation of the pultrusion process is presented. A simulation is performed for the pultrusion of a NACA0018 blade profile having a curved geometry, as a part of the DeepWind project. The finite element/nodal control volume (FE/NCV) technique is used.

Pultrusion of a vertical axis wind turbine blade part-I: 3D thermo-chemical process simulation

DEFF Research Database (Denmark)

Baran, Ismet; Tutum, Cem Celal; Hattel, Jesper Henri

2015-01-01

novel three dimensional thermo-chemical simulation of the pultrusion process is presented. A simulation is performed for the pultrusion of a NACA0018 blade profile having a curved geometry, as a part of the DeepWind project. The finite element/nodal control volume (FE/NCV) technique is used. First...

Conceptual design model of the sulfur-iodine S-I thermochemical water splitting process for hydrogen production using nuclear heat source

International Nuclear Information System (INIS)

Gonzalez Rodriguez, Daniel; Parra, Lazaro Garcia

2011-01-01

Hydrogen is the most indicated candidate for its implementation as energy carrier in a future sustainable scenario. The current hydrogen production is based on fossils fuels; they have a huge contribution to the atmosphere pollution. Thermochemical water-splitting cycles do not have this issue because they use solar or nuclear heat; their environment impact is smaller than conventional fuels. The software based on chemical process simulation (CPS) can be used to simulate the thermochemical water splitting cycle Sulfur-Iodine for hydrogen production. In the paper is developed a model for Sulfur-Iodine process in order to analyze his sensibility and calculate the efficiency and the influence of many parameters on this value. (author)

Conceptual design model of the sulfur-iodine S-I thermochemical water splitting process for hydrogen production using nuclear heat source

Energy Technology Data Exchange (ETDEWEB)

Gonzalez Rodriguez, Daniel; Parra, Lazaro Garcia, E-mail: dgr@instec.cu, E-mail: lgarcia@instec.cu [Departamento de Ingenieria Nuclear, Instituto Superior de Ciencias y Tecnologias Aplicadas, La Habana (Cuba)

2011-07-01

Hydrogen is the most indicated candidate for its implementation as energy carrier in a future sustainable scenario. The current hydrogen production is based on fossils fuels; they have a huge contribution to the atmosphere pollution. Thermochemical water-splitting cycles do not have this issue because they use solar or nuclear heat; their environment impact is smaller than conventional fuels. The software based on chemical process simulation (CPS) can be used to simulate the thermochemical water splitting cycle Sulfur-Iodine for hydrogen production. In the paper is developed a model for Sulfur-Iodine process in order to analyze his sensibility and calculate the efficiency and the influence of many parameters on this value. (author)

The CAPEC Database

DEFF Research Database (Denmark)

Nielsen, Thomas Lund; Abildskov, Jens; Harper, Peter Mathias

2001-01-01

in the compound. This classification makes the CAPEC database a very useful tool, for example, in the development of new property models, since properties of chemically similar compounds are easily obtained. A program with efficient search and retrieval functions of properties has been developed.......The Computer-Aided Process Engineering Center (CAPEC) database of measured data was established with the aim to promote greater data exchange in the chemical engineering community. The target properties are pure component properties, mixture properties, and special drug solubility data....... The database divides pure component properties into primary, secondary, and functional properties. Mixture properties are categorized in terms of the number of components in the mixture and the number of phases present. The compounds in the database have been classified on the basis of the functional groups...

Ceramic carbon electrode-based anodes for use in the Cu-Cl thermochemical cycle

Energy Technology Data Exchange (ETDEWEB)

Ranganathan, Santhanam; Easton, E. Bradley [Faculty of Science, University of Ontario Institute of Technology, 2000 Simcoe Street North, Oshawa, Ontario (Canada)

2010-05-15

We have investigated CCE materials prepared using 3-aminopropyl trimethoxysilane. Electrochemical experiments were performed to characterize their suitability as anode electrode materials for use in the electrochemical step of the Cu-Cl thermochemical cycle. CCE-based electrodes vastly outperform a bare carbon electrode. Optimization of the organosilicate loading revealed maximum electrode performance was achieved with 36 wt% and was explained in terms of the optimal balance of active area and anion transport properties. (author)

JREM: An Approach for Formalising Models in the Requirements Phase with JSON and NoSQL Databases

OpenAIRE

Aitana Alonso-Nogueira; Helia Estévez-Fernández; Isaías García

2017-01-01

This paper presents an approach to reduce some of its current flaws in the requirements phase inside the software development process. It takes the software requirements of an application, makes a conceptual modeling about it and formalizes it within JSON documents. This formal model is lodged in a NoSQL database which is document-oriented, that is, MongoDB, because of its advantages in flexibility and efficiency. In addition, this paper underlines the contributions of the detailed approach a...

Improvement in Performance of a Thermochemical Heat Storage System by Implementing an Internal Heat Recovery System

NARCIS (Netherlands)

Gaeini, M.; Saris, L.; Zondag, H.A.; Rindt, C.C.M.

A lab-scale prototype of a thermochemical heat storage system, employing a water-zeolite 13X as the working pair, is designed and optimized for providing hot tap water. During the hydration process, humid air is introduced to the packed bed reactor filled with dehydrated zeolite 13X, and the

Optimization of waste to energy routes through biochemical and thermochemical treatment options of municipal solid waste in Hyderabad, Pakistan

International Nuclear Information System (INIS)

Korai, Muhammad Safar; Mahar, Rasool Bux; Uqaili, Muhammad Aslam

2016-01-01

Highlights: • Existing practice of municipal solid waste management of Hyderabad city, Pakistan have been analyzed. • Development of scenarios on basis of nature of waste components for optimizing waste to energy route. • Analyzing the biochemical and thermochemical potential of MSW through various scenarios. • Evaluation of various treatment technologies under scenarios to optimize waste to energy route. - Abstract: Improper disposal of municipal solid waste (MSW) has created many environmental problems in Pakistan and the country is facing energy shortages as well. The present study evaluates the biochemical and thermochemical treatment options of MSW in order to address both the endemic environmental challenges and in part the energy shortage. According to the nature of waste components, a number of scenarios were developed to optimize the waste to energy (WTE) routes. The evaluation of treatment options has been performed by mathematical equations using the special characteristics of MSW. The power generation potential (PGP) of biochemical (anaerobic digestion) has been observed in the range of 5.9–11.3 kW/ton day under various scenarios. The PGP of Refuse Derived Fuel (RDF), Mass Burn Incinerator (MBI), Gasification/Pyrolysis (Gasi./Pyro.) and Plasma Arc Gasification (PAG) have been found to be in the range of 2.7–118.6 kW/ton day, 3.8–164.7 kW/ton day, 4.2–184.5 kW/ton day and 5.2–224 kW/ton day, respectively. The highest values of biochemical and all thermochemical technologies have been obtained through the use of scenarios including the putrescible components (PCs) of MSW such as food and yard wastes, and the non-biodegradable components (NBCs) of MSW such as plastic, rubber, leather, textile and wood respectively. Therefore, routes which include these components are the optimized WTE routes for maximum PGP by biochemical and thermochemical treatments of MSW. The findings of study lead to recommend that socio-economic and environmental

Thermodynamic database for the Co-Pr system

Directory of Open Access Journals (Sweden)

S.H. Zhou

2016-03-01

Full Text Available In this article, we describe data on (1 compositions for both as-cast and heat treated specimens were summarized in Table 1; (2 the determined enthalpy of mixing of liquid phase is listed in Table 2; (3 thermodynamic database of the Co-Pr system in TDB format for the research articled entitle Chemical partitioning for the Co-Pr system: First-principles, experiments and energetic calculations to investigate the hard magnetic phase W. Keywords: Thermodynamic database of Co-Pr, Solution calorimeter measurement, Phase diagram Co-Pr

Interconversion of pollutants from the gaseous to the condensed phase. Technical progress report - brief summary of recent findings, March 1, 1983-August 31, 1983

International Nuclear Information System (INIS)

1983-01-01

Purpose of the studies were to provide new information on the interconversion of pollutants from the gaseous to the condensed phase. More information were obtained on mechanisms of cluster formation, leading to the production of prenucleation embryos, rates of phase transformation, and the thermochemical properties and photochemical stability of the species involved. Systems studied included nitric acid, ammonia, sulfuric acid, carbonic acid, etc

Thermochemical studies on complex of [Sm(o-NBA)_3phen]_2

Institute of Scientific and Technical Information of China (English)

肖圣雄; 张建军; 李旭; 李强国; 任宁; 李环

2010-01-01

A ternary complex [Sm(o-NBA)3phen]2 (o-NBA: o-Nitrobenzoate; phen: 1,10-phenanthroline) was synthesized and characterized by elemental analysis, IR, molar conductance, and thermogravimetric analysis. The dissolution enthalpies of SmCl3·6H2O(s), o-HNBA(s) and phen·H2O(s) in mixed solvent (VHCl :VDMF :VDMSO=2:2:1) were determined by calorimetry at 298.15 K. The enthalpy change of the reaction was determined to be rHmΔθ=252.49±1.60 kJ/mol. Using the relevant data in the literature and a thermochemical recycle ...

Radioisotope methods of investigations of phenomenons at phases border of steel - atmosphere in gaseous processes of thermochemical treatment of steel

International Nuclear Information System (INIS)

L'utse-Birk, A.; Bel'ski, V.; Vez'ranovski, Eh.; Valis', L.

1979-01-01

Radioisotope methods of investigations of the processes of thermochemical treatment of steels are valuable, and in some cases, the only means for analysis of complicated mechanisms of diffusion, absorption and chemical reactions, going on in some technological processes. New specific methods are stated for investigation of processes on the border between steel and gaseous atmosphere. Quantative method nas been developed for investigation of the kinetics of carbon transfere (labelled by carbon-14) from steel into gases. Hydrocarbons and their derivatives are adsorbed selectivelly and beta-activity of the compound is measured in the presence of liquid scintillators. Limiting detectable amount of carbon equals to 0.5μg. Application of labelled (by radioisotope iron-59) iron in steel has ensured a possibility to determine its participation in reactions with chromium and titanum coating atmospheres. Application of hydrocarbons labelled by carbon-14 in the composition of titanum coating atmosphere has permitted to determine, in comparison with investigation of carbon diffusion in steel, participation of two different carbon sources in the forming of the TiC layer on steel and has led to the optimization of processes, especially for low-carbon steels [ru

Thermochemical parameters of minerals from oxygen-buffered hydrothermal equilibrium data: Method, application to annite and almandine

Science.gov (United States)

Zen, E.-A.

1973-01-01

Reversed univariant hydrothermal phase-equilibrium reactions, in which a redox reaction occurs and is controlled by oxygen buffers, can be used to extract thermochemical data on minerals. The dominant gaseous species present, even for relatively oxidizing buffers such as the QFM buffer, are H2O and H2; the main problem is to calculate the chemical potentials of these components in a binary mixture. The mixing of these two species in the gas phase was assumed by Eugster and Wones (1962) to be ideal; this assumption allows calculation of the chemical potentials of the two components in a binary gas mixture, using data in the literature. A simple-mixture model of nonideal mixing, such as that proposed by Shaw (1967), can also be combined with the equations of state for oxygen buffers to permit derivation of the chemical potentials of the two components. The two mixing models yield closely comparable results for the more oxidizing buffers such as the QFM buffer. For reducing buffers such as IQF, the nonideal-mixing correction can be significant and the Shaw model is better. The procedure of calculation of mineralogical thermochemical data, in reactions where hydrogen and H2O simultaneously appear, is applied to the experimental data on annite, given by Wones et al. (1971), and on almandine, given by Hsu (1968). For annite the results are: Standard entropy of formation from the elements, Sf0 (298, 1)=-283.35??2.2 gb/gf, S0 (298, 1) =+92.5 gb/gf. Gf0 (298, 1)=-1148.2??6 kcal, and Hf0 (298, 1)=-1232.7??7 kcal. For almandine, the calculation takes into account the mutual solution of FeAl2O4 (Hc) in magnetite and of Fe3O4 (Mt) in hercynite and the temperature dependence of this solid solution, as given by Turnock and Eugster (1962); the calculations assume a regular-solution model for this binary spinel system. The standard entropy of formation of almandine, Sf,A0 (298, 1) is -272.33??3 gb/gf. The third law entropy, S0 (298, 1) is +68.3??3 gb/gf, a value much less than the

OECD/NEA data bank scientific and integral experiments databases in support of knowledge preservation and transfer

International Nuclear Information System (INIS)

Sartori, E.; Kodeli, I.; Mompean, F.J.; Briggs, J.B.; Gado, J.; Hasegawa, A.; D'hondt, P.; Wiesenack, W.; Zaetta, A.

2004-01-01

The OECD/Nuclear Energy Data Bank was established by its member countries as an institution to allow effective sharing of knowledge and its basic underlying information and data in key areas of nuclear science and technology. The activities as regards preserving and transferring knowledge consist of the: 1) Acquisition of basic nuclear data, computer codes and experimental system data needed over a wide range of nuclear and radiation applications; 2) Independent verification and validation of these data using quality assurance methods, adding value through international benchmark exercises, workshops and meetings and by issuing relevant reports with conclusions and recommendations, as well as by organising training courses to ensure their qualified and competent use; 3) Dissemination of the different products to authorised establishments in member countries and collecting and integrating user feedback. Of particular importance has been the establishment of basic and integral experiments databases and the methodology developed with the aim of knowledge preservation and transfer. Databases established thus far include: 1) IRPhE - International Reactor Physics Experimental Benchmarks Evaluations, 2) SINBAD - a radiation shielding experiments database (nuclear reactors, fusion neutronics and accelerators), 3) IFPE - International Fuel Performance Benchmark Experiments Database, 4) TDB - The Thermochemical Database Project, 5) ICSBE - International Nuclear Criticality Safety Benchmark Evaluations, 6) CCVM - CSNI Code Validation Matrix of Thermal-hydraulic Codes for LWR LOCA and Transients. This paper will concentrate on knowledge preservation and transfer concepts and methods related to some of the integral experiments and TDB. (author)

Membranes for H2 generation from nuclear powered thermochemical cycles

International Nuclear Information System (INIS)

Nenoff, Tina Maria; Ambrosini, Andrea; Garino, Terry J.; Gelbard, Fred; Leung, Kevin; Navrotsky, Alexandra; Iyer, Ratnasabapathy G.; Axness, Marlene

2006-01-01

In an effort to produce hydrogen without the unwanted greenhouse gas byproducts, high-temperature thermochemical cycles driven by heat from solar energy or next-generation nuclear power plants are being explored. The process being developed is the thermochemical production of Hydrogen. The Sulfur-Iodide (SI) cycle was deemed to be one of the most promising cycles to explore. The first step of the SI cycle involves the decomposition of H 2 SO 4 into O 2 , SO 2 , and H 2 O at temperatures around 850 C. In-situ removal of O 2 from this reaction pushes the equilibrium towards dissociation, thus increasing the overall efficiency of the decomposition reaction. A membrane is required for this oxygen separation step that is capable of withstanding the high temperatures and corrosive conditions inherent in this process. Mixed ionic-electronic perovskites and perovskite-related structures are potential materials for oxygen separation membranes owing to their robustness, ability to form dense ceramics, capacity to stabilize oxygen nonstoichiometry, and mixed ionic/electronic conductivity. Two oxide families with promising results were studied: the double-substituted perovskite A x Sr 1-x Co 1-y B y O 3-δ (A=La, Y; B=Cr-Ni), in particular the family La x Sr 1-x Co 1-y Mn y O 3-δ (LSCM), and doped La 2 Ni 1-x M x O 4 (M = Cu, Zn). Materials and membranes were synthesized by solid state methods and characterized by X-ray and neutron diffraction, SEM, thermal analyses, calorimetry and conductivity. Furthermore, we were able to leverage our program with a DOE/NE sponsored H 2 SO 4 decomposition reactor study (at Sandia), in which our membranes were tested in the actual H 2 SO 4 decomposition step

The Lung Image Database Consortium (LIDC) and Image Database Resource Initiative (IDRI): A Completed Reference Database of Lung Nodules on CT Scans

Energy Technology Data Exchange (ETDEWEB)

NONE

2011-02-15

Purpose: The development of computer-aided diagnostic (CAD) methods for lung nodule detection, classification, and quantitative assessment can be facilitated through a well-characterized repository of computed tomography (CT) scans. The Lung Image Database Consortium (LIDC) and Image Database Resource Initiative (IDRI) completed such a database, establishing a publicly available reference for the medical imaging research community. Initiated by the National Cancer Institute (NCI), further advanced by the Foundation for the National Institutes of Health (FNIH), and accompanied by the Food and Drug Administration (FDA) through active participation, this public-private partnership demonstrates the success of a consortium founded on a consensus-based process. Methods: Seven academic centers and eight medical imaging companies collaborated to identify, address, and resolve challenging organizational, technical, and clinical issues to provide a solid foundation for a robust database. The LIDC/IDRI Database contains 1018 cases, each of which includes images from a clinical thoracic CT scan and an associated XML file that records the results of a two-phase image annotation process performed by four experienced thoracic radiologists. In the initial blinded-read phase, each radiologist independently reviewed each CT scan and marked lesions belonging to one of three categories (''nodule{>=}3 mm,''''nodule<3 mm,'' and ''non-nodule{>=}3 mm''). In the subsequent unblinded-read phase, each radiologist independently reviewed their own marks along with the anonymized marks of the three other radiologists to render a final opinion. The goal of this process was to identify as completely as possible all lung nodules in each CT scan without requiring forced consensus. Results: The Database contains 7371 lesions marked ''nodule'' by at least one radiologist. 2669 of these lesions were marked &apos

Evaluation energy efficiency of bioconversion knot rejects to ethanol in comparison to other thermochemically pretreated biomass

Science.gov (United States)

Zhaojiang Wang; Menghua Qin; J.Y. Zhu; Guoyu Tian; Zongquan. Li

2013-01-01

Rejects from sulfite pulp mill that otherwise would be disposed of by incineration were converted to ethanol by a combined physical–biological process that was comprised of physical refining and simultaneous saccharification and fermentation (SSF). The energy efficiency was evaluated with comparison to thermochemically pretreated biomass, such as those pretreated by...

Phase equilibria in the BaUO3-BaZrO3-BaMoO3 system

International Nuclear Information System (INIS)

Kurosaki, Ken; Yamanaka, Shinsuke; Matsuda, Tetsushi; Uno, Masayoshi; Yamamoto, Kazuya; Namekawa, Takashi

2002-01-01

The phase equilibria in the pseudo-ternary BaUO 3 -BaZrO 3 -BaMoO 3 system were studied to understand the thermochemical properties of the perovskite type gray oxide phase in high burnup MOX fuel. Thermodynamic equilibrium calculation for the system was performed by using a Chem Sage program under the various oxygen potentials. Solid solutions existing in the system were treated by an ideal solution model. The present calculation results well agreed with the previous reported post irradiation examination results, showing that BaMoO 3 was scarcely included in the gray oxide phase. (author)

Sustainable energy with thermochemical storage; Duurzame energie met thermochemische opslag

Energy Technology Data Exchange (ETDEWEB)

Bakker, M. [ECN Efficiency and Infrastructure, Petten (Netherlands)

2010-03-15

The Energy research Centre of the Netherlands ECN) foresees an important role for heat in sustainable construction of buildings. Using salt hydrates the surplus of heat can be stored in the summer which then can be used in the winter. By means of thermochemical storage natural gas for heating tap water or houses is no longer necessary. [Dutch] Energieonderzoek Centrum Nederland (ECN) ziet voor warmteopslag een belangrijke rol weggelegd in het duurzaam bouwen. Met behulp van zouthydraten kan de overtollige warmte in de zomer opgeslagen worden om deze in de winter weer vrij te maken. Met deze thermochemische opslag is in de nabije toekomst aardgas overbodig voor de verwarming van kraanwater of woonhuis.

Thermochemical storage for long‐term low‐temperature applications : a review on current research at material and prototype scales

NARCIS (Netherlands)

Scapino, L.; Zondag, H.A.; van Bael, J.; Diriken, J.; Rindt, C.C.M.

2016-01-01

Thermochemical heat storage has the potential to store large amount of energy from renewables and other intermittent distributed sources, ideally without losses typical of sensible heat storage. owever, in order to have a commercially attractive system able to compete with conventional storage

Thermochemical and thermophysical properties of minor actinide compounds

International Nuclear Information System (INIS)

Minato, Kazuo; Takano, Masahide; Otobe, Haruyoshi; Nishi, Tsuyoshi; Akabori, Mitsuo; Arai, Yasuo

2009-01-01

Burning or transmutation of minor actinides (MA: Np, Am, Cm) that are classified as the high-level radioactive waste in the current nuclear fuel cycle is an option for the advanced nuclear fuel cycle. Although the thermochemical and thermophysical properties of minor actinide compounds are essential for the design of MA-bearing fuels and analysis of their behavior, the experimental data on minor actinide compounds are limited. To support the research and development of the MA-bearing fuels, the property measurements were carried out on minor actinide nitrides and oxides. The lattice parameters and their thermal expansions were measured by high-temperature X-ray diffractometry. The specific heat capacities were measured by drop calorimetry and the thermal diffusivities by laser-flash method. The thermal conductivities were determined by the specific heat capacities, thermal diffusivities and densities. The oxygen potentials were measured by electromotive force method.

Final Report UCLA-Thermochemical Storage with Anhydrous Ammonia

Energy Technology Data Exchange (ETDEWEB)

Lavine, Adrienne [Univ. of California, Los Angeles, CA (United States)

2018-02-05

In ammonia-based thermochemical energy storage (TCES), ammonia is dissociated endothermically as it absorbs solar energy during the daytime. When energy is required, the reverse reaction releases energy to heat a working fluid such as steam, to produce electricity. Ammonia-based TCES has great advantages of simplicity, low cost reactants, and a strong industrial base in the conventional ammonia industry. The concept has been demonstrated over three decades of research at Australian National University, achieving a 24-hour demonstration of a complete system. At the start of this project, three challenges were identified that would have to be addressed to show that the system is technically and economically viable for incorporation into a CSP plant with an advanced, high temperature power block. All three of these challenges have now been addressed: 1. The ammonia synthesis reaction had not, to our knowledge, been carried out at temperatures consistent with modern power blocks (i.e., ~650°C). The technical feasibility of operating a reactor under high-temperature, near-equilibrium conditions was an unknown, and was therefore a technical risk. The project has successfully demonstrated steam heating to 650°C and energy recovery to steam at the 5 kWt level. 2. The ammonia system has a relatively low enthalpy of reaction combined with gas phase reactants. This is not a direct disadvantage since the reactants themselves are low cost. The challenge lies in storing the required volume of reactants cost effectively. Therefore, a second key goal was to show, through techno-economic analysis, that underground storage technologies can be used to store the energy-rich gas at a cost that is consistent with the SunShot cost goal. We have identified two promising technologies for gas storage: storage in salt caverns has an estimated cost of 1(USD)/kWht and storage in drilled shafts could be on the order of 7(USD)/kWht. Together these two options answer the technical challenge

An experimental test plan for the characterization of molten salt thermochemical properties in heat transport systems

International Nuclear Information System (INIS)

Calderoni, Pattrick

2010-01-01

Molten salts are considered within the Very High Temperature Reactor program as heat transfer media because of their intrinsically favorable thermo-physical properties at temperatures starting from 300 C and extending up to 1200 C. In this context two main applications of molten salt are considered, both involving fluoride-based materials: as primary coolants for a heterogeneous fuel reactor core and as secondary heat transport medium to a helium power cycle for electricity generation or other processing plants, such as hydrogen production. The reference design concept here considered is the Advanced High Temperature Reactor (AHTR), which is a large passively safe reactor that uses solid graphite-matrix coated-particle fuel (similar to that used in gas-cooled reactors) and a molten salt primary and secondary coolant with peak temperatures between 700 and 1000 C, depending upon the application. However, the considerations included in this report apply to any high temperature system employing fluoride salts as heat transfer fluid, including intermediate heat exchangers for gas-cooled reactor concepts and homogeneous molten salt concepts, and extending also to fast reactors, accelerator-driven systems and fusion energy systems. The purpose of this report is to identify the technical issues related to the thermo-physical and thermo-chemical properties of the molten salts that would require experimental characterization in order to proceed with a credible design of heat transfer systems and their subsequent safety evaluation and licensing. In particular, the report outlines an experimental R and D test plan that would have to be incorporated as part of the design and operation of an engineering scaled facility aimed at validating molten salt heat transfer components, such as Intermediate Heat Exchangers. This report builds on a previous review of thermo-physical properties and thermo-chemical characteristics of candidate molten salt coolants that was generated as part

An experimental test plan for the characterization of molten salt thermochemical properties in heat transport systems

Energy Technology Data Exchange (ETDEWEB)

Pattrick Calderoni

2010-09-01

Molten salts are considered within the Very High Temperature Reactor program as heat transfer media because of their intrinsically favorable thermo-physical properties at temperatures starting from 300 C and extending up to 1200 C. In this context two main applications of molten salt are considered, both involving fluoride-based materials: as primary coolants for a heterogeneous fuel reactor core and as secondary heat transport medium to a helium power cycle for electricity generation or other processing plants, such as hydrogen production. The reference design concept here considered is the Advanced High Temperature Reactor (AHTR), which is a large passively safe reactor that uses solid graphite-matrix coated-particle fuel (similar to that used in gas-cooled reactors) and a molten salt primary and secondary coolant with peak temperatures between 700 and 1000 C, depending upon the application. However, the considerations included in this report apply to any high temperature system employing fluoride salts as heat transfer fluid, including intermediate heat exchangers for gas-cooled reactor concepts and homogenous molten salt concepts, and extending also to fast reactors, accelerator-driven systems and fusion energy systems. The purpose of this report is to identify the technical issues related to the thermo-physical and thermo-chemical properties of the molten salts that would require experimental characterization in order to proceed with a credible design of heat transfer systems and their subsequent safety evaluation and licensing. In particular, the report outlines an experimental R&D test plan that would have to be incorporated as part of the design and operation of an engineering scaled facility aimed at validating molten salt heat transfer components, such as Intermediate Heat Exchangers. This report builds on a previous review of thermo-physical properties and thermo-chemical characteristics of candidate molten salt coolants that was generated as part of the

Fundamental thermochemical properties of amino acids: gas-phase and aqueous acidities and gas-phase heats of formation.

Science.gov (United States)

Stover, Michele L; Jackson, Virgil E; Matus, Myrna H; Adams, Margaret A; Cassady, Carolyn J; Dixon, David A

2012-03-08

The gas-phase acidities of the 20 L-amino acids have been predicted at the composite G3(MP2) level. A broad range of structures of the neutral and anion were studied to determine the lowest energy conformer. Excellent agreement is found with the available experimental gas-phase deprotonation enthalpies, and the calculated values are within experimental error. We predict that tyrosine is deprotonated at the CO(2)H site. Cysteine is predicted to be deprotonated at the SH but the proton on the CO(2)H is shared with the S(-) site. Self-consistent reaction field (SCRF) calculations with the COSMO parametrization were used to predict the pK(a)'s of the non-zwitterion form in aqueous solution. The differences in the non-zwitterion pK(a) values were used to estimate the free energy difference between the zwitterion and nonzwitterion forms in solution. The heats of formation of the neutral compounds were calculated from atomization energies and isodesmic reactions to provide the first reliable set of these values in the gas phase. Further calculations were performed on five rare amino acids to predict their heats of formation, acidities, and pK(a) values.

Feasibility and comparative studies of thermochemical liquefaction of Camellia oleifera cake in different supercritical organic solvents for producing bio-oil

International Nuclear Information System (INIS)

Chen, Hongmei; Zhai, Yunbo; Xu, Bibo; Xiang, Bobin; Zhu, Lu; Li, Ping; Liu, Xiaoting; Li, Caiting; Zeng, Guangming

2015-01-01

Highlights: • Thermochemical liquefaction of COC was a prominent process for producing bio-oil. • Type of solvent affected the yield and composition of bio-oil considerably. • Liquefaction of COC in SCEL at 300 °C was preferred for producing bio-oil. - Abstract: Thermochemical liquefaction of Camellia oleifera cake (COC) for producing bio-oil was conducted in supercritical methanol (SCML), ethanol (SCEL) and acetone (SCAL), respectively. GC–MS, elemental analysis and ICP-OES were used to characterize properties of bio-oil. Results showed that thermochemical liquefaction of COC was a prominent process for generating bio-oil. Increase of temperature was beneficial to the increase of bio-oil yield, and yield of bio-oil followed the sequence of SCAL > SCEL > SCML. In spite of the highest bio-oil yield, the lowest calorific value and highest contents of Zn, Pb, Cd, Ni, Fe, Mn, and Cr were found in bio-oil from SCAL. Though SCML has very similar bio-oil composition and calorific value with SCEL, higher bio-oil yield and lower contents of heavy metals could be obtained with SCEL, especially in bio-oil from SCEL at 300 °C. Moreover, the origin of ethanol could make the bio-oil product totally renewable. Therefore, liquefaction of COC in SCEL at 300 °C could have great potential in generating bio-oil

Efficiency of the sulfur–iodine thermochemical water splitting process for hydrogen production based on ADS (accelerator driven system)

International Nuclear Information System (INIS)

García, Lázaro; González, Daniel; García, Carlos; García, Laura; Brayner, Carlos

2013-01-01

The current hydrogen production is based on fossil fuels; they have a huge contribution to the atmosphere's pollution. Thermochemical water splitting cycles don't present this issue because the required process heat is obtained from nuclear energy and therefore, the environmental impact is smaller than using conventional fuels. Although, solar hydrogen production could be also used for practical applications because it's lower environmental impact. One of the promising approaches to produce large quantities of hydrogen in an efficient way using nuclear energy is the sulfur–iodine (S–I) thermochemical water splitting cycle. The nuclear source proposed in this paper is a pebble bed gas cooled transmutation facility. Pebble bed very high temperature advanced systems have great perspectives to assume the future nuclear energy. Softwares based on CPS (chemical process simulation) can be used to simulate the thermochemical water splitting sulfur-iodine cycle for hydrogen production. In this paper, a model for analyzing the sulfur-iodine process sensibility respect to the thermodynamics parameters: temperature, pressure and mass flow is developed. Efficiency is also calculated and the influence of different parameters on this value. The behavior of the proposed model for different values of initial reactant's flow, is analyzed. - Highlights: • Chemical Process Simulation (CPS) of the complete sulfur iodine cycle. • Conceptual design of an accelerator driven system for hydrogen production. • Radial and axial temperature profile for the end of stationary cycle (EOC). • Thermal stability of the sulfuric and hydriodic acid sections determination. • Sulfur iodine cycle efficiency analyses for different heat flow from the ADS

Phase transformation in a Ni-Mo-Cr alloy

International Nuclear Information System (INIS)

Dymek, S.; Wrobel, M.; Blicharski, M.; Dollar, M.

2001-01-01

The paper gives a characteristic of a nickel-based superalloy containing 25 wt.% Mo and 8 wt.% Cr with particular attention to the influence of a thermochemical and heat treatment on phase transformations. The applied heat treatments are comprised of soaking temperature 1100 o C followed by aging at 650 o C at three conditions: conventional aging for 72 hours, prolonged aging for 4000 hours and prolonged aging for 4000 hours followed by cold working and subsequent aging for 1000 hours. The conventional aging led to the formation of lenticular precipitates of the dispersed metastable Ni 2 (Mo,Cr) phase. The aging for 4000 hours brought about coarsening of the ordered domains without changing their crystallographic and ordering characteristics. The plastic deformation preceded the further aging for 1000 hours accelerated the decomposition of the Ni 2 (Mo,Cr) phase on the mixture of the Ni 3 Mo and Ni 4 Mo-based phases. (author)

A Sustainable Spacecraft Component Database Solution, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — Numerous spacecraft component databases have been developed to support NASA, DoD, and contractor design centers and design tools. Despite the clear utility of...

Development and thermochemical characterizations of vermiculite/SrBr_2 composite sorbents for low-temperature heat storage

International Nuclear Information System (INIS)

Zhang, Y.N.; Wang, R.Z.; Zhao, Y.J.; Li, T.X.; Riffat, S.B.; Wajid, N.M.

2016-01-01

Novel EVM/SrBr_2 composite sorbents with different salt contents were developed for low-temperature thermal energy storage (TES). Simulative sorption experiment was conducted to obtain the sorption kinetics diagram and identify threshold salt content that composite sorbents can hold without solution leakage. Distribution of salt embedded in EVM was observed by extreme-resolution scanning electron microscopy (ER-SEM). Thermochemical characterizations including desorption performance and desorption heat were fully investigated by analyzing simultaneous thermal analyzer (STA) results. Results reveal that sorption process of composite sorbents is divided into three parts: water adsorption of EVM, water adsorption of SrBr_2 crystal and liquid-gas absorption of SrBr_2 solution. Since SrBr_2 solution can be hold in macrospores of EVM, water uptake and energy storage density are greatly increased. It appears that the composite sorbent of EVMSrBr_240 is a promising material for thermal energy storage, with water uptake of 0.53 g/g, mass energy storage density of 0.46 kWh/kg and volume energy storage density of 105.36 kWh/m"3. - Highlights: • Vermiculite/SrBr_2 composite sorbents were developed for thermal energy storage. • Water uptake of composite sorbents is divided into three phases. • Energy storage density of each sorption phase is evaluated via calculations. • EVMSrBr_240 is chosen as optimal sorbent without solution leakage.

Review and analysis of the 1980-1989 biomass thermochemical conversion program

Energy Technology Data Exchange (ETDEWEB)

Stevens, D.J.

1994-09-01

In the period between 1980 and 1989, the U.S. Department of Energy (DOE) sponsored research and development projects through its Biomass Thermochemical Conversion (BTC) Program. Thermochemical conversion technologies use elevated temperatures to convert biomass into more useful forms of energy such as fuel gases or transportation fuels. The BTC Program included a wide range of biomass conversion projects in the areas of gasification, pyrolysis, liquefaction, and combustion. This work formed the basis of the present DOE research and development efforts on advanced liquid fuel and power generation systems. At the beginning of Fiscal Year 1989, the management of the BTC Program was transferred from Pacific Northwest Laboratory (PNL) to National Renewable Energy Laboratory (NREL, formerly Solar Energy Research Institute). This document presents a summary of the research which was performed under the BTC Program during the 1981-1989 time frame. The document consists of an analysis of the research projects which were funded by the BTC Program and a bibliography of published documents. This work will help ensure that information from PNL`s BTC Program is available to those interested in biomass conversion technologies. The background of the BTC Program is discussed in the first chapter of this report. In addition, a brief summary of other related biomass research and development programs funded by the U.S. Department of Energy and others is presented with references where additional information can be found. The remaining chapters of the report present a detailed summary of the research projects which were funded by the BTC Program. The progress which was made on each project is summarized, the overall impact on biomass conversion is discussed, and selected references are provided.

Thermodynamic consideration on the constitution of multi-thermochemical water splitting process

International Nuclear Information System (INIS)

Tagawa, Hiroaki

1976-03-01

The multi-thermochemical water splitting cycle comprises individual chemical reactions which are generalized as hydrolysis, hydrogen generation, oxygen generation and regeneration of the circulating materials. The circulating agents are required for the constitution of the cycle, but the guiding principle of selecting them is not available yet. In the present report, thermodynamic properties, especially Gibbs free energies for formation, of the agents are examined as a function of temperature. Oxides, sulfo-oxides, chlorides, bromides and iodides are chosen as the compounds. The chemical reactions for hydrolysis, hydrogen generation and oxygen generation are reviewed in detail. The general formulas for the three step splitting cycle are represented with discussion. (auth.)

Calculation of superalloy phase diagrams. IV

International Nuclear Information System (INIS)

Kaufman, L.; Nesor, H.

1975-01-01

Explicit descriptions of the Fe--Mo, Fe--W, Fe--Nb, W--Cr and Ti--W binary systems have been developed in line with lattice stability, thermochemical and phase diagram data. These descriptions, along with similar results derived previously, have been employed to calculate isothermal sections in the Cr--Al--Fe, Fe--Mo--Cr, Fe--W--Cr, Ni--Al--Co, Nb--Ti--W, Ti--W--Mo, Cr--W--Mo, Ni--Mo--W, and Ni--W--Ti systems for comparison with experimental results. The effects of carbon impurities on miscibility gap formation in the Ti--W, Nb--Ti--W, Ti--W--Mo and Cr--W--Mo systems are discussed

Extension of a reactive distillation process design methodology: application to the hydrogen production through the Iodine-Sulfur thermochemical cycle; Generalisation d'une approche de conception de procedes de distillation reactive: application a la production d'hydrogene par le cycle thermochimique I-S

Energy Technology Data Exchange (ETDEWEB)

Belaissaoui, B

2006-02-15

Reactive distillation is a promising way to improve classical processes. This interest has been comforted by numerous successful applications involving reactive systems in liquid phase but never in vapour phase. In this context, general design tools have been developed for the analysis of reactive distillation processes whatever the reactive phase. A general model for open condensation and evaporation of vapour or liquid reactive systems in chemical equilibrium has been written and applied to extend the feasibility analysis, synthesis and design methods of the sequential design methodology of R. Thery (2002). The extended design methodology is applied to the industrial production of hydrogen through the iodine-sulphur thermochemical cycle by vapour phase reactive distillation. A column configuration is proposed with better performance formerly published configuration. (author)

Exergy analysis of a system using a chemical heat pump to link a supercritical water-cooled nuclear reactor and a thermochemical water splitting cycle

International Nuclear Information System (INIS)

Granovskii, M.; Dincer, I.; Rosen, M. A.; Pioro, I

2007-01-01

The power generation efficiency of nuclear plants is mainly determined by the permissible temperatures and pressures of the nuclear reactor fuel and coolants. These parameters are limited by materials properties and corrosion rates and their effect on nuclear reactor safety. The advanced materials for the next generation of CANDU reactors, which employ steam as a coolant and heat carrier, permit the increased steam parameters (outlet temperature up to 625 degree C and pressure of about 25 MPa). Supercritical water-cooled (SCW) nuclear power plants are expected to increase the power generation efficiency from 35 to 45%. Supercritical water-cooled nuclear reactors can be linked to thermochemical water splitting cycles for hydrogen production. An increased steam temperature from the nuclear reactor makes it also possible to utilize its energy in thermochemical water splitting cycles. These cycles are considered by many as one of the most efficient ways to produce hydrogen from water and to have advantages over traditional low-temperature water electrolysis. However, even lower temperature water splitting cycles (Cu-Cl, UT-3, etc.) require a heat supply at the temperatures over 550-600 degree C. A sufficient increase in the heat transfer from the nuclear reactor to a thermochemical water splitting cycle, without jeopardizing nuclear reactor safety, might be effectively achieved by application of a heat pump which increases the temperature the heat supplied by virtue of a cyclic process driven by mechanical or electrical work. A high temperature chemical heat pump which employs the reversible catalytic methane conversion reaction is proposed. The reaction shift from exothermic to endothermic and back is achieved by a change of the steam concentration in the reaction mixture. This heat pump, coupled with a SCW nuclear plant on one side and thermochemical water splitting cycle on the other, increases the temperature level of the 'nuclear' heat and, thus, the intensity of

Degradation of materials under conditions of thermochemical cycles for hydrogen production - part III

International Nuclear Information System (INIS)

Klimas, S.J.; Searle, H.; Guerout, F.

2011-01-01

A capsule method was employed to screen a number of materials for degradation under selected conditions of the sulphur-iodine (SI) and the copper-chlorine (Cu-Cl) thermochemical cycles. A summary of the results of an experimental investigation is given. The recommendations for the selection of the materials required for the construction of the electrolyser subsystem of the copper chlorine hybrid cycle are presented and discussed with the associated rationale. Some remaining uncertainties are illustrated on the basis of the experimental evidence gathered. (author)

Electromagnetic Systems Effects Database (EMSED). AERO 90, Phase II User's Manual

National Research Council Canada - National Science Library

Sawires, Kalim

1998-01-01

The Electromagnetic Systems Effects Database (EMSED), also called AIRBASE, is a training guide for users not familiar with the AIRBASE database and its operating platform, the Macintosh computer (Mac...

Numerical analysis of hydrogen production via methane steam reforming in porous media solar thermochemical reactor using concentrated solar irradiation as heat source

International Nuclear Information System (INIS)

Wang, Fuqiang; Tan, Jianyu; Shuai, Yong; Gong, Liang; Tan, Heping

2014-01-01

Highlights: • H 2 production by hybrid solar energy and methane steam reforming is analyzed. • MCRT and FVM coupling method is used for chemical reaction in solar porous reactor. • LTNE model is used to study the solid phase and fluid phase thermal performance. • Modified P1 approximation programmed by UDFs is used for irradiative heat transfer. - Abstract: The calorific value of syngas can be greatly upgraded during the methane steam reforming process by using concentrated solar energy as heat source. In this study, the Monte Carlo Ray Tracing (MCRT) and Finite Volume Method (FVM) coupling method is developed to investigate the hydrogen production performance via methane steam reforming in porous media solar thermochemical reactor which includes the mass, momentum, energy and irradiative transfer equations as well as chemical reaction kinetics. The local thermal non-equilibrium (LTNE) model is used to provide more temperature information. The modified P1 approximation is adopted for solving the irradiative heat transfer equation. The MCRT method is used to calculate the sunlight concentration and transmission problems. The fluid phase energy equation and transport equations are solved by Fluent software. The solid phase energy equation, irradiative transfer equation and chemical reaction kinetics are programmed by user defined functions (UDFs). The numerical results indicate that concentrated solar irradiation on the fluid entrance surface of solar chemical reactor is highly uneven, and temperature distribution has significant influence on hydrogen production

Pollution Prevention Successes Database (P2SDb) user guide

International Nuclear Information System (INIS)

1995-07-01

When Pollution Prevention Opportunity Assessments (P2OAs) were launched at the Hanford Site during the summer of 1994, the first comment received from those using them expressed the desire for a method to report assessments electronically. As a temporary measure, macros were developed for use on word processing systems, but a more formal database was obviously needed. Additionally, increased DOE and Washington state reporting requirements for pollution prevention suggested that a database system would streamline the reporting process. The Pollution Prevention Group of Westinghouse Hanford Company (WHC) contracted with the Data Automation Engineering Department from ICF Kaiser Hanford Company (ICFKH) to develop the system. The scope was to develop a database that will track P2OAs conducted by the facilities and contractors at the Hanford Site. It will also track pollution prevention accomplishments that are not the result of P2OAs and document a portion of the Process Waste Assessments conducted in the past. To accommodate the above criteria, yet complete the system in a timely manner, the Pollution Prevention Successes Database (P2SDb) is being implemented in three phases. The first phase will automate the worksheets to provide both input and output of the data associated with the worksheets. The second phase will automate standard summary reports and ad hoc reports. The third phase will provide automated searching of the database to facilitate the sharing of pollution prevention experiences among various users. This User's Guide addresses only the Phase 1 system

Thermal tests of a multi-tubular reactor for hydrogen production by using mixed ferrites thermochemical cycle

Science.gov (United States)

Gonzalez-Pardo, Aurelio; Denk, Thorsten; Vidal, Alfonso

2017-06-01

The SolH2 project is an INNPACTO initiative of the Spanish Ministry of Economy and Competitiveness, with the main goal to demonstrate the technological feasibility of solar thermochemical water splitting cycles as one of the most promising options to produce H2 from renewable sources in an emission-free way. A multi-tubular solar reactor was designed and build to evaluate a ferrite thermochemical cycle. At the end of this project, the ownership of this plant was transferred to CIEMAT. This paper reviews some additional tests with this pilot plant performed in the Plataforma Solar de Almería with the main goal to assess the thermal behavior of the reactor, evaluating the evolution of the temperatures inside the cavity and the relation between supplied power and reached temperatures. Previous experience with alumina tubes showed that they are very sensitive to temperature and flux gradients, what leads to elaborate an aiming strategy for the heliostat field to achieve a uniform distribution of the radiation inside the cavity. Additionally, the passing of clouds is a phenomenon that importantly affects all the CSP facilities by reducing their efficiency. The behavior of the reactor under these conditions has been studied.

Energy efficient thermochemical conversion of very wet biomass to biofuels by integration of steam drying, steam electrolysis and gasification

DEFF Research Database (Denmark)

Clausen, Lasse Røngaard

2017-01-01

A novel system concept is presented for the thermochemical conversion of very wet biomasses such as sewage sludge and manure. The system integrates steam drying, solid oxide electrolysis cells (SOEC) and gasification for the production of synthetic natural gas (SNG). The system is analyzed...

Synfuels from fusion: using the tandem mirror reactor and a thermochemical cycle to produce hydrogen

International Nuclear Information System (INIS)

Werner, R.W.

1982-01-01

This study is concerned with the following area: (1) the tandem mirror reactor and its physics; (2) energy balance; (3) the lithium oxide canister blanket system; (4) high-temperature blanket; (5) energy transport system-reactor to process; (6) thermochemical hydrogen processes; (7) interfacing the GA cycle; (8) matching power and temperature demands; (9) preliminary cost estimates; (10) synfuels beyond hydrogen; and (11) thermodynamics of the H 2 SO 4 -H 2 O system

Membranes for H2 generation from nuclear powered thermochemical cycles.

Energy Technology Data Exchange (ETDEWEB)

Nenoff, Tina Maria; Ambrosini, Andrea; Garino, Terry J.; Gelbard, Fred; Leung, Kevin; Navrotsky, Alexandra (University of California, Davis, CA); Iyer, Ratnasabapathy G. (University of California, Davis, CA); Axness, Marlene

2006-11-01

In an effort to produce hydrogen without the unwanted greenhouse gas byproducts, high-temperature thermochemical cycles driven by heat from solar energy or next-generation nuclear power plants are being explored. The process being developed is the thermochemical production of Hydrogen. The Sulfur-Iodide (SI) cycle was deemed to be one of the most promising cycles to explore. The first step of the SI cycle involves the decomposition of H{sub 2}SO{sub 4} into O{sub 2}, SO{sub 2}, and H{sub 2}O at temperatures around 850 C. In-situ removal of O{sub 2} from this reaction pushes the equilibrium towards dissociation, thus increasing the overall efficiency of the decomposition reaction. A membrane is required for this oxygen separation step that is capable of withstanding the high temperatures and corrosive conditions inherent in this process. Mixed ionic-electronic perovskites and perovskite-related structures are potential materials for oxygen separation membranes owing to their robustness, ability to form dense ceramics, capacity to stabilize oxygen nonstoichiometry, and mixed ionic/electronic conductivity. Two oxide families with promising results were studied: the double-substituted perovskite A{sub x}Sr{sub 1-x}Co{sub 1-y}B{sub y}O{sub 3-{delta}} (A=La, Y; B=Cr-Ni), in particular the family La{sub x}Sr{sub 1-x}Co{sub 1-y}Mn{sub y}O{sub 3-{delta}} (LSCM), and doped La{sub 2}Ni{sub 1-x}M{sub x}O{sub 4} (M = Cu, Zn). Materials and membranes were synthesized by solid state methods and characterized by X-ray and neutron diffraction, SEM, thermal analyses, calorimetry and conductivity. Furthermore, we were able to leverage our program with a DOE/NE sponsored H{sub 2}SO{sub 4} decomposition reactor study (at Sandia), in which our membranes were tested in the actual H{sub 2}SO{sub 4} decomposition step.

Holistic analysis of thermochemical processes by using solid biomass for fuel production in Germany; Ganzheitliche Analyse thermochemischer Verfahren bei der Nutzung fester Biomasse zur Kraftstoffproduktion in Deutschland

Energy Technology Data Exchange (ETDEWEB)

Henssler, Martin

2015-04-28

According to the German act ''Biokraftstoff-Nachhaltigkeitsverordnung'', biofuels must show a CO{sub 2eq}-reduction compared to the fossil reference fuel (83.8 g CO{sub 2eq}/MJ{sub fuel} /Richtlinie 98/70/EG/) of 35 % beginning with 2011. In new plants, which go into operation after the 31.12.2016 the CO{sub 2eq}-savings must be higher than 50 % in 2017 and higher than 60 % in 2018 /Biokraft-NachV/. The biofuels (methyl ester of rapeseed, bioethanol and biomethane) considered in this study do not meet these requirements for new plants. To comply with these rules new processes must be deployed. Alternative thermochemical generated fuels could be an option. The aim of this work is to evaluate through a technical, ecological and economic analysis (Well-to-Wheel) whether and under what conditions the thermochemical production of Fischer-Tropsch-diesel or -gasoline, hydrogen (H{sub 2}) and Substitute Natural Gas (SNG) complies with the targets. Four different processes are considered (fast pyrolysis and torrefaction with entrained flow gasifier, CHOREN Carbo-V {sup registered} -gasifier, Absorption Enhanced Reforming (AER-) gasifier). Beside residues such as winter wheat straw and residual forest wood, wood from short-rotation plantations is taken into account. The technical analysis showed that at present status (2010) two and in 2050 six plants can be operated energy-self-sufficient. The overall efficiency of the processes is in the range of 41.5 (Fischer-Tropsch-diesel or -gasoline) and 59.4 % (H{sub 2}). Furthermore, it was found that for 2010, all thermochemical produced fuels except the H{sub 2}-production from wood from short-rotation plantations in decentralised or central fast pyrolysis and in decentralised torrefactions with entrained flow gasifier keep the required CO{sub 2eq}-saving of 60 %. In 2050, all thermochemical produced fuels will reach these limits. The CO{sub 2eq}-saving is between 72 (H{sub 2}) and 95 % (Fischer

The plant phenological online database (PPODB): an online database for long-term phenological data

Science.gov (United States)

Dierenbach, Jonas; Badeck, Franz-W.; Schaber, Jörg

2013-09-01

We present an online database that provides unrestricted and free access to over 16 million plant phenological observations from over 8,000 stations in Central Europe between the years 1880 and 2009. Unique features are (1) a flexible and unrestricted access to a full-fledged database, allowing for a wide range of individual queries and data retrieval, (2) historical data for Germany before 1951 ranging back to 1880, and (3) more than 480 curated long-term time series covering more than 100 years for individual phenological phases and plants combined over Natural Regions in Germany. Time series for single stations or Natural Regions can be accessed through a user-friendly graphical geo-referenced interface. The joint databases made available with the plant phenological database PPODB render accessible an important data source for further analyses of long-term changes in phenology. The database can be accessed via www.ppodb.de .

Coupling of copper-chloride hybrid thermochemical water splitting cycle with a desalination plant for hydrogen production from nuclear energy

International Nuclear Information System (INIS)

Orhan, Mehmet F.; Dincer, Ibrahim; Naterer, Greg F.; Rosen, Marc A.

2010-01-01

Energy and environmental concerns have motivated research on clean energy resources. Nuclear energy has the potential to provide a significant share of energy supply without contributing to environmental emissions and climate change. Nuclear energy has been used mainly for electric power generation, but hydrogen production via thermochemical water decomposition provides another pathway for the utilization of nuclear thermal energy. One option for nuclear-based hydrogen production via thermochemical water decomposition uses a copper-chloride (Cu-Cl) cycle. Another societal concern relates to supplies of fresh water. Thus, to avoid causing one problem while solving another, hydrogen could be produced from seawater rather than limited fresh water sources. In this study we analyze a coupling of the Cu-Cl cycle with a desalination plant for hydrogen production from nuclear energy and seawater. Desalination technologies are reviewed comprehensively to determine the most appropriate option for the Cu-Cl cycle and a thermodynamic analysis and several parametric studies of this coupled system are presented for various configurations. (author)

Biomass thermochemical conversion - overview of results; Biomassan jalostus - tutkimusalueen katsaus

Energy Technology Data Exchange (ETDEWEB)

Sipilae, K. [VTT Energy, Espoo (Finland). Energy Production Technologies

1995-12-31

In this Bioenergy research program the thermochemical conversion activities are mainly concentrated in three fields (1) flash pyrolysis and the use of wood oil in boilers and engines (2) biomass gasification for gas engine power plants and finally (3) conversion of black liquor and extractives in a pulp mill to various liquid fuels. Parallel to activities in Finland also significant work has been done in EU-Joule and Apas projects and in the IEA Bioenergy Agreement. In the area of flash pyrolysis technology, three new laboratory and PDU-units have been installed to VTT in order to produce various qualities of bio oils from wood and straw. The quality of pyrolysis oils have been characterized by physical and chemical methods supported by EU and IEA networks. Several companies are carrying out pyrolysis activities as well: Neste Oy is testing the wood oil in a 200 kW boiler, Waertsilae Diesel Oy is testing Canadian wood oil in a 1.5 MWe diesel power plant engine and Vapo Oy is carrying out investigations to produce pyrolysis oils in Finland. The biomass gasification coupled to a gas engine is an interesting alternative for small scale power production parallel to existing fluid bed boiler technology. VTT has installed a circulating fluid bed gasifier with advanced gas cleaning system to test various technologies in order to feed the gas to an engine. In order to produce liquid fuels at a pulp mill, the laboratory work has continued using crude soap as a raw material for high pressure liquid phase treatment and atmospheric pyrolysis process. The quality of the oil is like light fuel oil or diesel fuel, possibilities to use it as a lubricant will be investigated

Biomass thermochemical conversion - overview of results; Biomassan jalostus - tutkimusalueen katsaus

Energy Technology Data Exchange (ETDEWEB)

Sipilae, K [VTT Energy, Espoo (Finland). Energy Production Technologies

1996-12-31

In this Bioenergy research program the thermochemical conversion activities are mainly concentrated in three fields (1) flash pyrolysis and the use of wood oil in boilers and engines (2) biomass gasification for gas engine power plants and finally (3) conversion of black liquor and extractives in a pulp mill to various liquid fuels. Parallel to activities in Finland also significant work has been done in EU-Joule and Apas projects and in the IEA Bioenergy Agreement. In the area of flash pyrolysis technology, three new laboratory and PDU-units have been installed to VTT in order to produce various qualities of bio oils from wood and straw. The quality of pyrolysis oils have been characterized by physical and chemical methods supported by EU and IEA networks. Several companies are carrying out pyrolysis activities as well: Neste Oy is testing the wood oil in a 200 kW boiler, Waertsilae Diesel Oy is testing Canadian wood oil in a 1.5 MWe diesel power plant engine and Vapo Oy is carrying out investigations to produce pyrolysis oils in Finland. The biomass gasification coupled to a gas engine is an interesting alternative for small scale power production parallel to existing fluid bed boiler technology. VTT has installed a circulating fluid bed gasifier with advanced gas cleaning system to test various technologies in order to feed the gas to an engine. In order to produce liquid fuels at a pulp mill, the laboratory work has continued using crude soap as a raw material for high pressure liquid phase treatment and atmospheric pyrolysis process. The quality of the oil is like light fuel oil or diesel fuel, possibilities to use it as a lubricant will be investigated

Thermochemical heat storage for high temperature applications. A review

Energy Technology Data Exchange (ETDEWEB)

Felderhoff, Michael [Max-Planck-Institut fuer Kohlenforschung, Muelheim an der Ruhr (Germany); Urbanczyk, Robert; Peil, Stefan [Institut fuer Energie- und Umwelttechnik e.V. (IUTA), Duisburg (Germany)

2013-07-01

Heat storage for high temperature applications can be performed by several heat storage techniques. Very promising heat storage methods are based on thermochemical gas solid reactions. Most known systems are metal oxide/steam (metal hydroxides), carbon dioxide (metal carbonates), and metal/hydrogen (metal hydrides) systems. These heat storage materials posses high gravimetric and volumetric heat storage densities and because of separation of the reaction products and their storage in different locations heat losses can be avoided. The reported volumetric heat storage densities are 615, 1340 and 1513 [ kWh m{sup -3}] for calcium hydroxide Ca(OH){sub 2}, calcium carbonate CaCO{sub 3} and magnesium iron hydride Mg{sub 2}FeH{sub 6} respectively. Additional demands for gas storage decrease the heat storage density, but metal hydride systems can use available hydrogen storage possibilities for example caverns, pipelines and chemical plants. (orig.)

Hydrogen production from biomass by thermochemical recuperative energy conversion

Energy Technology Data Exchange (ETDEWEB)

Fushimi, C.; Araki, K.; Yamaguchi, Y.; Tsutsumi, A. [Tokyo Univ. (Japan). Dept. of Chemical System Engineering

2002-07-01

The authors conducted, using a thermogravimetric reactor, a kinetic study of production of thermochemical recuperative hydrogen from biomass. The four different biomass materials used were: cellulose, lignin, metroxylon stem, and coconut husk. Under both rapid heating and slow heating conditions, the weight changes of the biomass samples during the steam gasification or pyrolysis were measured at 973 Kelvin. Simultaneously, measurements of the evolution rates of low-molecular-weight gas products such as hydrogen, methane, carbon monoxide, and carbon dioxide were taken with the help of a mass spectrometer and a micro gas chromatograph (GC). The steam gasification of char significantly increased the amount of hydrogen and carbon dioxide production. The results also indicated that at higher heating rate, the cold gas efficiency of steam gasification was increased. This can be explained by the suppression of the tar production at lower temperature. 25 refs., 2 tabs., 10 figs.

Generation of H{sub 2} and CO by solar thermochemical splitting of H{sub 2}O and CO{sub 2} by employing metal oxides

Energy Technology Data Exchange (ETDEWEB)

Rao, C.N.R., E-mail: cnrrao@jncasr.ac.in; Dey, Sunita

2016-10-15

Generation of H{sub 2} and CO by splitting H{sub 2}O and CO{sub 2} respectively constitutes an important aspect of the present-day concerns with energy and environment. The solar thermochemical route making use of metal oxides is a viable means of accomplishing these reduction reactions. The method essentially involves reducing a metal oxide by heating and passing H{sub 2}O or CO{sub 2} over the nonstoichiometric oxide to cause reverse oxidation by abstracting oxygen from H{sub 2}O or CO{sub 2}. While ceria, perovskites and other oxides have been investigated for this purpose, recent studies have demonstrated the superior performance of perovskites of the type Ln{sub 1−x}A{sub x}Mn{sub 1−y}M{sub y}O{sub 3} (Ln=rare earth, A=alkaline earth, M=various +2 and +3 metal ions), in the thermochemical generation of H{sub 2} and CO. We present the important results obtained hitherto to point out how the alkaine earth and the Ln ions, specially the radius of the latter, determine the performance of the perovskites. The encouraging results obtained are exemplefied by Y{sub 0.5}Sr{sub 0.5}MnO{sub 3} which releases 483 µmol/g of O{sub 2} at 1673 K and produces 757 µmol/g of CO from CO{sub 2} at 1173 K. The production of H{sub 2} from H{sub 2}O is also quite appreciable. Modification of the B site ion of the perovskite also affects the performance. In addition to perovskites, we present the generation of H{sub 2} based on the Mn{sub 3}O{sub 4}/NaMnO{sub 2} cycle briefly. - Graphical abstract: Ln{sub 0.5}A{sub 0.5}Mn{sub 1−x}M{sub x}O{sub 3} (Ln=lanthanide; A=Ca, Sr; M=Al, Ga, Sc, Mg, Cr, Fe, Co) perovskites are employed for the two step thermochemical splitting of CO{sub 2} and H{sub 2}O for the generation of CO and H{sub 2}. - Highlights: • Perovskite oxides based on Mn are ideal for the two-step thermochemical splitting of CO{sub 2} and H{sub 2}O. • In Ln{sub 1−x}A{sub x}MnO{sub 3} perovskite (Ln=rare earth, A=alkaline earth) both Ln and A ions play major roles

Thermodynamic and volumetric databases and software for magnesium alloys

Science.gov (United States)

Kang, Youn-Bae; Aliravci, Celil; Spencer, Philip J.; Eriksson, Gunnar; Fuerst, Carlton D.; Chartrand, Patrice; Pelton, Arthur D.

2009-05-01

Extensive databases for the thermodynamic and volumetric properties of magnesium alloys have been prepared by critical evaluation, modeling, and optimization of available data. Software has been developed to access the databases to calculate equilibrium phase diagrams, heat effects, etc., and to follow the course of equilibrium or Scheil-Gulliver cooling, calculating not only the amounts of the individual phases, but also of the microstructural constituents.

Studies on the phase diagram of Pb-Mo-O system

International Nuclear Information System (INIS)

Aiswarya, P.M.; Ganesan, Rajesh; Gnanasekaran, T.

2014-01-01

Liquid lead and Lead-Bismuth Eutectic (LBE) alloy are considered as spallation target and coolant in the accelerator driven systems and as candidate coolant in advanced nuclear reactors. Corrosion of the structural steel components in these liquid metal coolants can be minimized by the insitu formation of passive oxide layer on the steel surface under controlled oxygen concentration. A detailed knowledge of phase diagrams of Pb-M-O and Bi-M-O (M = Fe, Cr, Mo) systems and data on thermochemical properties of the ternary compounds of these systems are required for better understanding of composition and stability of these passive oxide films. In the present work, studies have been carried out to establish the ternary phase diagram of Pb-Mo-O system

Computer-assisted evaluation of the thermochemical data of the compounds of thorium

International Nuclear Information System (INIS)

Wagman, D.D.; Schumm, R.H.; Parker, V.B.

1977-08-01

Selected values are given for the thermochemical properties of the compounds of thorium. They are obtained from a computer-assisted least sums-least squares approach to the evaluation of thermodynamic data networks. The properties given, where data are available, are enthalpy of formation, Gibbs energy of formation, and entropy at 298.15 K (Δ Hf (298), Δ Gf (298), and S (298)). The values are consistent with the CODATA Key Values for Thermodynamics. The reaction catalog from which this self consistent set of values is generated is given with a statistical analysis. Some thermal functions are also given, as well as detailed comments when necessary

Thermochemical Biomass Gasification: A Review of the Current Status of the Technology

Directory of Open Access Journals (Sweden)

Ajay Kumar

2009-07-01

Full Text Available A review was conducted on the use of thermochemical biomass gasification for producing biofuels, biopower and chemicals. The upstream processes for gasification are similar to other biomass processing methods. However, challenges remain in the gasification and downstream processing for viable commercial applications. The challenges with gasification are to understand the effects of operating conditions on gasification reactions for reliably predicting and optimizing the product compositions, and for obtaining maximal efficiencies. Product gases can be converted to biofuels and chemicals such as Fischer-Tropsch fuels, green gasoline, hydrogen, dimethyl ether, ethanol, methanol, and higher alcohols. Processes and challenges for these conversions are also summarized.

Evolution of the Configuration Database Design

International Nuclear Information System (INIS)

Salnikov, A.

2006-01-01

The BABAR experiment at SLAC successfully collects physics data since 1999. One of the major parts of its on-line system is the configuration database which provides other parts of the system with the configuration data necessary for data taking. Originally the configuration database was implemented in the Objectivity/DB ODBMS. Recently BABAR performed a successful migration of its event store from Objectivity/DB to ROOT and this prompted a complete phase-out of the Objectivity/DB in all other BABAR databases. It required the complete redesign of the configuration database to hide any implementation details and to support multiple storage technologies. In this paper we describe the process of the migration of the configuration database, its new design, implementation strategy and details

Applications of thermodynamic calculations to Mg alloy design: Mg-Sn based alloy development

International Nuclear Information System (INIS)

Jung, In-Ho; Park, Woo-Jin; Ahn, Sang Ho; Kang, Dae Hoon; Kim, Nack J.

2007-01-01

Recently an Mg-Sn based alloy system has been investigated actively in order to develop new magnesium alloys which have a stable structure and good mechanical properties at high temperatures. Thermodynamic modeling of the Mg-Al-Mn-Sb-Si-Sn-Zn system was performed based on available thermodynamic, phase equilibria and phase diagram data. Using the optimized database, the phase relationships of the Mg-Sn-Al-Zn alloys with additions of Si and Sb were calculated and compared with their experimental microstructures. It is shown that the calculated results are in good agreement with experimental microstructures, which proves the applicability of thermodynamic calculations for new Mg alloy design. All calculations were performed using FactSage thermochemical software. (orig.)

ARTI refrigerant database

Energy Technology Data Exchange (ETDEWEB)

Calm, J.M.

1998-03-15

The Refrigerant Database is an information system on alternative refrigerants, associated lubricants, and their use in air conditioning and refrigeration. It consolidates and facilitates access to thermophysical properties, compatibility, environmental, safety, application and other information. It provides corresponding information on older refrigerants, to assist manufacturers and those using alternative refrigerants, to make comparisons and determine differences. The underlying purpose is to accelerate phase out of chemical compounds of environmental concern. The database provides bibliographic citations and abstracts for publications that may be useful in research and design of air conditioning and refrigeration equipment. It also references documents addressing compatibility of refrigerants and lubricants with other materials.

Methods for estimating the enthalpy of formation of inorganic compounds; thermochemical and crystallographic investigations of uranyl salts of group VI elements

International Nuclear Information System (INIS)

Brandenburg, N.P.

1978-01-01

The first part of this thesis is concerned with parameter methods for estimating the standard enthalpy of formation, ΔH 0 sub(f), of inorganic compounds. In this type of method the estimate is a function of parameters, assigned to cation and anion, respectively. The usefulness of a new estimation method is illustrated in the case of uranyl sulphide. In the second part of this thesis crystallographic and thermochemical properties of uranyl salts of group VI elements are described. Crystal structures are given for β-UO 2 SO 4 , UO 2 SeO 3 , and α-UO 2 SeO 4 . Thermochemical measurements have been restricted to the determination of ΔH 0 sub(f)(UO 2 SO 3 ) and ΔH 0 sub(f)(UO 2 TeO 3 ) by means of isoperibol solution calorimetry. (Auth.)

Synfuels from fusion: using the tandem mirror reactor and a thermochemical cycle to produce hydrogen

Energy Technology Data Exchange (ETDEWEB)

Werner, R.W. (ed.)

1982-11-01

This study is concerned with the following area: (1) the tandem mirror reactor and its physics; (2) energy balance; (3) the lithium oxide canister blanket system; (4) high-temperature blanket; (5) energy transport system-reactor to process; (6) thermochemical hydrogen processes; (7) interfacing the GA cycle; (8) matching power and temperature demands; (9) preliminary cost estimates; (10) synfuels beyond hydrogen; and (11) thermodynamics of the H/sub 2/SO/sub 4/-H/sub 2/O system. (MOW)

Ceramic carbon electrode-based anodes for use in the copper-chlorine thermochemical cycle

Energy Technology Data Exchange (ETDEWEB)

Ranganathan, S.; Easton, E.B. [Univ. of Ontario Inst. of Technology, Oshawa, ON (Canada). Faculty of Science

2009-07-01

A thermochemical cycle is a process by which water is decomposed into hydrogen and oxygen through a series of chemical reactions. The chemicals that are used in these reactions are regenerated and recycled during the process. Sol-gel chemistry is becoming more common for the synthesis of electrode materials. The sol-gel reaction can be conducted in the presence of a carbon black to form a ceramic carbon electrode (CCE). The resultant CCE structure contains electronically conductive carbon particle pathways that are bound together through the ceramic binder, which can also promote ion transport. The CCE structure also has a high active surface area and is chemically and thermally robust. This paper presented an investigation of CCE materials prepared using 3-aminopropyl trimethoxysilane. Several electrochemical experiments including cyclic voltammetry and electrochemical impedance spectroscopy were performed to characterize their suitability as anode electrode materials for use in the electrochemical step of the copper-chlorine thermochemical cycle. Subsequent experiments included the manipulation of the relative ratio of organosilane carbon precursors to gauge its impact on electrode properties and performance. An overview of the materials characterization and electrochemical measurements were also presented. Specifically, the paper presented the experiment with particular reference to the CCE preparation; electrochemical experiments; thermal analysis; and scanning electron microscopy. Results were also provided. These included TGA analysis; scanning electron microscopy analysis; electrochemical characterization; and anodic polarization. Characterization of these CCE material demonstrated that they had good thermal stability, could be used at high temperatures, and were therefore, very promising anode materials. 15 refs., 7 figs.

Thermochemical storage for CSP via redox structured reactors/heat exchangers: The RESTRUCTURE project

Science.gov (United States)

Karagiannakis, George; Pagkoura, Chrysoula; Konstandopoulos, Athanasios G.; Tescari, Stefania; Singh, Abhishek; Roeb, Martin; Lange, Matthias; Marcher, Johnny; Jové, Aleix; Prieto, Cristina; Rattenbury, Michael; Chasiotis, Andreas

2017-06-01

The present work provides an overview of activities performed in the framework of the EU-funded collaborative project RESTRUCTURE, the main goal of which was to develop and validate a compact structured reactor/heat exchanger for thermochemical storage driven by 2-step high temperature redox metal oxide cycles. The starting point of development path included redox materials qualification via both theoretical and lab-scale experimental studies. Most favorable compositions were cobalt oxide/alumina composites. Preparation of small-scale structured bodies included various approaches, ranging from perforated pellets to more sophisticated honeycomb geometries, fabricated by extrusion and coating. Proof-of-concept of the proposed novel reactor/heat exchanger was successfully validated in small-scale structures and the next step included scaling up of redox honeycombs production. Significant challenges were identified for the case of extruded full-size bodies and the final qualified approach related to preparation of cordierite substrates coated with cobalt oxide. The successful experimental evaluation of the pilot reactor/heat exchanger system constructed motivated the preliminary techno-economic evaluation of the proposed novel thermochemical energy storage concept. Taking into account experimental results, available technologies and standard design aspects a model for a 70.5 MWe CSP plant was defined. Estimated LCOE costs were calculated to be in the range of reference values for Combined Cycle Power Plants operated by natural gas. One of main cost contributors was the storage system itself, partially due to relatively high cost of cobalt oxide. This highlighted the need to identify less costly and equally efficient to cobalt oxide redox materials.

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.

Thermochemical hydrogen generation of indium oxide thin films

Directory of Open Access Journals (Sweden)

Taekyung Lim

2017-03-01

Full Text Available Development of alternative energy resources is an urgent requirement to alleviate current energy constraints. As such, hydrogen gas is gaining attention as a future alternative energy source to address existing issues related to limited energy resources and air pollution. In this study, hydrogen generation by a thermochemical water-splitting process using two types of In2O3 thin films was investigated. The two In2O3 thin films prepared by chemical vapor deposition (CVD and sputtering deposition systems contained different numbers of oxygen vacancies, which were directly related to hydrogen generation. The as-grown In2O3 thin film prepared by CVD generated a large amount of hydrogen because of its abundant oxygen vacancies, while that prepared by sputtering had few oxygen vacancies, resulting in low hydrogen generation. Increasing the temperature of the In2O3 thin film in the reaction chamber caused an increase in hydrogen generation. The oxygen-vacancy-rich In2O3 thin film is expected to provide a highly effective production of hydrogen as a sustainable and efficient energy source.

Database Independent Migration of Objects into an Object-Relational Database

CERN Document Server

Ali, A; Munir, K; Waseem-Hassan, M; Willers, I

2002-01-01

CERN's (European Organization for Nuclear Research) WISDOM project [1] deals with the replication of data between homogeneous sources in a Wide Area Network (WAN) using the extensible Markup Language (XML). The last phase of the WISDOM (Wide-area, database Independent Serialization of Distributed Objects for data Migration) project [2], indicates the future directions for this work to be to incorporate heterogeneous sources as compared to homogeneous sources as described by [3]. This work will become essential for the CERN community once the need to transfer their legacy data to some other source, other then Objectivity [4], arises. Oracle 9i - an Object-Relational Database (including support for abstract data types, ADTs) appears to be a potential candidate for the physics event store in the CERN CMS experiment as suggested by [4] & [5]. Consequently this database has been selected for study. As a result of this work the HEP community will get a tool for migrating their data from Objectivity to Oracle9i.

Thermochemical Sulfate Reduction Simulation Experiments on the Formation and Distribution of Organic Sulfur Compounds in the Tuha Crude Oil

Energy Technology Data Exchange (ETDEWEB)

Yue, Changtao; Li, Shuyuan [China Univ. of Petroleum, Beijing (China); Song, He [Research Institute of Petroleum Engineering of CNPC, Tianjin (China)

2014-07-15

Thermochemical sulfate reduction (TSR) was conducted in autoclave on the system of crude oil and MgSO{sub 4} at different temperatures. Gas chromatography pulsed flame photometric detector (GC-PFPD) was used to detected the composition of organic sulfur compounds in oil phase products. The results of the analysis indicate that with increased temperature, the contents of organic sulfur compounds with high molecular weight and thermal stability, such as benzothiophenes and dibenzothiophenes, gradually became dominated. In order to gain greater insight into the formation and distribution of organic sulphur compounds from TSR, positive ion electrospray Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) was used in detecting the detailed elemental composition and distribution of them. The mass spectra showed that the mass range of sulfur compounds was 200-550 Da. Four sulfur class species, S{sub 1}, N{sub 1}S{sub 1}, O{sub 1}S{sub 1} and O{sub 2}S{sub 1}, were assigned in the positive-ion spectrum. Among the identified sulfur compounds, the S{sub 1} class species was dominant. The most abundant S{sub 1} class species increase associated with the DBE value and carbon number increasing which also indicates the evolution of organic sulfur compounds in TSR is from the labile series to the stable one. In pure blank pyrolysis experiments with crude oil cracking without TSR, different composition and distribution of organic sulfur compounds in oil phase products were seen from mass spectra in order to evaluate their pyrolysis behaviors without MgSO{sub 4}. FT-IR and XRD were used in analyzing the products of solid phases. Two distinct crystallographic phases MgO and MgSO{sub 4} are found to coexist in the products which demonstrated the transformation of inorganic sulfur compounds into organosulfur compounds exist in TSR.

Experimental investigation of molten salt droplet quenching and solidification processes of heat recovery in thermochemical hydrogen production

International Nuclear Information System (INIS)

Ghandehariun, S.; Wang, Z.; Naterer, G.F.; Rosen, M.A.

2015-01-01

Highlights: • Thermal efficiency of a thermochemical cycle of hydrogen production is improved. • Direct contact heat recovery from molten salt is analyzed. • Falling droplets quenched into water are investigated experimentally. - Abstract: This paper investigates the heat transfer and X-ray diffraction patterns of solidified molten salt droplets in heat recovery processes of a thermochemical Cu–Cl cycle of hydrogen production. It is essential to recover the heat of the molten salt to enhance the overall thermal efficiency of the copper–chlorine cycle. A major portion of heat recovery within the cycle can be achieved by cooling and solidifying the molten salt exiting an oxygen reactor. Heat recovery from the molten salt is achieved by dispersing the molten stream into droplets. In this paper, an analytical study and experimental investigation of the thermal phenomena of a falling droplet quenched into water is presented, involving the droplet surface temperature during descent and resulting composition change in the quench process. The results show that it is feasible to quench the molten salt droplets for an efficient heat recovery process without introducing any material imbalance for the overall cycle integration.

Positron bound states on hydride ions in thermochemically reduced MgO single crystals

International Nuclear Information System (INIS)

Monge, M.A.; Pareja, R.; Gonzalez, R.; Chen, Y.

1996-01-01

Positron-lifetime and Doppler-broadening techniques were used to unambiguously identify positronium hydrides in thermochemically reduced MgO crystals at low temperatures. Positrons trapped at H - ions, forming PsH, yield a lifetime of (640±40) ps, independent of temperature. Complementary evidence for this identification was provided by Doppler-broadening experiments, in which positrons were trapped at H 2- sites at low temperatures. The H 2- ions were formed via H - +e - →H 2- by the capturing of an electron released from Fe + impurity under blue-light stimulation. copyright 1996 The American Physical Society

Energetic optimization of a solar thermochemical energy storage system subject to real constraints

Energy Technology Data Exchange (ETDEWEB)

Lovegrove, K [Australian National Univ., Canberra (Australia). Energy Research Centre

1993-12-01

An approach to the optimization of a solar energy conversion system which involves treating the system as a series of subsystems, each having a single cost determining variable, is proposed. The application to an ammonia-based thermochemical system with direct work output is discussed and possible subsystems are identified. The subsystem consisting of the exothermic reactor has been studied in detail. For this subsystem, the ratio of available catalyst volume to thermal power level is held constant whilst the exergetic efficiency is maximized. Results are presented from a determination of optimized reaction paths using dynamic programming techniques. (author)

Directly relating gas-phase cluster measurements to solution-phase hydrolysis, the absolute standard hydrogen electrode potential, and the absolute proton solvation energy.

Science.gov (United States)

Donald, William A; Leib, Ryan D; O'Brien, Jeremy T; Williams, Evan R

2009-06-08

Solution-phase, half-cell potentials are measured relative to other half-cell potentials, resulting in a thermochemical ladder that is anchored to the standard hydrogen electrode (SHE), which is assigned an arbitrary value of 0 V. A new method for measuring the absolute SHE potential is demonstrated in which gaseous nanodrops containing divalent alkaline-earth or transition-metal ions are reduced by thermally generated electrons. Energies for the reactions 1) M(H(2)O)(24)(2+)(g) + e(-)(g)-->M(H(2)O)(24)(+)(g) and 2) M(H(2)O)(24)(2+)(g) + e(-)(g)-->MOH(H(2)O)(23)(+)(g) + H(g) and the hydrogen atom affinities of MOH(H(2)O)(23)(+)(g) are obtained from the number of water molecules lost through each pathway. From these measurements on clusters containing nine different metal ions and known thermochemical values that include solution hydrolysis energies, an average absolute SHE potential of +4.29 V vs. e(-)(g) (standard deviation of 0.02 V) and a real proton solvation free energy of -265 kcal mol(-1) are obtained. With this method, the absolute SHE potential can be obtained from a one-electron reduction of nanodrops containing divalent ions that are not observed to undergo one-electron reduction in aqueous solution.

Environmental requirements in thermochemical and biochemical conversion of biomass

International Nuclear Information System (INIS)

Frings, R.M.; Mackie, K.L.; Hunter, I.R.

1992-01-01

Many biological and thermochemical processing options exist for the conversion of biomass to fuels. Commercially, these options are assessed in terms of fuel product yield and quality. However, attention must also be paid to the environmental aspects of each technology so that any commercial plant can meet the increasingly stringent environmental legislation in the world today. The environmental aspects of biological conversion (biogasification and bioliquefaction) and thermal conversion (high pressure liquefaction, flash pyrolysis, and gasification) are reviewed. Biological conversion processes are likely to generate waste streams which are more treatable than those from thermal conversion processes but the available data for thermal liquefaction are very limited. Close attention to waste minimisation is recommended and processing options that greatly reduce or eliminate waste streams have been identified. Product upgrading and its effect on wastewater quality also requires attention. Emphasis in further research studies needs to be placed on providing authentic waste streams for environmental assessment. (author)

Characteristics of thermochemical treated EN10090 X50 steel

International Nuclear Information System (INIS)

Schmitz, S.; Graf, K.; Scheid, A.; Moreno, A.

2014-01-01

EN10090 X50 steel is commonly used for engine valves to withstand severe operation conditions involving high temperature and corrosion from fuel and combustion gas. Usually, to enhance wear performance, valves undergo nitriding thermochemical treatment by salt baths. The aim of this work is to produce diffusion layers at least 20μm thick with hardness higher than 700HV by plasma surface treatment with no continuous compounds layer using nitrogen and methane based atmospheres. Samples were characterized by laser Confocal and scanning electron microscopy, X-ray diffraction and Vickers hardness. Salt bath treatment induced formation of undesirable compounds layer at the surface and a diffusion layer thicker than 40μm, with hardness arising 1280HV_0_,_0_1_0. Plasma surface treatment produced diffusion layer thicker than 40μm with no continuous compounds layer and mean hardness varying from 750 to 960HV_0_,_0_1_0. (author)

R and D thermochemical I-S process at JAERI

International Nuclear Information System (INIS)

Onuki, K.; Kubo, S.; Nakajima, H.; Higashi, S.; Kasahara, S.; Ishiyama, S.; Okuda, H.

2004-01-01

The Japan Atomic Energy Research Institute (JAERI) has conducted a study on the thermochemical water-splitting process of the iodine-sulfur family (IS process). In the IS process, water will react with iodine and sulfur dioxide to produce hydrogen iodide and sulfuric acid, which are then decomposed thermally to produce hydrogen and oxygen. High temperature nuclear heat, mainly supplied by a High Temperature Gas-cooled Reactor (HTGR), is used to drive the endothermic decomposition of sulfuric acid. JAERI has demonstrated the feasibility of the water-splitting hydrogen production process by carrying out laboratory-scale experiments in which combined operation of fundamental reactions and separations using the IS process was performed continuously. At present, the hydrogen production test is continuing, using a scaled-up glass apparatus. Corrosion-resistant materials for constructing a large-scale plant and process improvements by introducing advanced separation techniques, such as membrane separation, are under study. Future R and D items are discussed based on the present activities. (author)

The uranium-carbon and plutonium-carbon systems. A thermochemical assessment

International Nuclear Information System (INIS)

1963-01-01

A fair amount of thermochemical data has been accumulated on the compounds in the uranium-carbon system. The main difficulties involved appear to be the sluggishness of the reaction of these carbides and the lack of information on the true equilibrium diagram. The information assessed in this report is accurate to, say ± 5 kcal on the average. This is in fact satisfactory for quite a number of calculations of equilibria involving uranium and carbon. It is not accurate enough for more ambitious calculations such as that of the equilibrium diagram. Present assessment has also made clear the gaps that still exist. It appears that it is mainly the non-stoichiometric parts of the diagram that need extensive further studies; this would also assist in increasing the accuracy of the known data. 66 refs, 6 figs, 15 tabs

The PEP-II project-wide database

International Nuclear Information System (INIS)

Chan, A.; Calish, S.; Crane, G.; MacGregor, I.; Meyer, S.; Wong, J.

1995-05-01

The PEP-II Project Database is a tool for monitoring the technical and documentation aspects of this accelerator construction. It holds the PEP-II design specifications, fabrication and installation data in one integrated system. Key pieces of the database include the machine parameter list, magnet and vacuum fabrication data. CAD drawings, publications and documentation, survey and alignment data and property control. The database can be extended to contain information required for the operations phase of the accelerator and detector. Features such as viewing CAD drawing graphics from the database will be implemented in the future. This central Oracle database on a UNIX server is built using ORACLE Case tools. Users at the three collaborating laboratories (SLAC, LBL, LLNL) can access the data remotely, using various desktop computer platforms and graphical interfaces

Potential for thermochemical conversion of biomass residues from the integrated sugar-ethanol process - Fate of ash and ash-forming elements.

Science.gov (United States)

Dirbeba, Meheretu Jaleta; Brink, Anders; DeMartini, Nikolai; Zevenhoven, Maria; Hupa, Mikko

2017-06-01

In this work, potential for thermochemical conversion of biomass residues from an integrated sugar-ethanol process and the fate of ash and ash-forming elements in the process are presented. Ash, ash-forming elements, and energy flows in the process were determined using mass balances and analyses of eight different biomass samples for ash contents, elemental compositions, and heating values. The results show that the ash content increases from the sugarcane to the final residue, vinasse. The cane straw, which is left in the field, contains one-third of the energy and 25% of the K and Cl while the vinasse contains 2% of the energy and 40% of the K and Cl in the cane. K and Cl in biomass fuels cause corrosion and fouling problems in boilers and gasifiers. Over 85% of these elements in the straw are water soluble indicating that water leaching would improve it for utilization in thermochemical conversion. Copyright © 2017 Elsevier Ltd. All rights reserved.

Survey and Down-Selection of Acid Gas Removal Systems for the Thermochemical Conversion of Biomass to Ethanol with a Detailed Analysis of an MDEA System

Energy Technology Data Exchange (ETDEWEB)

Nexant, Inc., San Francisco, California

2011-05-01

The first section (Task 1) of this report by Nexant includes a survey and screening of various acid gas removal processes in order to evaluate their capability to meet the specific design requirements for thermochemical ethanol synthesis in NREL's thermochemical ethanol design report (Phillips et al. 2007, NREL/TP-510-41168). MDEA and selexol were short-listed as the most promising acid-gas removal agents based on work described in Task 1. The second report section (Task 2) describes a detailed design of an MDEA (methyl diethanol amine) based acid gas removal system for removing CO2 and H2S from biomass-derived syngas. Only MDEA was chosen for detailed study because of the available resources.

Fuels production by the thermochemical transformation of the biomass; La production de carburants par transformation thermochimique de la biomasse

Energy Technology Data Exchange (ETDEWEB)

Claudet, G. [CEA, 75 - Paris (France)

2005-07-01

The biomass is a local and renewable energy source, presenting many advantages. This paper proposes to examine the biomass potential in France, the energy valorization channels (thermochemical chains of thermolysis and gasification) with a special interest for the hydrogen production and the research programs oriented towards the agriculture and the forest. (A.L.B.)

Solar Thermochemical Energy Storage Through Carbonation Cycles of SrCO3/SrO Supported on SrZrO3.

Science.gov (United States)

Rhodes, Nathan R; Barde, Amey; Randhir, Kelvin; Li, Like; Hahn, David W; Mei, Renwei; Klausner, James F; AuYeung, Nick

2015-11-01

Solar thermochemical energy storage has enormous potential for enabling cost-effective concentrated solar power (CSP). A thermochemical storage system based on a SrO/SrCO3 carbonation cycle offers the ability to store and release high temperature (≈1200 °C) heat. The energy density of SrCO3/SrO systems supported by zirconia-based sintering inhibitors was investigated for 15 cycles of exothermic carbonation at 1150 °C followed by decomposition at 1235 °C. A sample with 40 wt % of SrO supported by yttria-stabilized zirconia (YSZ) shows good energy storage stability at 1450 MJ m(-3) over fifteen cycles at the same cycling temperatures. After further testing over 45 cycles, a decrease in energy storage capacity to 1260 MJ m(-3) is observed during the final cycle. The decrease is due to slowing carbonation kinetics, and the original value of energy density may be obtained by lengthening the carbonation steps. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Improvement of medication event interventions through use of an electronic database.

Science.gov (United States)

Merandi, Jenna; Morvay, Shelly; Lewe, Dorcas; Stewart, Barb; Catt, Char; Chanthasene, Phillip P; McClead, Richard; Kappeler, Karl; Mirtallo, Jay M

2013-10-01

Patient safety enhancements achieved through the use of an electronic Web-based system for responding to adverse drug events (ADEs) are described. A two-phase initiative was carried out at an academic pediatric hospital to improve processes related to "medication event huddles" (interdisciplinary meetings focused on ADE interventions). Phase 1 of the initiative entailed a review of huddles and interventions over a 16-month baseline period during which multiple databases were used to manage the huddle process and staff interventions were assigned via manually generated e-mail reminders. Phase 1 data collection included ADE details (e.g., medications and staff involved, location and date of event) and the types and frequencies of interventions. Based on the phase 1 analysis, an electronic database was created to eliminate the use of multiple systems for huddle scheduling and documentation and to automatically generate e-mail reminders on assigned interventions. In phase 2 of the initiative, the impact of the database during a 5-month period was evaluated; the primary outcome was the percentage of interventions documented as completed after database implementation. During the postimplementation period, 44.7% of assigned interventions were completed, compared with a completion rate of 21% during the preimplementation period, and interventions documented as incomplete decreased from 77% to 43.7% (p Process changes, education, and medication order improvements were the most frequently documented categories of interventions. Implementation of a user-friendly electronic database improved intervention completion and documentation after medication event huddles.

Pembangunan Database Destinasi Pariwisata Indonesia Pengumpulan dan Pengolahan Data Tahap I

Directory of Open Access Journals (Sweden)

Yosafati Hulu

2014-12-01

Full Text Available Considering the increasing need for local (government and community in developing tourism destinations in the era of autonomy, considering the need to select the appropriate attraction according to the respective criteria, and considering the needs of businessmen travel / hotel to offer the appropriate attraction with the needs of potential tourists, it is necessary to develop a database of tourist destinations in Indonesia that is able to facilitate these needs. The database is built is a web-based database that is widely accessible and capable of storing complete information about Indonesian tourism destination as a whole, systematic and structured. Attractions in the database already classifiable based attributes: location (the name of the island, province, district, type/tourism products, how to achieve these attractions, the cost, and also a variety of informal information such as: the ins and outs of local attractions by local communities or tourists. This study is a continuation of previous studies or research phase two of three phases planned. Phase two will focus on the collection and processing of data as well as testing and refinement of the model design and database structure that has been created in Phase I. The study was conducted in stages: 1 Design Model and Structure Database,2 Making a Web-based program, 3 Installation and Hosting, 4 Data Collection, 5 Data Processing and Data entry, and 6 Evaluation and improvement/Completion.

Benchmark Study of the Structural and Thermochemical Properties of a Dihydroazulene/Vinylheptafulvene Photoswitch

DEFF Research Database (Denmark)

Koerstz, Mads; Elm, Jonas; Mikkelsen, Kurt Valentin

2017-01-01

We investigate the performance of four different density functional theory (DFT) functionals (M06-2X, ωB97X-D, PBE0, and B3LYP-D3BJ) for calculating the structural and thermochemical properties of the dihydroazulene/vinylheptafulvene photoswitch (DHA/VHF). We find that all the tested DFT......, indicating that the largest source of error when calculating storage free energies originates from errors in the calculated single point energies. It was found that ωB97X-D and M06-2X performed decently for predicting storage energies. While B3LYP-D3BJ and PBE0 generally underestimated the storage energy...

Thermochemical reactivity of 5–15 mol% Fe, Co, Ni, Mn-doped cerium oxides in two-step water-splitting cycle for solar hydrogen production

Energy Technology Data Exchange (ETDEWEB)

Gokon, Nobuyuki, E-mail: ngokon@eng.niigata-u.ac.jp [Center for Transdisciplinary Research, Niigata University, 8050 Ikarashi 2-nocho, Nishi-ku, Niigata 950-2181 (Japan); Suda, Toshinori [Graduate School of Science and Technology, Niigata University, 8050 Ikarashi 2-nocho, Niigata 950-2181 (Japan); Kodama, Tatsuya [Department of Chemistry & Chemical Engineering, Faculty of Engineering, Niigata University, 8050 Ikarashi 2-nocho, Niigata 950-2181 (Japan)

2015-10-10

Highlights: • 5–15 mol% M-doped ceria are examined for thermochemical two-step water-splitting. • 5 mol% Fe- and Co-doped ceria have stoichiometric production of oxygen and hydrogen. • 10–15 mol% Fe- and Mn-doped ceria showed near-stoichiometric production. - Abstract: The thermochemical two-step water-splitting cycle using transition element-doped cerium oxide (M–CeO{sub 2−δ}; M = Fe, Co, Ni, Mn) powders was studied for hydrogen production from water. The oxygen/hydrogen productivity and repeatability of M–CeO{sub 2−δ} materials with M doping contents in the 5–15 mol% range were examined using a thermal reduction (TR) temperature of 1500 °C and water decomposition (WD) temperatures in the 800–1150 °C range. The temperature, steam partial pressure, and steam flow rate in the WD step had an impact on the hydrogen productivity and production rate. 5 mol% Fe- and Co-doped CeO{sub 2−δ} enhances hydrogen productivity by up to 25% on average compared to undoped CeO{sub 2}, and shows stable repeatability of stoichiometric oxygen and hydrogen production for the cyclic thermochemical two-step water-splitting reaction. In addition, 5 mol% Mn-doped CeO{sub 2−δ}, 10 and 15 mol% Fe- and Mn-doped CeO{sub 2−δ} show near stoichiometric reactivities.

Parallel database search and prime factorization with magnonic holographic memory devices

Energy Technology Data Exchange (ETDEWEB)

Khitun, Alexander [Electrical and Computer Engineering Department, University of California - Riverside, Riverside, California 92521 (United States)

2015-12-28

In this work, we describe the capabilities of Magnonic Holographic Memory (MHM) for parallel database search and prime factorization. MHM is a type of holographic device, which utilizes spin waves for data transfer and processing. Its operation is based on the correlation between the phases and the amplitudes of the input spin waves and the output inductive voltage. The input of MHM is provided by the phased array of spin wave generating elements allowing the producing of phase patterns of an arbitrary form. The latter makes it possible to code logic states into the phases of propagating waves and exploit wave superposition for parallel data processing. We present the results of numerical modeling illustrating parallel database search and prime factorization. The results of numerical simulations on the database search are in agreement with the available experimental data. The use of classical wave interference may results in a significant speedup over the conventional digital logic circuits in special task data processing (e.g., √n in database search). Potentially, magnonic holographic devices can be implemented as complementary logic units to digital processors. Physical limitations and technological constrains of the spin wave approach are also discussed.

Parallel database search and prime factorization with magnonic holographic memory devices

Science.gov (United States)

Khitun, Alexander

2015-12-01

In this work, we describe the capabilities of Magnonic Holographic Memory (MHM) for parallel database search and prime factorization. MHM is a type of holographic device, which utilizes spin waves for data transfer and processing. Its operation is based on the correlation between the phases and the amplitudes of the input spin waves and the output inductive voltage. The input of MHM is provided by the phased array of spin wave generating elements allowing the producing of phase patterns of an arbitrary form. The latter makes it possible to code logic states into the phases of propagating waves and exploit wave superposition for parallel data processing. We present the results of numerical modeling illustrating parallel database search and prime factorization. The results of numerical simulations on the database search are in agreement with the available experimental data. The use of classical wave interference may results in a significant speedup over the conventional digital logic circuits in special task data processing (e.g., √n in database search). Potentially, magnonic holographic devices can be implemented as complementary logic units to digital processors. Physical limitations and technological constrains of the spin wave approach are also discussed.

Parallel database search and prime factorization with magnonic holographic memory devices

International Nuclear Information System (INIS)

Khitun, Alexander

2015-01-01

In this work, we describe the capabilities of Magnonic Holographic Memory (MHM) for parallel database search and prime factorization. MHM is a type of holographic device, which utilizes spin waves for data transfer and processing. Its operation is based on the correlation between the phases and the amplitudes of the input spin waves and the output inductive voltage. The input of MHM is provided by the phased array of spin wave generating elements allowing the producing of phase patterns of an arbitrary form. The latter makes it possible to code logic states into the phases of propagating waves and exploit wave superposition for parallel data processing. We present the results of numerical modeling illustrating parallel database search and prime factorization. The results of numerical simulations on the database search are in agreement with the available experimental data. The use of classical wave interference may results in a significant speedup over the conventional digital logic circuits in special task data processing (e.g., √n in database search). Potentially, magnonic holographic devices can be implemented as complementary logic units to digital processors. Physical limitations and technological constrains of the spin wave approach are also discussed

PWR fuel physico chemistry. Improvements of the Sage code to compute thermochemical balance in PWR fuel

International Nuclear Information System (INIS)

Garcia, P.; Baron, D.; Piron, J.P.

1993-02-01

A physicochemical survey of high burnup fuel has been undertaken in the context of a 3-party action (CEA Cadarache - EDF/DER - FRAMATOME). One of the tasks involved consists in adapting the SAGE code for assessment of the thermochemical equilibria of fission products in solution in the fuel matrix. This paper describes the first stage of this task. Even if other improvements are planned, the oxid oxygen potentials are yet properly reproduced for the simulated burnup. (authors). 63 figs., 4 tabs., 41 refs

Thermochemical transformations of anthracene oil

Energy Technology Data Exchange (ETDEWEB)

Belkina, T.V.; Privalov, V.E.; Stepanenko, M.A.

1979-01-01

The basic technological step in electrode pitch production is the thermal processing of the original pitch, combined in some cases with air treatment. The thermal process of electrode pitch production is outstandingly simple and economical, but offers little scope for regulating the product quality. When the coal tar regulating the product quality has been highly pyrolyzed, it becomes difficult to produce a medium electrode pitch in conformity with GOST 10200-73 as regards its content of substances insoluble in quinoline (..cap alpha../sub 1/-fraction). It is particularly difficult to make ptich with a softening point of 85 to 90/sup 0/C from highly pyrolyzed coal tar, since this involves a prolonged treatment which increases the ..cap alpha../sub 1/-fraction content. These difficulties, associated with persistent consumer demand for higher electrode pitch quality, have greatly activated the search for new methods of making electrode pitch. A survey of the Soviet and foreign literature shows that the investigations now in progress relate both to methods of developing new production techniques and to methods of adjusting the initial feedstock composition by the addition of high-boiling coal-tar fractions, pitch distillates, highly aromatized petroleum refinery products and so on. As a result of experiments it was found that: (1) When anthracene oil is heated, its contents of condensation products (..cap alpha../sub 1/- and ..cap alpha..-fractions) increase quite slowly compared with pitch; consequently the electrode pitch production process is prolonged by mixing the two feedstock materials. (2) When the anthracene oil is heat treated first, condensation products form and accumulate in it and its thermochemical transformation activity is enhanced. (3) The use of heat-treated anthracene oil will clearly intensify the electrode pitch production process and raise the product quality.

Study of thermochemically reduced and electron-irradiated LiNbO3 single crystals by positron annihilation and optical absorption measurements

International Nuclear Information System (INIS)

Pareja, R.; Gonzalez, R.; Pedrosa, M.A.

1984-01-01

Irradiation of LiNbO 3 single crystals using Van de Graaff electrons with an energy of 1.5 MeV introduces an optical absorption band similar to that observed in thermochemically reduced samples. As-grown, reduced, or irradiated crystals show single-component positron lifetime spectra with an average decay time of 234 ps. (author)

Comment on the internal consistency of thermodynamic databases supporting repository safety assessments

International Nuclear Information System (INIS)

Arthur, R.C.

2001-11-01

This report addresses the concept of internal consistency and its relevance to the reliability of thermodynamic databases used in repository safety assessments. In addition to being internally consistent, a reliable database should be accurate over a range of relevant temperatures and pressures, complete in the sense that all important aqueous species, gases and solid phases are represented, and traceable to original experimental results. No single definition of internal consistency need to be universally accepted as the most appropriate under all conditions, however. As a result, two databases that are each internally consistent may be inconsistent with respect to each other, and a database derived from two or more such databases must itself be internally inconsistent. The consequences of alternative definitions that are reasonably attributable to the concept of internal consistency can be illustrated with reference to the thermodynamic database supporting SKB's recent SR 97 safety assessment. This database is internally inconsistent because it includes equilibrium constants calculated over a range of temperatures: using conflicting reference values for some solids, gases and aqueous species that are common to two internally consistent databases (the OECD/NEA database for radioelements and SUPCRT databases for non-radioactive elements) that serve as source databases for the SR 97 TDB, using different definitions in these source databases of standard states for condensed phases and aqueous species, based on different mathematical expressions used in these source databases representing the temperature dependence of the heat capacity, and based on different chemical models adopted in these source databases for the aqueous phase. The importance of such inconsistencies must be considered in relation to the other database reliability criteria noted above, however. Thus, accepting a certain level of internal inconsistency in a database it is probably preferable to use a

Comment on the internal consistency of thermodynamic databases supporting repository safety assessments

Energy Technology Data Exchange (ETDEWEB)

Arthur, R.C. [Monitor Scientific, LLC, Denver, CO (United States)

2001-11-01

This report addresses the concept of internal consistency and its relevance to the reliability of thermodynamic databases used in repository safety assessments. In addition to being internally consistent, a reliable database should be accurate over a range of relevant temperatures and pressures, complete in the sense that all important aqueous species, gases and solid phases are represented, and traceable to original experimental results. No single definition of internal consistency need to be universally accepted as the most appropriate under all conditions, however. As a result, two databases that are each internally consistent may be inconsistent with respect to each other, and a database derived from two or more such databases must itself be internally inconsistent. The consequences of alternative definitions that are reasonably attributable to the concept of internal consistency can be illustrated with reference to the thermodynamic database supporting SKB's recent SR 97 safety assessment. This database is internally inconsistent because it includes equilibrium constants calculated over a range of temperatures: using conflicting reference values for some solids, gases and aqueous species that are common to two internally consistent databases (the OECD/NEA database for radioelements and SUPCRT databases for non-radioactive elements) that serve as source databases for the SR 97 TDB, using different definitions in these source databases of standard states for condensed phases and aqueous species, based on different mathematical expressions used in these source databases representing the temperature dependence of the heat capacity, and based on different chemical models adopted in these source databases for the aqueous phase. The importance of such inconsistencies must be considered in relation to the other database reliability criteria noted above, however. Thus, accepting a certain level of internal inconsistency in a database it is probably preferable to

Technology for a Thermo-chemical Ice Penetrator for Icy Moons

Science.gov (United States)

Arenberg, Jonathan; Harpole, George; Zamel, James; Sen, Bashwar; Lee, Greg; Ross, Floyd; Retherford, Kurt D.

2016-10-01

The ability to place sensors or to take samples below the ice surface enables a wide variety of potential scientific investigations. Penetrating an ice cap can be accomplished via a mechanical drill, laser drill, kinetic impactor, or heated penetrator. This poster reports on the development of technology for the latter most option, namely a self-heated probe driven by an exothermic chemical reaction: a Thermo-chemical ice penetrator (TChIP). Our penetrator design employs a eutectic mix of alkali metals that produce an exothermic reaction upon contact with an icy surface. This reaction increases once the ice starts melting, so no external power is required. This technology is inspired by a classified Cold-War era program developed at Northrop Grumman for the US Navy. Terrestrial demonstration of this technology took place in the Arctic; however, this device cannot be considered high TRL for application at the icy moons of the solar system due to the environmental differences between Earth's Arctic and the icy moons. These differences demand a TChIP design specific to these cold, low mass, airless worlds. It is expected that this model of TChIP performance will be complex, incorporating all of the forces on the penetrator, gravity, the thermo-chemistry at the interface between penetrator and ice, and multi-phase heat and mass transport, and hydrodynamics. Our initial efforts are aimed at the development of a validated set of tools and simulations to predict the performance of the penetrator for both the environment found on these icy moons and for a terrestrial environment. The purpose of the inclusion of the terrestrial environment is to aid in model validation. Once developed and validated, our models will allow us to design penetrators for a specific scientific application on a specific body. This poster discusses the range of scientific investigations that are enabled by TChIP. We also introduce the development plan to advance TChIP to the point where it can be

ARTI Refrigerant Database

Energy Technology Data Exchange (ETDEWEB)

Cain, J.M. (Calm (James M.), Great Falls, VA (United States))

1993-04-30

The Refrigerant Database consolidates and facilitates access to information to assist industry in developing equipment using alternative refrigerants. The underlying purpose is to accelerate phase out of chemical compounds of environmental concern. The database provides bibliographic citations and abstracts for publications that may be useful in research and design of air-conditioning and refrigeration equipment. The complete documents are not included. The database identifies sources of specific information on R-32, R-123, R-124, R-125, R-134, R-134a, R-141b, R-142b, R-143a, R-152a, R-245ca, R-290 (propane), R-717 (ammonia), ethers, and others as well as azeotropic and zeotropic blends of these fluids. It addresses lubricants including alkylbenzene, polyalkylene glycol, ester, and other synthetics as well as mineral oils. It also references documents addressing compatibility of refrigerants and lubricants with metals, plastics, elastomers, motor insulation, and other materials used in refrigerant circuits. Incomplete citations or abstracts are provided for some documents to accelerate availability of the information and will be completed or replaced in future updates.

ARTI refrigerant database

Energy Technology Data Exchange (ETDEWEB)

Calm, J.M.

1997-02-01

The Refrigerant Database is an information system on alternative refrigerants, associated lubricants, and their use in air conditioning and refrigeration. It consolidates and facilitates access to property, compatibility, environmental, safety, application and other information. It provides corresponding information on older refrigerants, to assist manufacturers and those using alterative refrigerants, to make comparisons and determine differences. The underlying purpose is to accelerate phase out of chemical compounds of environmental concern. The database provides bibliographic citations and abstracts for publications that may be useful in research and design of air-conditioning and refrigeration equipment. The complete documents are not included, though some may be added at a later date. The database identifies sources of specific information on various refrigerants. It addresses lubricants including alkylbenzene, polyalkylene glycol, polyolester, and other synthetics as well as mineral oils. It also references documents addressing compatibility of refrigerants and lubricants with metals, plastics, elastomers, motor insulation, and other materials used in refrigerant circuits. Incomplete citations or abstracts are provided for some documents. They are included to accelerate availability of the information and will be completed or replaced in future updates.

Thermochemical degradation of limestone aggregate concrete on exposure to sodium fire

International Nuclear Information System (INIS)

Premila, M.; Sivasubramanian, K.; Amarendra, G.; Sundar, C.S.

2008-01-01

Limestone aggregate concrete blocks were subjected to sodium fire conforming to a realistic scenario in order to qualify them as protective sacrificial layers over structural concrete flooring in liquid metal-cooled fast breeder reactors. Mid infrared absorption measurements were carried out on these sodium fire-exposed samples as a function of depth from the affected surface. Definite signatures of thermochemical degradation indicating dehydration and structural modification of the limestone concrete have been obtained. Control runs were carried out to delineate the thermal effects of sodium fires from that of the chemical interaction effects. Measurements on limestone aggregate samples treated with fused NaOH provided direct evidence of the exact mechanism of the sodium attack on concrete. The observed degradation effects were correlated to the mechanical strength of the concrete blocks and to the intensity of the sodium fire experienced

Design consideration on hydrogen production demonstration plant of thermochemical IS process

International Nuclear Information System (INIS)

Iwatsuki, Jin; Noguchi, Hiroki; Terada, Atsuhiko; Kubo, Shinji; Sakaba, Nariaki; Onuki, Kaoru; Hino, Ryutaro

2009-03-01

Preliminary design study was carried out on the hydrogen production demonstration plant of thermochemical IS process. In the pilot test, hydrogen production will be examined under prototypical condition using an apparatus made of industrial materials, which is driven by the sensible heat of helium gas heated by an electric heater that simulates the High Temperature Engineering Test Reactor (HTTR). Tentative system condition was defined considering the HTTR specification and the experience on the construction and the operation of the mock-up test facility using methane reforming for hydrogen production. The process condition and the system flow diagram were discussed to meet the system condition. Based on the defined process condition, types of the main components were discussed taking the corrosion resistance of the structural materials into consideration. Applicable rules and regulations were also surveyed regarding the plant construction and operation. (author)

ARTI refrigerant database

Energy Technology Data Exchange (ETDEWEB)

Calm, J.M. [Calm (James M.), Great Falls, VA (United States)

1999-01-01

The Refrigerant Database is an information system on alternative refrigerants, associated lubricants, and their use in air conditioning and refrigeration. It consolidates and facilities access to property, compatibility, environmental, safety, application and other information. It provides corresponding information on older refrigerants, to assist manufacturers and those using alternative refrigerants, to make comparisons and determine differences. The underlying purpose is to accelerate phase out of chemical compounds of environmental concern.

ARTI refrigerant database

Energy Technology Data Exchange (ETDEWEB)

Calm, J.M.

1996-07-01

The Refrigerant Database is an information system on alternative refrigerants, associated lubricants, and their use in air conditioning and refrigeration. It consolidates and facilitates access to property, compatibility, environmental, safety, application and other information. It provides corresponding information on older refrigerants, to assist manufacturers and those using alternative refrigerants, to make comparisons and determine differences. The underlying purpose is to accelerate phase out of chemical compounds of environmental concern.

ARTI refrigerant database

Energy Technology Data Exchange (ETDEWEB)

Calm, J.M.

1996-11-15

The Refrigerant Database is an information system on alternative refrigerants, associated lubricants, and their use in air conditioning and refrigeration. It consolidates and facilitates access to property, compatibility, environmental, safety, application and other information. It provides corresponding information on older refrigerants, to assist manufacturers and those using alternative refrigerants, to make comparisons and determine differences. The underlying purpose is to accelerate phase out of chemical compounds of environmental concern.

Thermoeconomic analysis of a copper-chlorine thermochemical cycle for nuclear-based hydrogen production

International Nuclear Information System (INIS)

Orhan, Mehmet F.; Dincer, Ibrahim; Rosen, Marc A.

2010-01-01

Thermochemical water splitting with a copper-chlorine (Cu-Cl) cycle is a promising process that could be linked with nuclear reactors to decompose water into its constituents, oxygen and hydrogen, through intermediate copper and chlorine compounds. In this paper, a comprehensive exergoeconomic analysis of the Cu-Cl cycle is reported to evaluate the production costs as a function of the amount and quality of the energy used for hydrogen production, as well as the costs of the exergy losses and the exergoeconomic improvement potential of the equipment used in the process. An additional objective is to determine changes in the design parameters of the Cu-Cl cycle that improve the cost effectiveness of the overall system. (orig.)

Solar thermochemical production of ammonia from water, air and sunlight: Thermodynamic and economic analyses

International Nuclear Information System (INIS)

Michalsky, Ronald; Parman, Bryon J.; Amanor-Boadu, Vincent; Pfromm, Peter H.

2012-01-01

Ammonia is an important input into agriculture and is used widely as base chemical for the chemical industry. It has recently been proposed as a sustainable transportation fuel and convenient one-way hydrogen carrier. Employing typical meteorological data for Palmdale, CA, solar energy is considered here as an inexpensive and renewable energy alternative in the synthesis of NH 3 at ambient pressure and without natural gas. Thermodynamic process analysis shows that a molybdenum-based solar thermochemical NH 3 production cycle, conducted at or below 1500 K, combined with solar thermochemical H 2 production from water may operate at a net-efficiency ranging from 23 to 30% (lower heating value of NH 3 relative to the total energy input). Net present value optimization indicates ecologically and economically sustainable NH 3 synthesis at above about 160 tons NH 3 per day, dependent primarily on heliostat costs (varied between 90 and 164 dollars/m 2 ), NH 3 yields (ranging from 13.9 mol% to stoichiometric conversion of fixed and reduced nitrogen to NH 3 ), and the NH 3 sales price. Economically feasible production at an optimum plant capacity near 900 tons NH 3 per day is shown at relative conservative technical assumptions and at a reasonable NH 3 sales price of about 534 ± 28 dollars per ton NH 3 . -- Highlights: ► Conceptual reactant and process improvements of solar-driven NH 3 synthesis at 1 bar. ► Thermodynamic underpinnings of a Molybdenum reactant. ► Process analysis determining energy and materials requirements and the net-efficiency. ► Net present value analysis accounting for yield, investment, and sales price variations.

The HITRAN 2008 molecular spectroscopic database

International Nuclear Information System (INIS)

Rothman, L.S.; Gordon, I.E.; Barbe, A.; Benner, D.Chris; Bernath, P.F.; Birk, M.; Boudon, V.; Brown, L.R.; Campargue, A.; Champion, J.-P.; Chance, K.; Coudert, L.H.; Dana, V.; Devi, V.M.; Fally, S.; Flaud, J.-M.

2009-01-01

This paper describes the status of the 2008 edition of the HITRAN molecular spectroscopic database. The new edition is the first official public release since the 2004 edition, although a number of crucial updates had been made available online since 2004. The HITRAN compilation consists of several components that serve as input for radiative-transfer calculation codes: individual line parameters for the microwave through visible spectra of molecules in the gas phase; absorption cross-sections for molecules having dense spectral features, i.e. spectra in which the individual lines are not resolved; individual line parameters and absorption cross-sections for bands in the ultraviolet; refractive indices of aerosols, tables and files of general properties associated with the database; and database management software. The line-by-line portion of the database contains spectroscopic parameters for 42 molecules including many of their isotopologues.

Sintering of Cu–Al2O3 nano-composite powders produced by a thermochemical route

Directory of Open Access Journals (Sweden)

MARIJA KORAC

2007-11-01

Full Text Available This paper presents the synthesis of nano-composite Cu–Al2O3 powder by a thermochemical method and sintering, with a comparative analysis of the mechanical and electrical properties of the obtained solid samples. Nano-crystalline Cu–Al2O3 powders were produced by a thermochemical method through the following stages: spray-drying, oxidation of the precursor powder, reduction by hydrogen and homogenization. Characterization of powders included analytical electron microscopy (AEM coupled with energy dispersive spectroscopy (EDS, differenttial thermal and thermogravimetric (DTA–TGA analysis and X-ray diffraction (XRD analysis. The size of the produced powders was 20–50 nm, with a noticeable presence of agglomerates. The composite powders were characterized by a homogenous distribution of Al2O3 in a copper matrix. The powders were cold pressed at a pressure of 500 MPa and sintered in a hydrogen atmosphere under isothermal conditions in the temperature range from 800 to 900 °C for up to 120 min. Characterization of the Cu–Al2O3 sintered system included determination of the density, relative volume change, electrical and mechanical properties, examination of the microstructure by SEM and focused ion beam (FIB analysis, as well as by EDS. The obtained nano-composite, the structure of which was, with certain changes, presserved in the final structure, provided a sintered material with a homogenеous distribution of dispersoid in a copper matrix, with exceptional effects of reinforcement and an excellent combination of mechanical and electrical properties.

Techno-economic Analysis for the Thermochemical Conversion of Biomass to Liquid Fuels

Energy Technology Data Exchange (ETDEWEB)

Zhu, Yunhua; Tjokro Rahardjo, Sandra A.; Valkenburt, Corinne; Snowden-Swan, Lesley J.; Jones, Susanne B.; Machinal, Michelle A.

2011-06-01

). This study is part of an ongoing effort within the Department of Energy to meet the renewable energy goals for liquid transportation fuels. The objective of this report is to present a techno-economic evaluation of the performance and cost of various biomass based thermochemical fuel production. This report also documents the economics that were originally developed for the report entitled “Biofuels in Oregon and Washington: A Business Case Analysis of Opportunities and Challenges” (Stiles et al. 2008). Although the resource assessments were specific to the Pacific Northwest, the production economics presented in this report are not regionally limited. This study uses a consistent technical and economic analysis approach and assumptions to gasification and liquefaction based fuel production technologies. The end fuels studied are methanol, ethanol, DME, SNG, gasoline and diesel.

Thermo-chemical pretreatment and enzymatic hydrolysis for enhancing saccharification of catalpa sawdust.

Science.gov (United States)

Jin, Shuguang; Zhang, Guangming; Zhang, Panyue; Li, Fan; Fan, Shiyang; Li, Juan

2016-04-01

To improve the reducing sugar production from catalpa sawdust, thermo-chemical pretreatments were examined and the chemicals used including NaOH, Ca(OH)2, H2SO4, and HCl. The hemicellulose solubilization and cellulose crystallinity index (CrI) were significantly increased after thermo-alkaline pretreatments, and the thermo-Ca(OH)2 pretreatment showed the best improvement for reducing sugar production comparing to other three pretreatments. The conditions of thermo-Ca(OH)2 pretreatment and enzymatic hydrolysis were systematically optimized. Under the optimal conditions, the reducing sugar yield increased by 1185.7% comparing to the control. This study indicates that the thermo-Ca(OH)2 pretreatment is ideal for the saccharification of catalpa sawdust and that catalpa sawdust is a promising raw material for biofuel. Copyright © 2016 Elsevier Ltd. All rights reserved.

Fiscal 1998 research report. Construction model project of the human sensory database; 1998 nendo ningen kankaku database kochiku model jigyo seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

2000-03-01

This report summarizes the fiscal 1998 research result on construction of the human sensory database. The human sensory database for evaluating working environment was constructed on the basis of the measurement result on human sensory data (stress and fatigue) of 400 examinees at fields (transport field, control room and office) and in a laboratory. By using the newly developed standard measurement protocol for evaluating summer clothing (shirt, slacks and underwear), the database composed of the evaluation experiment results and the comparative experiment results on human physiological and sensory data of aged and young people was constructed. The database is featured by easy retrieval of various information concerned corresponding to requirements of tasks and use purposes. For evaluating the mass data with large time variation read corresponding to use purposes for every scene, the data detection support technique was adopted paying attention to physical and psychological variable phases, and mind and body events. A meaning of reaction and a hint for necessary measures are showed for every phase and event. (NEDO)

Environmental impacts of thermochemical biomass conversion. Final report

Energy Technology Data Exchange (ETDEWEB)

Elliott, D.C.; Hart, T.R.; Neuenschwander, G.G.; McKinney, M.D.; Norton, M.V.; Abrams, C.W. [Pacific Northwest Lab., Richland, WA (United States)

1995-06-01

Thermochemical conversion in this study is limited to fast pyrolysis, upgrading of fast pyrolysis oils, and gasification. Environmental impacts of all types were considered within the project, but primary emphasis was on discharges to the land, air, and water during and after the conversion processes. The project discussed here is divided into five task areas: (1) pyrolysis oil analysis; (2) hydrotreating of pyrolysis oil; (3) gas treatment systems for effluent minimization; (4) strategic analysis of regulatory requirements; and (5) support of the IEA Environmental Systems Activity. The pyrolysis oil task was aimed at understanding the oil contaminants and potential means for their removal. The hydrotreating task was undertaken to better define one potential means for both improving the quality of the oil but also removing contaminants from the oil. Within Task 3, analyses were done to evaluate the results of gasification product treatment systems. Task 4 was a review and collection of regulatory requirements which would be applicable to the subject processes. The IEA support task included input to and participation in the IEA Bioenergy activity which directly relates to the project subject. Each of these tasks is described along with the results. Conclusions and recommendations from the overall project are given.

Environmental impacts of thermochemical biomass conversion. Final report

International Nuclear Information System (INIS)

Elliott, D.C.; Hart, T.R.; Neuenschwander, G.G.; McKinney, M.D.; Norton, M.V.; Abrams, C.W.

1995-06-01

Thermochemical conversion in this study is limited to fast pyrolysis, upgrading of fast pyrolysis oils, and gasification. Environmental impacts of all types were considered within the project, but primary emphasis was on discharges to the land, air, and water during and after the conversion processes. The project discussed here is divided into five task areas: (1) pyrolysis oil analysis; (2) hydrotreating of pyrolysis oil; (3) gas treatment systems for effluent minimization; (4) strategic analysis of regulatory requirements; and (5) support of the IEA Environmental Systems Activity. The pyrolysis oil task was aimed at understanding the oil contaminants and potential means for their removal. The hydrotreating task was undertaken to better define one potential means for both improving the quality of the oil but also removing contaminants from the oil. Within Task 3, analyses were done to evaluate the results of gasification product treatment systems. Task 4 was a review and collection of regulatory requirements which would be applicable to the subject processes. The IEA support task included input to and participation in the IEA Bioenergy activity which directly relates to the project subject. Each of these tasks is described along with the results. Conclusions and recommendations from the overall project are given

Bayesian Calibration of Thermodynamic Databases and the Role of Kinetics

Science.gov (United States)

Wolf, A. S.; Ghiorso, M. S.

2017-12-01

Self-consistent thermodynamic databases of geologically relevant materials (like Berman, 1988; Holland and Powell, 1998, Stixrude & Lithgow-Bertelloni 2011) are crucial for simulating geological processes as well as interpreting rock samples from the field. These databases form the backbone of our understanding of how fluids and rocks interact at extreme planetary conditions. Considerable work is involved in their construction from experimental phase reaction data, as they must self-consistently describe the free energy surfaces (including relative offsets) of potentially hundreds of interacting phases. Standard database calibration methods typically utilize either linear programming or least squares regression. While both produce a viable model, they suffer from strong limitations on the training data (which must be filtered by hand), along with general ignorance of many of the sources of experimental uncertainty. We develop a new method for calibrating high P-T thermodynamic databases for use in geologic applications. The model is designed to handle pure solid endmember and free fluid phases and can be extended to include mixed solid solutions and melt phases. This new calibration effort utilizes Bayesian techniques to obtain optimal parameter values together with a full family of statistically acceptable models, summarized by the posterior. Unlike previous efforts, the Bayesian Logistic Uncertain Reaction (BLUR) model directly accounts for both measurement uncertainties and disequilibrium effects, by employing a kinetic reaction model whose parameters are empirically determined from the experiments themselves. Thus, along with the equilibrium free energy surfaces, we also provide rough estimates of the activation energies, entropies, and volumes for each reaction. As a first application, we demonstrate this new method on the three-phase aluminosilicate system, illustrating how it can produce superior estimates of the phase boundaries by incorporating constraints

Validation of a raw data-based synchronization signal (kymogram) for phase-correlated cardiac image reconstruction

International Nuclear Information System (INIS)

Ertel, Dirk; Kachelriess, Marc; Kalender, Willi A.; Pflederer, Tobias; Achenbach, Stephan; Steffen, Peter

2008-01-01

Phase-correlated reconstruction is commonly used in computed tomography (CT)-based cardiac imaging. Alternatively to the commonly used ECG, the raw data-based kymogram function can be used as a synchronization signal. We used raw data of 100 consecutive patient exams to compare the performance of kymogram function to the ECG signal. For objective validation the correlation of the ECG and the kymogram was assessed. Additionally, we performed a double-blinded comparison of ECG-based and kymogram-based phase-correlated images. The two synchronization signals showed good correlation indicated by a mean difference in the detected heart rate of negligible 0.2 bpm. The mean image quality score was 2.0 points for kymogram-correlated images and 2.3 points for ECG-correlated images, respectively (3: best; 0: worst). The kymogram and the ECG provided images adequate for diagnosis for 93 and 97 patients, respectively. For 50% of the datasets the kymogram provided an equivalent or even higher image quality compared with the ECG signal. We conclude that an acceptable image quality can be assured in most cases by the kymogram. Improvements of image quality by the kymogram function were observed in a noticeable number of cases. The kymogram can serve as a backup solution when an ECG is not available or lacking in quality. (orig.)

Treatment of aqueous phase of bio-oil by granular activated carbon and evaluation of biogas production.

Science.gov (United States)

Shanmugam, Saravanan R; Adhikari, Sushil; Wang, Zhouhang; Shakya, Rajdeep

2017-01-01

Hydrothermal liquefaction of wet biomass such as algae is a promising thermochemical process for the production of bio-oil. Bio-oil aqueous phase generated during liquefaction process is rich in complex organics and can be utilized for biogas production following its pre-treatment with granular activated carbon. In our study, use of 30% activated carbon resulted in higher chemical oxygen demand (COD) reduction (53±0.3%) from aqueous phase. Higher CH 4 production (84±12mL/gCOD) was also observed in 30% carbon-treated aqueous phase fed cultures, whereas only 32±6mLCH 4 /gCOD was observed in control (non-carbon treated) cultures. The results from this study indicate that almost 67±0.3% initial COD of aqueous phase can be reduced using a combination of both carbon treatment and biogas production. This study shows that aqueous phase can be utilized for CH 4 production. Copyright © 2016 Elsevier Ltd. All rights reserved.

A comparison of producer gas, biochar, and activated carbon from two distributed scale thermochemical conversion systems used to process forest biomass

Science.gov (United States)

Nathaniel Anderson; J. Greg Jones; Deborah Page-Dumroese; Daniel McCollum; Stephen Baker; Daniel Loeffler; Woodam Chung

2013-01-01

Thermochemical biomass conversion systems have the potential to produce heat, power, fuels and other products from forest biomass at distributed scales that meet the needs of some forest industry facilities. However, many of these systems have not been deployed in this sector and the products they produce from forest biomass have not been adequately described or...

Database Description - Trypanosomes Database | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available List Contact us Trypanosomes Database Database Description General information of database Database name Trypanosomes Database...stitute of Genetics Research Organization of Information and Systems Yata 1111, Mishima, Shizuoka 411-8540, JAPAN E mail: Database...y Name: Trypanosoma Taxonomy ID: 5690 Taxonomy Name: Homo sapiens Taxonomy ID: 9606 Database description The... Article title: Author name(s): Journal: External Links: Original website information Database maintenance s...DB (Protein Data Bank) KEGG PATHWAY Database DrugPort Entry list Available Query search Available Web servic

Salt impregnated desiccant matrices for ‘open’ thermochemical energy conversion and storage – Improving energy density utilisation through hygrodynamic & thermodynamic reactor design

International Nuclear Information System (INIS)

Casey, Sean P.; Aydin, Devrim; Elvins, Jon; Riffat, Saffa

2017-01-01

Highlights: • A selection of sorbents were tested for open thermochemical heat storage. • Sorbent performances were experimentally compared in two different reactors. • SIM-3a provided the best cyclic behaviour and thermal performance. • Using meshed tube air diffusers improves sorption heat storage performance. • A linear correlation between heat output and moisture uptake was obtained. - Abstract: In this study, the performance of three nano-composite energy storage absorbents; Vermiculite-CaCl_2 (SIM-3a), Vermiculite-CaCl_2-LiNO_3 (SIM-3f), and the desiccant Zeolite 13X were experimentally investigated for suitability to domestic scale thermal energy storage. A novel 3 kWh open thermochemical reactor consisting of new meshed tube air diffusers was built to experimentally examine performance. The results were compared to those obtained using a previously developed flatbed experimental reactor. SIM-3a has the best cyclic behaviour and thermal performance. It was found that 0.01 m"3 of SIM-3a can provide an average temperature lift of room air, ΔT = 20 °C over 180 min whereas for SIM-3f, ΔT < 15 °C was achieved. Zeolite provided high sorption heat in close approximation with SIM-3a, however, the higher desorption temperature requirements coupled with poor cyclic ability remain as obstacles to the roll out this material commercially. The study results clearly show that the concept of using perforated tubes embedded inside the heat storage material significantly improves performance by enhancing the contact surface area between air → absorbent whilst increasing vapour diffusion. The results suggest a linear correlation between thermal performance and moisture uptake, ΔT–Δw. Determining these operating lines will prove useful for predicting achievable temperature lift and also for effective design and control of thermochemical heat storage systems.

Hydrogen production via thermochemical water-splitting by lithium redox reaction

International Nuclear Information System (INIS)

Nakamura, Naoya; Miyaoka, Hiroki; Ichikawa, Takayuki; Kojima, Yoshitsugu

2013-01-01

Highlights: •Hydrogen production via water-splitting by lithium redox reactions possibly proceeds below 800 °C. •Entropy control by using nonequilibrium technique successfully reduces the reaction temperature. •The operating temperature should be further reduced by optimizing the nonequilibrium condition to control the cycle. -- Abstracts: Hydrogen production via thermochemical water-splitting by lithium redox reactions was investigated as energy conversion technique. The reaction system consists of three reactions, which are hydrogen generation by the reaction of lithium and lithium hydroxide, metal separation by thermolysis of lithium oxide, and oxygen generation by hydrolysis of lithium peroxide. The hydrogen generation reaction completed at 500 °C. The metal separation reaction is thermodynamically difficult because it requires about 3400 °C in equilibrium condition. However, it was indicated from experimental results that the reaction temperature was drastically reduced to 800 °C by using nonequilibrium technique. The hydrolysis reaction was exothermic reaction, and completed by heating up to 300 °C. Therefore, it was expected that the water-splitting by lithium redox reactions was possibly operated below 800 °C under nonequilibrium condition

In vitro thermal profile suitability assessment of acids and bases for thermochemical ablation: underlying principles.

Science.gov (United States)

Freeman, Laura A; Anwer, Bilal; Brady, Ryan P; Smith, Benjamin C; Edelman, Theresa L; Misselt, Andrew J; Cressman, Erik N K

2010-03-01

To measure and compare temperature changes in a recently developed gel phantom for thermochemical ablation as a function of reagent strength and concentration with several acids and bases. Aliquots (0.5-1 mL) of hydrochloric acid or acetic acid and sodium hydroxide or aqueous ammonia were injected for 5 seconds into a hydrophobic gel phantom. Stepwise increments in concentration were used to survey the temperature changes caused by these reactions. Injections were performed in triplicate, measured with a thermocouple probe, and plotted as functions of concentration and time. Maximum temperatures were reached almost immediately in all cases, reaching 75 degrees C-110 degrees C at the higher concentrations. The highest temperatures were seen with hydrochloric acid and either base. More concentrated solutions of sodium hydroxide tended to mix incompletely, such that experiments at 9 M and higher were difficult to perform consistently. Higher concentrations for any reagent resulted in higher temperatures. Stronger acid and base combinations resulted in higher temperatures versus weak acid and base combinations at the same concentration. Maximum temperatures obtained are in a range known to cause tissue coagulation, and all combinations tested therefore appeared suitable for further investigation in thermochemical ablation. Because of the loss of the reaction chamber shape at higher concentrations of stronger agents, the phantom does not allow complete characterization under these circumstances. Adequate mixing of reagents to maximize heating potential and avoid systemic exposure to unreacted acid and base must be addressed if the method is to be safely employed in tissues. In addition, understanding factors that control lesion shape in a more realistic tissue model will be critical. Copyright 2010 SIR. Published by Elsevier Inc. All rights reserved.

Database Description - SKIP Stemcell Database | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available List Contact us SKIP Stemcell Database Database Description General information of database Database name SKIP Stemcell Database...rsity Journal Search: Contact address http://www.skip.med.keio.ac.jp/en/contact/ Database classification Human Genes and Diseases Dat...abase classification Stemcell Article Organism Taxonomy Name: Homo sapiens Taxonomy ID: 9606 Database...ks: Original website information Database maintenance site Center for Medical Genetics, School of medicine, ...lable Web services Not available URL of Web services - Need for user registration Not available About This Database Database

Database Description - Arabidopsis Phenome Database | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available List Contact us Arabidopsis Phenome Database Database Description General information of database Database n... BioResource Center Hiroshi Masuya Database classification Plant databases - Arabidopsis thaliana Organism T...axonomy Name: Arabidopsis thaliana Taxonomy ID: 3702 Database description The Arabidopsis thaliana phenome i...heir effective application. We developed the new Arabidopsis Phenome Database integrating two novel database...seful materials for their experimental research. The other, the “Database of Curated Plant Phenome” focusing

Thermochemical data acquisition: technical progress report, 1 January - 30 June 1990

International Nuclear Information System (INIS)

Bowsher, B.R.; Dickinson, S.; Newland, M.S.; Ogden, J.S.; Potter, P.E.

1990-07-01

Thermochemical data are being determined for a number of compounds of fission products and reactor materials. The compounds selected for this experimental study were chosen where thermodynamic data did not exist or were inadequate, based on the assessment and recommendations of a specialists' meeting. The vaporisation behaviour of indium telluride, indium (III) iodide, caesium molybdate, cadmium iodide and a caesium-cadmium-iodine ternary salt have been studied by mass spectrometry and matrix isolation-infrared spectroscopy. The resulting vapour species have been identified, and thermodynamic quantities have been calculated for the following molecules: In 2 Te, In 2 I 6 , InI 3 , InI and Cs 2 MoO 4 . The vaporisation behaviour of Ag-In-Cd control rod alloy has been studied by simultaneous differential thermal analysis and thermogravimetry; observations are consistent with theoretical predictions for the non-ideal Ag-In system. Critical assessment of the cadmium-hydrogen-iodine-oxygen system have also begun. (author)

Thermochemical water-splitting cycle, bench-scale investigations and process engineering. Annual report, October 1, 1978-September 30, 1979

Energy Technology Data Exchange (ETDEWEB)

Caprioglio, G.; McCorkle, K.H.; Besenbruch, G.E.; Rode, J.S.

1980-03-01

A program to investigate thermochemical water splitting has been under way at General Atomic Company (GA) since October 1972. This document is an annual progress report of Department of Energy (DOE) sponsored process development work on the GA sulfur-iodine thermochemical water splitting cycle. The work consisted of laboratory bench-scale investigations, demonstration of the process in a closed-loop cycle demonstrator, and process engineering design studies. A bench-scale system, consisting of three subunits, has been designed to study the cycle under continuous flow conditions. The designs of subunit I, which models the main solution reaction and product separation, and subunit II, which models the concentration and decomposition of sulfuric acid, were presented in an earlier annual report. The design of subunit III, which models the purification and decomposition of hydrogen iodide, is given in this report. Progress on the installation and operation of subunits I and II is described. A closed-loop cycle demonstrator was installed and operated based on a DOE request. Operation of the GA sulfur-iodine cycle was demonstrated in this system under recycle conditions. The process engineering addresses the flowsheet design of a large-scale production process consisting of four chemical sections (I through IV) and one helium heat supply section (V). The completed designs for sections I through V are presented. The thermal efficiency of the process calculated from the present flowsheet is 47%.

MOLDATA: a thermochemical data base for phenomenological and safety assessment studies for disposal of radioactive waste in Belgium

International Nuclear Information System (INIS)

Wang, L.; Salah, S.; De Soete, H.

2010-01-01

Document available in extended abstract form only. A Thermochemical Data Base (TDB) is one of the building blocks on which a safety assessment (SA) for a safe disposal of radioactive waste is based. It is therefore essential to use a TDB with a defensible quality so that the inputs for a SA is based on sound theories and reliable numerical values. In addition to the quality of the TDB, it is desirable to use the same TDB for different modelling purposes, to ensure a consistency among different applications. This paper presents the MOLDATA - a TDB currently under compilation by SCK.CEN at Mol (Belgium) to be used in the framework of the safety case development by ONDRAF/NIRAS, the Belgian Agency for Radioactive Waste and Fissile Materials. To pursue a high quality TDB in SA related to various radioactive waste disposal programs, ONDRAF/ NIRAS defined quality measures for evaluating the quality of modelling tools and databases used for their waste management programs. With respect to the TDB, high quality means that the data must represent the state-of-the-art information, data should be internally consistent, and well documented. The quality measures also require verification of scientific correctness of the databases and the correctness of database implementation. In addition, the TDB should cover data that are specifically applicable to modelling chemical and geochemical processes that are related to the currently selected reference repository host rock formation and engineering design. To meet these quality measures, the following criteria are used in the process of the MOLDATA compilation: - Data reliability. This concerns the requirement of 'scientific correctness' for a numerical value in a TDB. In a lot of cases, the correctness of a thermochemical data is difficult to verify since thermodynamics is essentially an experimental science and new data with an improved quality are constantly becoming available in scientific literature. Therefore we

Li depletion effects on Li2TiO3 reaction with H2 in thermo-chemical environment relevant to breeding blanket for fusion power plants

International Nuclear Information System (INIS)

Alvani, Carlo; Casadio, Sergio; Contini, Vittoria; Giorgi, Rossella; Mancini, Maria Rita; Tsuchiya, Kunihiko; Kawamura, Hiroshi

2005-07-01

This is a report of the Working Group in the Subtask on Solid Breeder Blankets under the Implementing Agreement on a Co-operative Programme on Nuclear Technology of Fusion Reactors (International Energy Agency (IEA)). This Working Group (Task F and WG-F) was performed from 2000 to 2004 by a collaboration of European Union (EU) and Japan (JA). In this report, lithium depletion effects on the reaction of lithium titanate (Li 2 TiO 3 ) with hydrogen (H 2 ) in thermo-chemical environment were discussed. The reaction of Li 2 TiO 3 ceramics with H 2 was studied in a thermo-chemical environment simulating (excepting irradiation) that of the hottest pebble-bed zone of breeding-blanket actually designed for fusion power plants. This 'reduction' as performed at 900degC in Ar+0.1%H, purge gas (He+0.1%H 2 being the designed reference') was found to be enhanced by TiO 2 doping of the specimens of simulate 6 Li-burn-up expected to reach 20% at their end-of-life. The reaction rates, however, were so slow to be not significantly extrapolated to the breeder material service time (years). In Ar+3%H 2 , faster reaction rates allowed a better identification of the process evolution (kinetics) by Temperature-Programmed Reduction' (TPR) and 'Oxidation' (TPO), and combined TG-DTA thermal analysis. The reduction of pure Li 4/5 TiO 12/5 spinel phase to Li 4/5 TiO 12/5-y was found to reach in one day the steady state at the O-vacancy concentration y=0.2. Complimentary microscopy (SEM) and spectroscopy (XRD, XPS) techniques were used to characterize the reaction products among which the presence of the orthorhombic Li v TiO 2 (0 ≤ v ≤ 1/2) and Li 2 TiO 3 could be diagnosed. So that the complete spinel reduction to Li 1/2 TiO 2 was obtained according to a scheme involving the Li 1/2 TiO 2 -Li 4/5 TiO 12/5 spinel phase solid solution for which y=3v/(10-5v). The reduction rate of pure meta-titanate to Li 2 TiO 3-x was found much lower (x approx. = 0.01) and even possibly due to the presence

The Structural Ceramics Database: Technical Foundations

Science.gov (United States)

Munro, R. G.; Hwang, F. Y.; Hubbard, C. R.

1989-01-01

The development of a computerized database on advanced structural ceramics can play a critical role in fostering the widespread use of ceramics in industry and in advanced technologies. A computerized database may be the most effective means of accelerating technology development by enabling new materials to be incorporated into designs far more rapidly than would have been possible with traditional information transfer processes. Faster, more efficient access to critical data is the basis for creating this technological advantage. Further, a computerized database provides the means for a more consistent treatment of data, greater quality control and product reliability, and improved continuity of research and development programs. A preliminary system has been completed as phase one of an ongoing program to establish the Structural Ceramics Database system. The system is designed to be used on personal computers. Developed in a modular design, the preliminary system is focused on the thermal properties of monolithic ceramics. The initial modules consist of materials specification, thermal expansion, thermal conductivity, thermal diffusivity, specific heat, thermal shock resistance, and a bibliography of data references. Query and output programs also have been developed for use with these modules. The latter program elements, along with the database modules, will be subjected to several stages of testing and refinement in the second phase of this effort. The goal of the refinement process will be the establishment of this system as a user-friendly prototype. Three primary considerations provide the guidelines to the system’s development: (1) The user’s needs; (2) The nature of materials properties; and (3) The requirements of the programming language. The present report discusses the manner and rationale by which each of these considerations leads to specific features in the design of the system. PMID:28053397

Standard thermochemical characteristics of combustion and formation of 3,5-di-tert-butyl-o-benzoquinone and 3,6-di-tert-butyl-o-benzoquinone at T = 298.15 K

International Nuclear Information System (INIS)

Pashanova, Kira I.; Abakumov, Gleb A.; Markin, Alexey V.; Piskunov, Alexander V.; Smirnova, Natalia N.

2016-01-01

Highlights: • We report the results of thermochemical study for benzoquinone derivatives. • Optimal conditions for determination of combustion energy for benzoquinone were done. • The formation enthalpies for crystalline benzoquinone have been detected at T = 298.15 K. • The formation enthalpy of isomeric quinones were compared. - Abstract: Optimal conditions for investigations of thermodynamic properties have been determined experimentally by the method of combustion calorimetry for compounds of the o-benzoquinone series. In the present work, the energies of combustion in oxygen were measured at T = 298.15 K by static bomb combustion calorimetry for 3,5-di-tert-butyl-o-benzoquinone and 3,6-di-tert-butyl-o-benzoquinone. The experimental values have been used to calculate the standard (p° = 0.1 MPa) molar enthalpy of combustion Δ_cH"o_m and formation Δ_fH"o_m for the examined compounds in the crystalline phase.

Towards a common thermodynamic database for speciation models

International Nuclear Information System (INIS)

Lee, J. van der; Lomenech, C.

2004-01-01

Bio-geochemical speciation models and reactive transport models are reaching an operational stage, allowing simulation of complex dynamic experiments and description of field observations. For decades, the main focus has been on model performance but at present, the availability and reliability of thermodynamic data is the limiting factor of the models. Thermodynamic models applied to real and complex geochemical systems require much more extended thermodynamic databases with many minerals, colloidal phases, humic and fulvic acids, cementitious phases and (dissolved) organic complexing agents. Here we propose a methodological approach to achieve, ultimately, a common, operational database including the reactions and constants of these phases. Provided they are coherent with the general thermodynamic laws, sorption reactions are included as well. We therefore focus on sorption reactions and parameter values associated with specific sorption models. The case of sorption on goethite has been used to illustrate the way the methodology handles the problem of inconsistency and data quality. (orig.)

Life cycle assessment of nuclear-based hydrogen production via thermochemical water splitting using a copper-chlorine (Cu-Cl) cycle

Science.gov (United States)

Ozbilen, Ahmet Ziyaettin

The energy carrier hydrogen is expected to solve some energy challenges. Since its oxidation does not emit greenhouse gases (GHGs), its use does not contribute to climate change, provided that it is derived from clean energy sources. Thermochemical water splitting using a Cu-Cl cycle, linked with a nuclear super-critical water cooled reactor (SCWR), which is being considered as a Generation IV nuclear reactor, is a promising option for hydrogen production. In this thesis, a comparative environmental study is reported of the three-, four- and five-step Cu-Cl thermochemical water splitting cycles with various other hydrogen production methods. The investigation uses life cycle assessment (LCA), which is an analytical tool to identify and quantify environmentally critical phases during the life cycle of a system or a product and/or to evaluate and decrease the overall environmental impact of the system or product. The LCA results for the hydrogen production processes indicate that the four-step Cu-Cl cycle has lower environmental impacts than the three- and five-step Cu-Cl cycles due to its lower thermal energy requirement. Parametric studies show that acidification potentials (APs) and global warming potentials (GWPs) for the four-step Cu-Cl cycle can be reduced from 0.0031 to 0.0028 kg SO2-eq and from 0.63 to 0.55 kg CO2-eq, respectively, if the lifetime of the system increases from 10 to 100 years. Moreover, the comparative study shows that the nuclear-based S-I and the four-step Cu-Cl cycles are the most environmentally benign hydrogen production methods in terms of AP and GWP. GWPs of the S-I and the four-step Cu-Cl cycles are 0.412 and 0.559 kg CO2-eq for reference case which has a lifetime of 60 years. Also, the corresponding APs of these cycles are 0.00241 and 0.00284 kg SO2-eq. It is also found that an increase in hydrogen plant efficiency from 0.36 to 0.65 decreases the GWP from 0.902 to 0.412 kg CO 2-eq and the AP from 0.00459 to 0.00209 kg SO2-eq for the

Phase diagram, thermodynamic investigations, and modelling of systems relevant to lithium-ion batteries

International Nuclear Information System (INIS)

Fuertauer, Siegfried; Beutl, Alexander; Flanorfer, Hans; Henriques, David; Giel, Hans; Markus, Thorsten

2017-01-01

This article reports on two consecutive joint projects titled ''Experimental Thermodynamics and Phase Relations of New Electrode Materials for Lithium-Ion Batteries'', which were performed in the framework of the WenDeLIB 1473 priority program ''Materials with new Design for Lithium Ion Batteries''. Hundreds of samples were synthesized using experimental techniques specifically developed to deal with highly reactive lithium and lithium-containing compounds to generate electrochemical, phase diagram and crystal structure data in the Cu-Li, Li-Sn, Li-Sb, Cu-Li-Sn, Cu-Li-Sb and selected oxide systems. The thermochemical and phase diagram data were subsequently used to develop self-consistent thermodynamic descriptions of several binary systems. In the present contribution, the experimental techniques, working procedures, results and their relevance to the development of new electrode materials for lithium ion batteries are discussed and summarized. The collaboration between the three groups has resulted in more than fifteen (15) published articles during the six-year funding period.

Phase diagram, thermodynamic investigations, and modelling of systems relevant to lithium-ion batteries

Energy Technology Data Exchange (ETDEWEB)

Fuertauer, Siegfried; Beutl, Alexander; Flanorfer, Hans [Vienna Univ. (Austria). Dept. of Inorganic Chemistry - Functional Materials; Li, Dajian; Cupid, Damian [Karlsruhe Institute of Technology (KIT), Eggenstein-Leopoldshafen (Germany). Inst. for Applied Materials - Applied Materials Physics (IAM-AWP); Henriques, David; Giel, Hans; Markus, Thorsten [Mannheim Univ. of Applied Sciences (Germany). Inst. for Thermo- and Fluiddynamics

2017-11-15

This article reports on two consecutive joint projects titled ''Experimental Thermodynamics and Phase Relations of New Electrode Materials for Lithium-Ion Batteries'', which were performed in the framework of the WenDeLIB 1473 priority program ''Materials with new Design for Lithium Ion Batteries''. Hundreds of samples were synthesized using experimental techniques specifically developed to deal with highly reactive lithium and lithium-containing compounds to generate electrochemical, phase diagram and crystal structure data in the Cu-Li, Li-Sn, Li-Sb, Cu-Li-Sn, Cu-Li-Sb and selected oxide systems. The thermochemical and phase diagram data were subsequently used to develop self-consistent thermodynamic descriptions of several binary systems. In the present contribution, the experimental techniques, working procedures, results and their relevance to the development of new electrode materials for lithium ion batteries are discussed and summarized. The collaboration between the three groups has resulted in more than fifteen (15) published articles during the six-year funding period.

Flow Accelerated Corrosion: Effect of Water Chemistry and Database Construction

Energy Technology Data Exchange (ETDEWEB)

Lee, Eun Hee; Kim, Kyung Mo; Lee, Gyeong Geun; Kim, Dong Jin [KAERI, Daejeon (Korea, Republic of)

2016-05-15

Flow accelerated corrosion (FAC) of carbon steel piping in pressurized water reactors (PWRs) has been a major issue in nuclear industry. Severe accidents at Surry Unit 2 in 1986 and Mihama Unit 3 in 2004 initiated the world wide interest in this area. FAC is a dissolution process of the protective oxide layer on carbon steel or low-alloy steel when these parts are exposed to flowing water (single-phase) or wet steam (two-phase). In a single-phase flow, a scalloped, wavy, or orange peel and in a two-phase flow, tiger striping is observed, respectively. FAC is affected by many parameters, like material composition, pH, dissolved oxygen (DO), flow velocity, system pressure, and steam quality. This paper describes the water chemistry factors influencing on FAC and the database is then constructed using literature data. In order to minimize FAC in NPPs, the optimal method is to control water chemistry parameters. However, quantitative data about FAC have not been published for proprietary reason even though qualitative behaviors of FAC have been well understood. A database was constructed using experimental data in literature. Accurate statistical analysis will be performed using this database to identify the relationship between the FAC rate and test environment.

Quality Assurance Procedures for ModCat Database Code Files

Energy Technology Data Exchange (ETDEWEB)

Siciliano, Edward R.; Devanathan, Ram; Guillen, Zoe C.; Kouzes, Richard T.; Schweppe, John E.

2014-04-01

The Quality Assurance procedures used for the initial phase of the Model Catalog Project were developed to attain two objectives, referred to as “basic functionality” and “visualization.” To ensure the Monte Carlo N-Particle model input files posted into the ModCat database meet those goals, all models considered as candidates for the database are tested, revised, and re-tested.

A solar receiver-storage modular cascade based on porous ceramic structures for hybrid sensible/thermochemical solar energy storage

OpenAIRE

Agrafiotis, Christos; de Oliveira, Lamark; Roeb, Martin; Sattler, Christian

2016-01-01

The current state-of-the-art solar heat storage concept in air-operated Solar Tower Power Plants is to store the solar energy provided during on-sun operation as sensible heat in porous solid materials that operate as recuperators during off-sun operation. The technology is operationally simple; however its storage capacity is limited to 1.5 hours. An idea for extending this capacity is to render this storage concept from “purely” sensible to “hybrid” sensible/ thermochemical one, via coating...

Task 19 - Sampling, Analysis, and Vitrification Study for Thermochem's Steam Reformer Treatment Technology

International Nuclear Information System (INIS)

Lillemoen, C.M.; McCollor, D.P.; Qi Sun

1998-01-01

The overall objective of the project is to provide support to Thermochem, Inc., in the demonstration of the steam reformer treatment technology to treat LLMW. Within this program, specific objectives include the following: (1) Analyze cerium, chlorine, and fluorine concentrations in samples from the pilot-scale steam reformer tests to determine partitioning of these elements, mass balances, and changes in concentration with time. (2) Perform experimental characterization of temperature--viscosity profiles to aid in determining vitrification viability for long-term stabilization. Additionally, calculations of viscosity will be performed for several blend combinations to complement the experimentally determined values. (3) Conduct leachability tests on the vitrified slags to aid in determining if product leachability falls within EPA guidelines and to assess the suitability of the vitrified material for long-term disposal

High Efficiency Generation of Hydrogen Fuels Using Solar Thermochemical Splitting of Water

Energy Technology Data Exchange (ETDEWEB)

Heske, Clemens; Moujaes, Samir; Weimer, Alan; Wong, Bunsen; Siegal, Nathan; McFarland, Eric; Miller, Eric; Lewis, Michele; Bingham, Carl; Roth, Kurth; Sabacky, Bruce; Steinfeld, Aldo

2011-09-29

The objective of this work is to identify economically feasible concepts for the production of hydrogen from water using solar energy. The ultimate project objective was to select one or more competitive concepts for pilot-scale demonstration using concentrated solar energy. Results of pilot scale plant performance would be used as foundation for seeking public and private resources for full-scale plant development and testing. Economical success in this venture would afford the public with a renewable and limitless source of energy carrier for use in electric power load-leveling and as a carbon-free transportation fuel. The Solar Hydrogen Generation Research (SHGR) project embraces technologies relevant to hydrogen research under the Office of Hydrogen Fuel Cells and Infrastructure Technology (HFCIT) as well as concentrated solar power under the Office of Solar Energy Technologies (SET). Although the photoelectrochemical work is aligned with HFCIT, some of the technologies in this effort are also consistent with the skills and technologies found in concentrated solar power and photovoltaic technology under the Office of Solar Energy Technologies (SET). Hydrogen production by thermo-chemical water-splitting is a chemical process that accomplishes the decomposition of water into hydrogen and oxygen using only heat or a combination of heat and electrolysis instead of pure electrolysis and meets the goals for hydrogen production using only water and renewable solar energy as feed-stocks. Photoelectrochemical hydrogen production also meets these goals by implementing photo-electrolysis at the surface of a semiconductor in contact with an electrolyte with bias provided by a photovoltaic source. Here, water splitting is a photo-electrolytic process in which hydrogen is produced using only solar photons and water as feed-stocks. The thermochemical hydrogen task engendered formal collaborations among two universities, three national laboratories and two private sector

ARTI refrigerant database

Energy Technology Data Exchange (ETDEWEB)

Calm, J.M. [Calm (James M.), Great Falls, VA (United States)

1998-08-01

The Refrigerant Database is an information system on alternative refrigerants, associated lubricants, and their use in air conditioning and refrigeration. It consolidates and facilitates access to property, compatibility, environmental, safety, application and other information. It provides corresponding information on older refrigerants, to assist manufactures and those using alternative refrigerants, to make comparisons and determine differences. The underlying purpose is to accelerate phase out of chemical compounds of environmental concern. The database provides bibliographic citations and abstracts for publications that may be useful in research and design of air-conditioning and refrigeration equipment. The complete documents are not included, though some may be added at a later date. The database identifies sources of specific information on many refrigerants including propane, ammonia, water, carbon dioxide, propylene, ethers, and others as well as azeotropic and zeotropic blends of these fluids. It addresses lubricants including alkylbenzene, polyalkylene glycol, polyolester, and other synthetics as well as mineral oils. It also references documents addressing compatibility of refrigerants and lubricants with metals, plastics, elastomers, motor insulation, and other materials used in refrigerant circuits. Incomplete citations or abstracts are provided for some documents. They are included to accelerate availability of the information and will be completed or replaced in future updates.

The HITRAN 2004 molecular spectroscopic database

Energy Technology Data Exchange (ETDEWEB)

Rothman, L.S. [Harvard-Smithsonian Center for Astrophysics, Atomic and Molecular Physics Division, Cambridge, MA 02138 (United States)]. E-mail: lrothman@cfa.harvard.edu; Jacquemart, D. [Harvard-Smithsonian Center for Astrophysics, Atomic and Molecular Physics Division, Cambridge, MA 02138 (United States); Barbe, A. [Universite de Reims-Champagne-Ardenne, Groupe de Spectrometrie Moleculaire et Atmospherique, 51062 Reims (France)] (and others)

2005-12-01

This paper describes the status of the 2004 edition of the HITRAN molecular spectroscopic database. The HITRAN compilation consists of several components that serve as input for radiative transfer calculation codes: individual line parameters for the microwave through visible spectra of molecules in the gas phase; absorption cross-sections for molecules having dense spectral features, i.e., spectra in which the individual lines are unresolvable; individual line parameters and absorption cross-sections for bands in the ultra-violet; refractive indices of aerosols; tables and files of general properties associated with the database; and database management software. The line-by-line portion of the database contains spectroscopic parameters for 39 molecules including many of their isotopologues. The format of the section of the database on individual line parameters of HITRAN has undergone the most extensive enhancement in almost two decades. It now lists the Einstein A-coefficients, statistical weights of the upper and lower levels of the transitions, a better system for the representation of quantum identifications, and enhanced referencing and uncertainty codes. In addition, there is a provision for making corrections to the broadening of line transitions due to line mixing.

The HITRAN 2004 molecular spectroscopic database

International Nuclear Information System (INIS)

Rothman, L.S.; Jacquemart, D.; Barbe, A.

2005-01-01

This paper describes the status of the 2004 edition of the HITRAN molecular spectroscopic database. The HITRAN compilation consists of several components that serve as input for radiative transfer calculation codes: individual line parameters for the microwave through visible spectra of molecules in the gas phase; absorption cross-sections for molecules having dense spectral features, i.e., spectra in which the individual lines are unresolvable; individual line parameters and absorption cross-sections for bands in the ultra-violet; refractive indices of aerosols; tables and files of general properties associated with the database; and database management software. The line-by-line portion of the database contains spectroscopic parameters for 39 molecules including many of their isotopologues. The format of the section of the database on individual line parameters of HITRAN has undergone the most extensive enhancement in almost two decades. It now lists the Einstein A-coefficients, statistical weights of the upper and lower levels of the transitions, a better system for the representation of quantum identifications, and enhanced referencing and uncertainty codes. In addition, there is a provision for making corrections to the broadening of line transitions due to line mixing

Database for the OECD-IAEA Paks Fuel Project

International Nuclear Information System (INIS)

Szabo, Emese; Hozer, Zoltan; Gyori, Csaba; Hegyi, Gyoergy

2010-01-01

On 10 April 2003 severe damage of fuel assemblies took place during an incident at Unit 2 of Paks Nuclear Power Plant in Hungary. The assemblies were being cleaned in a special tank below the water level of the spent fuel storage pool in order to remove crud buildup. That afternoon, the chemical cleaning of assemblies was completed and the fuel rods were being cooled by circulation of storage pool water. The first sign of fuel failure was the detection of some fission gases released from the cleaning tank during that evening. The cleaning tank cover locks were released after midnight and this operation was followed by a sudden increase in activity concentrations. The visual inspection revealed that all 30 fuel assemblies were severely damaged. The first evaluation of the event showed that the severe fuel damage happened due to inadequate coolant circulation within the cleaning tank. The damaged fuel assemblies will be removed from the cleaning tank in 2005 and will be stored in special canisters in the spent fuel storage pool of the Paks NPP. Following several discussions between expert from different countries and international organisations the OECD-IAEA Paks Fuel Project was proposed. The project is envisaged in two phases. - Phase 1 is to cover organization of visual inspection of material, preparation of database, performance of analyses and preparatory work for fuel examination. - Phase 2 is to cover the fuel transport and the hot cell examination. The first meeting of the project was held in Budapest on 30-31 January 2006. Phase 1 of the Paks Fuel Project will focus on the numerical simulation of the most important aspects of the incident. This activity will help in the reconstruction of the accidental scenario. The first step of Phase 1 was the collection of a database necessary for the code calculations. The main objective of database collection was to provide input data for calculations. For this reason the collection was focused on such data that are

Thermodynamic database for the Co-Pr system.

Science.gov (United States)

Zhou, S H; Kramer, M J; Meng, F Q; McCallum, R W; Ott, R T

2016-03-01

In this article, we describe data on (1) compositions for both as-cast and heat treated specimens were summarized in Table 1; (2) the determined enthalpy of mixing of liquid phase is listed in Table 2; (3) thermodynamic database of the Co-Pr system in TDB format for the research articled entitle Chemical partitioning for the Co-Pr system: First-principles, experiments and energetic calculations to investigate the hard magnetic phase W.

Matthew Oliver | NREL

Science.gov (United States)

used for ex situ vapor-phase upgrading or steam reforming with continuous catalyst regeneration. Get more information about NREL's Thermochemical Processes. Research Interests Integration and scale up of biomass to fuels and chemicals Affiliated Research Programs Thermochemical Process Integration, Scale-Up

Two-phase flow characteristics in BWRs

International Nuclear Information System (INIS)

Katono, Kenichi; Aoyama, Goro; Nagayoshi, Takuji; Yasuda, Kenichi; Nishida, Koji

2014-01-01

Reliable prediction of two-phase flow characteristics is important for safety and economy improvements of BWR plants. We have been developing two-phase flow measurement tools and techniques for BWR thermal hydraulic conditions, such as a 3D time-averaged X-ray CT system, an ultrasonic liquid film sensor and a wire-mesh sensor. We applied the developed items in experiments using the multi-purpose steam-water test facility known as HUSTLE, which can simulate two-phase thermal-hydraulic conditions in a BWR reactor pressure vessel, and we constructed a detailed instrumentation database. We validated a 3D two-phase flow simulator using the database and developed the reactor internal two-phase flow analysis system. (author)

A radiotracer study on the volatilization and transport effects of thermochemical reagents used in the analysis of alumina powders by slurry electrothermal vaporization inductively coupled plasma mass spectrometry

International Nuclear Information System (INIS)

Peschel, Birgit U.; Herdering, Wilhelm; Broekaert, Jose A.C.

2007-01-01

A neutron-activated Al 2 O 3 powder SRM 699 (NIST) containing the γ-radiation emitting radionuclides 51 Cr, 59 Fe, 60 Co and 65 Zn has been used to study the influence of thermochemical reagents on the volatilization and transport efficiency for these trace elements in electrothermal vaporization inductively coupled plasma mass spectrometry (ETV-ICP-MS) of Al 2 O 3 powders. From the signals in the γ-spectra for the radiotracers it has been found that less than 2% of the elements Cr, Fe, Co and Zn is left back in a graphite furnace from Al 2 O 3 powders at 2200 deg. C even without addition of a thermochemical reagent and the latter even was found to decrease the volatilization efficiencies. The recovery for the radiotracers on filters at the end of the transport tube as measured from the signals in the γ-spectra, however, was found to increase in most cases (i.e. from about 10% to more than 20%) when Pd(NO 3 ) 2 , Pd(NO 3 ) 2 + Mg(NO 3 ) 2 , PdCl 2 , IrCl 3 , SnCl 2 , AgCl, NaF, NH 4 Cl and NH 4 F were added at amounts generally used in electrothermal vaporization inductively coupled plasma mass spectrometry. However, when adding higher amounts as stoichiometrically required for a complete halogenation of the sample matrix in the case of AgCl, C 8 F 15 O 2 Na, IrCl 3 or PdCl 2 the transport efficiencies considerably decrease again. As shown in the case of NH 4 Cl the amount of thermochemical reagent used has to be optimized so as to obtain maximum analyte transport efficiencies. A comparison of the influence of NH 4 Cl on the transport efficiencies with its influence on the ETV-ICP-MS signals for Fe demonstrates the importance of transport efficiency changes for the effects of thermochemical reagents in electrothermal vaporization inductively coupled plasma mass spectrometry

New method for the determination of metolachlor and buprofezin in natural water using orthophthalaldehyde by thermochemically-induced fluorescence derivatization (TIFD).

Science.gov (United States)

Mendy, Alphonse; Thiaré, Diène Diégane; Sambou, Souleymane; Khonté, Abdourahmane; Coly, Atanasse; Gaye-Seye, Mame Diabou; Delattre, François; Tine, Alphonse

2016-05-01

Herbicide metolachlor (MET) and insecticide buprofezin (BUP) were determined in natural waters by means of a newly-developed, simple and sensitive thermochemically-induced fluorescence derivatization (TIFD) method. The TIFD approach is based on the thermolysis transformation of naturally non-fluorescent pesticides into fluorescent complex O-phthalaldehyde-thermoproduct(s) in water at 70°C for MET and at 80°C for BUP. The TIFD method was optimized with respect to the temperature, pH, complex formation kinetic and pesticides concentrations. The limit of detection (LOD=0.8ngmL(-1) for MET and 3.0ngmL(-1) for BUP) and quantification (LOQ=2.6ngmL(-1) for MET and 9.5 ngmL(-1) for BUP) values were low, and the relative standard deviation (RSD) values were small (between 1.2% and 1.8%), which indicates a good analytical sensitivity and a great repeatability of TIFD method. Recovery studies were performed on spiked well, sea and draining waters samples collected in the Niayes area by using the solid phase extraction (SPE) procedure. Satisfactory recovery results (84-118%) were obtained for the determination of MET and BUP in these natural waters. Copyright © 2016 Elsevier B.V. All rights reserved.

Operational experience running the HERA-B database system

International Nuclear Information System (INIS)

Amaral, V.; Amorim, A.; Batista, J.

2001-01-01

The HERA-B database system has been used in the commissioning period of the experiment. The authors present the expertise gathered during this period, covering also the improvements introduced and describing the different classes of problems faced in giving persistency to all non-event information. The author aims to give a global overview of the Database group activities, techniques developed and results based on the running experiment and dealing with large Data Volumes during and after the production phase

Spent nuclear fuel project cold vacuum drying facility supporting data and calculation database

International Nuclear Information System (INIS)

IRWIN, J.J.

1999-01-01

This document provides a database of supporting calculations for the Cold Vacuum Drying Facility (CVDF). The database was developed in conjunction with HNF-SD-SNF-SAR-002, ''Safety Analysis Report for the Cold Vacuum Drying Facility'', Phase 2, ''Supporting Installation of Processing Systems'' (Garvin 1998). The HNF-SD-SNF-DRD-002, 1997, ''Cold Vacuum Drying Facility Design Requirements'', Rev. 2, and the CVDF Summary Design Report. The database contains calculation report entries for all process, safety and facility systems in the CVDF, a general CVD operations sequence and the CVDF System Design Descriptions (SDDs). This database has been developed for the SNFP CVDF Engineering Organization and shall be updated, expanded, and revised in accordance with future design, construction and startup phases of the CVDF until the CVDF final ORR is approved

Contingency Contractor Optimization Phase 3 Sustainment Database Design Document - Contingency Contractor Optimization Tool - Prototype

Energy Technology Data Exchange (ETDEWEB)

Frazier, Christopher Rawls; Durfee, Justin David; Bandlow, Alisa; Gearhart, Jared Lee; Jones, Katherine A

2016-05-01

The Contingency Contractor Optimization Tool – Prototype (CCOT-P) database is used to store input and output data for the linear program model described in [1]. The database allows queries to retrieve this data and updating and inserting new input data.

Investigation on U - O - Na, Pu - O - Na and U,Pu - O - Na phase diagrams

International Nuclear Information System (INIS)

Pillon, S.

1989-03-01

The thermochemical interaction between the nuclear fuel (uranium and plutonium mixed oxides) and the sodium has been investigated and particularly the three phase diagrams: U - O - Na; Pu - O - Na; U,Pu - O - Na. High temperature neutron diffraction, microcalorimetry and powder X-ray diffraction were used for the characterization of the compounds synthetized. This study allowed to complete the knowledge about each of these diagrams and to measure some physical and thermal properties on the compounds. The limits on the modelization of the fuel-sodium interaction are discussed from the results of the UO 2 - Na reaction [fr

The UMIST database for astrochemistry 2006

Science.gov (United States)

Woodall, J.; Agúndez, M.; Markwick-Kemper, A. J.; Millar, T. J.

2007-05-01

Aims:We present a new version of the UMIST Database for Astrochemistry, the fourth such version to be released to the public. The current version contains some 4573 binary gas-phase reactions, an increase of 10% from the previous (1999) version, among 420 species, of which 23 are new to the database. Methods: Major updates have been made to ion-neutral reactions, neutral-neutral reactions, particularly at low temperature, and dissociative recombination reactions. We have included for the first time the interstellar chemistry of fluorine. In addition to the usual database, we have also released a reaction set in which the effects of dipole-enhanced ion-neutral rate coefficients are included. Results: These two reactions sets have been used in a dark cloud model and the results of these models are presented and discussed briefly. The database and associated software are available on the World Wide Web at www.udfa.net. Tables 1, 2, 4 and 9 are only available in electronic form at http://www.aanda.org

Effective Heat and Mass Transport Properties of Anisotropic Porous Ceria for Solar Thermochemical Fuel Generation

Directory of Open Access Journals (Sweden)

Sophia Haussener

2012-01-01

Full Text Available High-resolution X-ray computed tomography is employed to obtain the exact 3D geometrical configuration of porous anisotropic ceria applied in solar-driven thermochemical cycles for splitting H2O and CO2. The tomography data are, in turn, used in direct pore-level numerical simulations for determining the morphological and effective heat/mass transport properties of porous ceria, namely: porosity, specific surface area, pore size distribution, extinction coefficient, thermal conductivity, convective heat transfer coefficient, permeability, Dupuit-Forchheimer coefficient, and tortuosity and residence time distributions. Tailored foam designs for enhanced transport properties are examined by means of adjusting morphologies of artificial ceria samples composed of bimodal distributed overlapping transparent spheres in an opaque medium.

Engineering Database of Liquid Salt Thermophysical and Thermochemical Properties

Energy Technology Data Exchange (ETDEWEB)

Manohar S. Sohal; Matthias A. Ebner; Piyush Sabharwall; Phil Sharpe

2010-03-01

The purpose of this report is to provide a review of thermodynamic and thermophysical properties of candidate molten salt coolants, which may be used as a primary coolant within a nuclear reactor or heat transport medium from the Next Generation Nuclear Plant (NGNP) to a processing plant, for example, a hydrogen-production plant. Thermodynamic properties of four types of molten salts, including LiF-BeF2 (67 and 33 mol%, respectively; also known as FLiBe), LiF-NaF-KF (46.5, 11.5, and 52 mol%, also known as FLiNaK), and KCl-MgCl2 (67 and 33 mol%), and sodium nitrate-sodium nitrite-potassium nitrate (NaNO3–NaNO2–KNO3, (7-49-44 or 7-40-53 mol%) have been investigated. Limitations of existing correlations to predict density, viscosity, specific heat capacity, surface tension, and thermal conductivity, were identified. The impact of thermodynamic properties on the heat transfer, especially Nusselt number was also discussed. Stability of the molten salts with structural alloys and their compatibility with the structural alloys was studied. Nickel and alloys with dense Ni coatings are effectively inert to corrosion in fluorides but not so in chlorides. Of the chromium containing alloys, Hastelloy N appears to have the best corrosion resistance in fluorides, while Haynes 230 was most resistant in chloride. In general, alloys with increasing carbon and chromium content are increasingly subject to corrosion by the fluoride salts FLiBe and FLiNaK, due to attack and dissolution of the intergranular chromium carbide. Future research to obtain needed information was identified.

A review of thermo-chemical conversion of biomass into biofuels-focusing on gas cleaning and up-grading process steps

OpenAIRE

Brandin, Jan; Hulteberg, Christian; Kusar, Henrik

2017-01-01

It is not easy to replace fossil-based fuels in the transport sector, however, an appealing solution is to use biomass and waste for the production of renewable alternatives. Thermochemical conversion of biomass for production of synthetic transport fuels by the use of gasification is a promising way to meet these goals. One of the key challenges in using gasification systems with biomass and waste as feedstock is the upgrading of the raw gas produced in the gasifier. These materials replacin...

A theoretical study of the structure and thermochemical properties of alkali metal fluoroplumbates MPbF3.

Science.gov (United States)

Boltalin, A I; Korenev, Yu M; Sipachev, V A

2007-07-19

Molecular constants of MPbF3 (M=Li, Na, K, Rb, and Cs) were calculated theoretically at the MP2(full) and B3LYP levels with the SDD (Pb, K, Rb, and Cs) and cc-aug-pVQZ (F, Li, and Na) basis sets to determine the thermochemical characteristics of the substances. Satisfactory agreement with experiment was obtained, including the unexpected nonmonotonic dependence of substance dissociation energies on the alkali metal atomic number. The bond lengths of the theoretical CsPbF3 model were substantially elongated compared with experimental estimates, likely because of errors in both theoretical calculations and electron diffraction data processing.

Thermochemical recycling of mixture of scrap tyres and waste lubricating oil into high caloric value products

International Nuclear Information System (INIS)

Abdul-Raouf, Manar E.; Maysour, Nermine E.; Abdul-Azim, Abdul-Azim A.; Amin, Mahasen S.

2010-01-01

Scrap tyres and used lubricating oils represent together growing environmental problem because they are not biodegradable and their components cannot readily be recovered. In the present investigation, the thermochemical recycling of mixture of old tyres with waste lubricating oil by pyrolysis and the value of the products obtained have been studied. First, thermobalance experiments were carried out, studying the influence of the following variables: temperature, type of catalyst and catalyst concentration on the pyrolysis reaction of a mixture of 1/1 wt./wt. oil/tyre ratio. These thermobalance results were thoroughly investigated to study the effect of the main process variables on yields of derived products: oils, gases and solid residue.

Theoretical study of the thermochemical properties of gaseous iodine compounds: incidences in atmospheric chemistry and nuclear safety

International Nuclear Information System (INIS)

Louis, F.; Fortin, C.; Cornet, M.; Khanniche, S.; Skoviera, J.; Cantrel, L.; Cernusak, I.

2015-07-01

Thermochemical properties (ΔfH 0 298K , S 0 298K et C p = f(T)) have been determined for a series of gaseous iodine-containing compounds by using quantum chemistry tools. Different levels of theory have been employed in this work in order to predict geometrical parameters and the energetics including spin-orbit coupling. The use of the B3LYP functional for the geometry optimization followed by a calculation of the total electronic energies using the Dual Level method allows to her standard enthalpies of formation at 298 K in good agreement with the available literature data. (authors)

CERN database services for the LHC computing grid

International Nuclear Information System (INIS)

Girone, M

2008-01-01

Physics meta-data stored in relational databases play a crucial role in the Large Hadron Collider (LHC) experiments and also in the operation of the Worldwide LHC Computing Grid (WLCG) services. A large proportion of non-event data such as detector conditions, calibration, geometry and production bookkeeping relies heavily on databases. Also, the core Grid services that catalogue and distribute LHC data cannot operate without a reliable database infrastructure at CERN and elsewhere. The Physics Services and Support group at CERN provides database services for the physics community. With an installed base of several TB-sized database clusters, the service is designed to accommodate growth for data processing generated by the LHC experiments and LCG services. During the last year, the physics database services went through a major preparation phase for LHC start-up and are now fully based on Oracle clusters on Intel/Linux. Over 100 database server nodes are deployed today in some 15 clusters serving almost 2 million database sessions per week. This paper will detail the architecture currently deployed in production and the results achieved in the areas of high availability, consolidation and scalability. Service evolution plans for the LHC start-up will also be discussed

CERN database services for the LHC computing grid

Energy Technology Data Exchange (ETDEWEB)

Girone, M [CERN IT Department, CH-1211 Geneva 23 (Switzerland)], E-mail: maria.girone@cern.ch

2008-07-15

Physics meta-data stored in relational databases play a crucial role in the Large Hadron Collider (LHC) experiments and also in the operation of the Worldwide LHC Computing Grid (WLCG) services. A large proportion of non-event data such as detector conditions, calibration, geometry and production bookkeeping relies heavily on databases. Also, the core Grid services that catalogue and distribute LHC data cannot operate without a reliable database infrastructure at CERN and elsewhere. The Physics Services and Support group at CERN provides database services for the physics community. With an installed base of several TB-sized database clusters, the service is designed to accommodate growth for data processing generated by the LHC experiments and LCG services. During the last year, the physics database services went through a major preparation phase for LHC start-up and are now fully based on Oracle clusters on Intel/Linux. Over 100 database server nodes are deployed today in some 15 clusters serving almost 2 million database sessions per week. This paper will detail the architecture currently deployed in production and the results achieved in the areas of high availability, consolidation and scalability. Service evolution plans for the LHC start-up will also be discussed.

Thermochemical data acquisition - Reactor safety programme 1988-1991

International Nuclear Information System (INIS)

Ball, R.G.J.; Rand, M.H.; Cordfunke, E.H.P.; Konings, R.J.M.

1991-10-01

Thermochemical data are required for specific fission product and reactor materials compounds in order to quantify the consequences of a severe accident within a light water reactor. Approximately 40 important compounds/systems have been identified for study for which thermodynamic data did not exist or were inadequate. Work is described on the analysis of approximately half of these systems. Experimental studies have been undertaken to determine the thermodynamic quantities of the following compounds : Cs 2 MoO 4 , CsBO 2 , Cs 2 RuO 4 , Cs 2 RuO 4 , Cs 2 Mno 4 , Cs 2 CrO 4 , Cs 2 TeO 3 ,Cs 2 Te, InI, InI 3 , In 2 I 6 , In 2 Te, Cd(OH) 2 , Cd(OH) 2 , TeO(OH) 2 ,CdI 2 , Cd 2 I 4 , Cs 2 CdI 4 , CsCdI 3 , Cs 2 CdI 4 , Cs 3 PO 4 and Cd-In-Ag. Critical assessments have been made on the following systems : In-I, In-Te, Cd-I, Sr-B-O and Ba-B-O. The thermodynamic quantities of these compounds have been calculated over the temperature range from 298 to 3000 K. The adoption of these data within appropriate modelling codes will allow the fission product species and transport to be predicted with greater confidence, thus providing more accurate assessments of the consequences of severe reactor accidents

Positronium hydride in hydrogen-laden thermochemically reduced MgO single crystals

Science.gov (United States)

Pareja, R.; de La Cruz, R. M.; Pedrosa, M. A.; González, R.; Chen, Y.

1990-04-01

Thermochemical reduction of hydrogen-laden MgO single crystals at T~2400 K results in a large concentration of both hydride (H-) ions and anion vacancies (>1024 m-3). Positron-lifetime experiments of these crystals provide evidence for bound positronium hydride states also referred to as [e+-H-] or PsH states. The presence of the anion vacancies was found to inhibit the formation of these states. After thermally annealing out these vacancies, such that H- concentration remains intact, two long-lived components appear in the lifetime spectrum. Furthermore, these two components correlate with the presence of the H-ions. These results suggest the existence of bound [e+-H-] states when positrons are trapped by the H- ions, and the subsequent formation of positronium (Ps) states by the dissociation of the [e+-H-] states. From the values of the intermediate lifetime component, a value of (570+/-50) ps is obtained for the lifetime of the PsH state located in an anion vacancy in MgO. The longest lifetime component ~(1-3) ns is attributed to pick-off annihilation of ortho-Ps states.

ARTI refrigerant database

Energy Technology Data Exchange (ETDEWEB)

Calm, J.M. [Calm (James M.), Great Falls, VA (United States)

1996-04-15

The Refrigerant Database is an information system on alternative refrigerants, associated lubricants, and their use in air conditioning and refrigeration. It consolidates and facilitates access to property, compatibility, environmental, safety, application and other information. It provides corresponding information on older refrigerants, to assist manufacturers and those using alternative refrigerants, to make comparisons and determine differences. The underlying purpose is to accelerate phase out of chemical compounds of environmental concern. The database provides bibliographic citations and abstracts for publications that may be useful in research and design of air-conditioning and refrigeration equipment. The complete documents are not included, though some may be added at a later date. The database identifies sources of specific information on refrigerants. It addresses lubricants including alkylbenzene, polyalkylene glycol, polyolester, and other synthetics as well as mineral oils. It also references documents addressing compatibility of refrigerants and lubricants with metals, plastics, elastomers, motor insulation, and other materials used in refrigerant circuits. Incomplete citations or abstracts are provided for some documents. They are included to accelerate availability of the information and will be completed or replaced in future updates. Citations in this report are divided into the following topics: thermophysical properties; materials compatibility; lubricants and tribology; application data; safety; test and analysis methods; impacts; regulatory actions; substitute refrigerants; identification; absorption and adsorption; research programs; and miscellaneous documents. Information is also presented on ordering instructions for the computerized version.

Spent nuclear fuel project cold vacuum drying facility supporting data and calculation database

Energy Technology Data Exchange (ETDEWEB)

IRWIN, J.J.

1999-02-26

This document provides a database of supporting calculations for the Cold Vacuum Drying Facility (CVDF). The database was developed in conjunction with HNF-SD-SNF-SAR-002, ''Safety Analysis Report for the Cold Vacuum Drying Facility'', Phase 2, ''Supporting Installation of Processing Systems'' (Garvin 1998). The HNF-SD-SNF-DRD-002, 1997, ''Cold Vacuum Drying Facility Design Requirements'', Rev. 2, and the CVDF Summary Design Report. The database contains calculation report entries for all process, safety and facility systems in the CVDF, a general CVD operations sequence and the CVDF System Design Descriptions (SDDs). This database has been developed for the SNFP CVDF Engineering Organization and shall be updated, expanded, and revised in accordance with future design, construction and startup phases of the CVDF until the CVDF final ORR is approved.

Database Description - Yeast Interacting Proteins Database | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available List Contact us Yeast Interacting Proteins Database Database Description General information of database Database... name Yeast Interacting Proteins Database Alternative name - DOI 10.18908/lsdba.nbdc00742-000 Creator C...-ken 277-8561 Tel: +81-4-7136-3989 FAX: +81-4-7136-3979 E-mail : Database classif...s cerevisiae Taxonomy ID: 4932 Database description Information on interactions and related information obta...l Acad Sci U S A. 2001 Apr 10;98(8):4569-74. Epub 2001 Mar 13. External Links: Original website information Database

Update History of This Database - Trypanosomes Database | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available List Contact us Trypanosomes Database Update History of This Database Date Update contents 2014/05/07 The co...ntact information is corrected. The features and manner of utilization of the database are corrected. 2014/02/04 Trypanosomes Databas...e English archive site is opened. 2011/04/04 Trypanosomes Database ( http://www.tan...paku.org/tdb/ ) is opened. About This Database Database Description Download Lice...nse Update History of This Database Site Policy | Contact Us Update History of This Database - Trypanosomes Database | LSDB Archive ...

Protons in neutron-irradiated and thermochemically reduced MgO crystals doped with lithium impurities

International Nuclear Information System (INIS)

Gonzalez, R.; Pareja, R.; Chen, Y.

1992-01-01

H - (hydride) ions have been observed in lithium-doped MgO crystals which have been neutron irradiated or thermochemically reduced (TCR). Infrared-absorption measurements have been used to identify the local modes of the H - ions in these crystals. The concentration of the H - ions in the neutron-irradiated crystals is found to be far less than that found in the TCR crystals. The thermal stability of H - and oxygen vacancies in both oxidizing and reducing atmospheres are investigated. The emergence of sharp structures due to OH - ions is attributed to the displacements of substitutional Li + ions, leaving behind unperturbed OH - ions, via a mechanism of rapid radiation-induced diffusion during irradiation in a reactor. Results of neutron-irradiated MgO:Li, which had previously been oxidized at high temperature, are also presented

JDD, Inc. Database

Science.gov (United States)

Miller, David A., Jr.

2004-01-01

JDD Inc, is a maintenance and custodial contracting company whose mission is to provide their clients in the private and government sectors "quality construction, construction management and cleaning services in the most efficient and cost effective manners, (JDD, Inc. Mission Statement)." This company provides facilities support for Fort Riley in Fo,rt Riley, Kansas and the NASA John H. Glenn Research Center at Lewis Field here in Cleveland, Ohio. JDD, Inc. is owned and operated by James Vaughn, who started as painter at NASA Glenn and has been working here for the past seventeen years. This summer I worked under Devan Anderson, who is the safety manager for JDD Inc. in the Logistics and Technical Information Division at Glenn Research Center The LTID provides all transportation, secretarial, security needs and contract management of these various services for the center. As a safety manager, my mentor provides Occupational Health and Safety Occupation (OSHA) compliance to all JDD, Inc. employees and handles all other issues (Environmental Protection Agency issues, workers compensation, safety and health training) involving to job safety. My summer assignment was not as considered "groundbreaking research" like many other summer interns have done in the past, but it is just as important and beneficial to JDD, Inc. I initially created a database using a Microsoft Excel program to classify and categorize data pertaining to numerous safety training certification courses instructed by our safety manager during the course of the fiscal year. This early portion of the database consisted of only data (training field index, employees who were present at these training courses and who was absent) from the training certification courses. Once I completed this phase of the database, I decided to expand the database and add as many dimensions to it as possible. Throughout the last seven weeks, I have been compiling more data from day to day operations and been adding the

Fluoroolefins as Peptide Mimetics. 2. A Computational Study of the Conformational Ramifications of Peptide Bond Replacement

Science.gov (United States)

2010-01-01

Calculated Relative Energies and Thermochemical Corrections (in kcal/mol) for the Gas Phase Conformations of DFA ∆E ∆(E+ ZPE ) ∆E(298) ∆H(298) ∆G(298...Thermochemical Corrections (in kcal/mol) for the Aqueous Phase Conformations of DFA ∆E ∆(E+ ZPE ) ∆E(298) ∆Η(298) ∆G(298) DFA1 0.00 0.00 0.00 0.00 0.00 DFA2 0.39

The relational database system of KM3NeT

Science.gov (United States)

Albert, Arnauld; Bozza, Cristiano

2016-04-01

The KM3NeT Collaboration is building a new generation of neutrino telescopes in the Mediterranean Sea. For these telescopes, a relational database is designed and implemented for several purposes, such as the centralised management of accounts, the storage of all documentation about components and the status of the detector and information about slow control and calibration data. It also contains information useful during the construction and the data acquisition phases. Highlights in the database schema, storage and management are discussed along with design choices that have impact on performances. In most cases, the database is not accessed directly by applications, but via a custom designed Web application server.

Exponential 6 parameterization for the JCZ3-EOS

Energy Technology Data Exchange (ETDEWEB)

McGee, B.C.; Hobbs, M.L.; Baer, M.R.

1998-07-01

A database has been created for use with the Jacobs-Cowperthwaite-Zwisler-3 equation-of-state (JCZ3-EOS) to determine thermochemical equilibrium for detonation and expansion states of energetic materials. The JCZ3-EOS uses the exponential 6 intermolecular potential function to describe interactions between molecules. All product species are characterized by r*, the radius of the minimum pair potential energy, and {var_epsilon}/k, the well depth energy normalized by Boltzmann`s constant. These parameters constitute the JCZS (S for Sandia) EOS database describing 750 gases (including all the gases in the JANNAF tables), and have been obtained by using Lennard-Jones potential parameters, a corresponding states theory, pure liquid shock Hugoniot data, and fit values using an empirical EOS. This database can be used with the CHEETAH 1.40 or CHEETAH 2.0 interface to the TIGER computer program that predicts the equilibrium state of gas- and condensed-phase product species. The large JCZS-EOS database permits intermolecular potential based equilibrium calculations of energetic materials with complex elemental composition.

Tuning the Thermochemical Properties of Oxonol Dyes for Digital Versatile Disc Recordable: Reduction of Thermal Interference in High-Speed Recording

Science.gov (United States)

Morishima, Shin-Ichi; Wariishi, Koji; Mikoshiba, Hisashi; Inagaki, Yoshio; Shibata, Michihiro; Hashimoto, Hirokazu; Kubo, Hiroshi

To reduce thermal interference between adjacent recording marks on a recordable digital versatile disc, we examined the thermochemical behavior of oxonol dyes for digital versatile disc recordable (DVD-R). We found that oxonol dyes with Meldrum's acid skeleton exhibited an abrupt reduction in weight with increasing temperature without generating excessive heat that is the fundamental cause of thermal interference. DVD-R with the oxonol dyes suppressed fluctuation in the shapes of recorded marks, thereby attaining compatibility with high-speed recording.

Conceptual design study FY 1981: synfuels from fusion - using the tandem mirror reactor and a thermochemical cycle to produce hydrogen

International Nuclear Information System (INIS)

Krikorian, O.H.

1982-01-01

This report represents the second year's effort of a scoping and conceptual design study being conducted for the express purpose of evaluating the engineering potential of producing hydrogen by thermochemical cycles using a tandem mirror fusion driver. The hydrogen thus produced may then be used as a feedstock to produce fuels such as methane, methanol, or gasoline. The main objective of this second year's study has been to obtain some approximate cost figures for hydrogen production through a conceptual design study

A solar receiver-storage modular cascade based on porous ceramic structures for hybrid sensible/thermochemical solar energy storage

Science.gov (United States)

Agrafiotis, Christos; de Oliveira, Lamark; Roeb, Martin; Sattler, Christian

2016-05-01

The current state-of-the-art solar heat storage concept in air-operated Solar Tower Power Plants is to store the solar energy provided during on-sun operation as sensible heat in porous solid materials that operate as recuperators during off-sun operation. The technology is operationally simple; however its storage capacity is limited to 1.5 hours. An idea for extending this capacity is to render this storage concept from "purely" sensible to "hybrid" sensible/ thermochemical one, via coating the porous heat exchange modules with oxides of multivalent metals for which their reduction/oxidation reactions are accompanied by significant heat effects, or by manufacturing them entirely of such oxides. In this way solar heat produced during on-sun operation can be used (in addition to sensibly heating the porous solid) to power the endothermic reduction of the oxide from its state with the higher metal valence to that of the lower; the thermal energy can be entirely recovered by the reverse exothermic oxidation reaction (in addition to sensible heat) during off-sun operation. Such sensible and thermochemical storage concepts were tested on a solar-irradiated receiver- heat storage module cascade for the first time. Parametric studies performed so far involved the comparison of three different SiC-based receivers with respect to their capability of supplying solar-heated air at temperatures sufficient for the reduction of the oxides, the effect of air flow rate on the temperatures achieved within the storage module, as well as the comparison of different porous storage media made of cordierite with respect to their sensible storage capacity.

Update History of This Database - Arabidopsis Phenome Database | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available List Contact us Arabidopsis Phenome Database Update History of This Database Date Update contents 2017/02/27 Arabidopsis Phenome Data...base English archive site is opened. - Arabidopsis Phenome Database (http://jphenom...e.info/?page_id=95) is opened. About This Database Database Description Download License Update History of This Database... Site Policy | Contact Us Update History of This Database - Arabidopsis Phenome Database | LSDB Archive ...

Thermodynamic analysis of the use a chemical heat pump to link a supercritical water-cooled nuclear reactor and a thermochemical water-splitting cycle for hydrogen production

International Nuclear Information System (INIS)

Granovskii, Mikhail; Dincer, Ibrahim; Rosen, Marc A.; Pioro, Igor

2008-01-01

Increases in the power generation efficiency of nuclear power plants (NPPs) are mainly limited by the permissible temperatures in nuclear reactors and the corresponding temperatures and pressures of the coolants in reactors. Coolant parameters are limited by the corrosion rates of materials and nuclear-reactor safety constraints. The advanced construction materials for the next generation of CANDU reactors, which employ supercritical water (SCW) as a coolant and heat carrier, permit improved 'steam' parameters (outlet temperatures up to 625degC and pressures of about 25 MPa). An increase in the temperature of steam allows it to be utilized in thermochemical water splitting cycles to produce hydrogen. These methods are considered by many to be among the most efficient ways to produce hydrogen from water and to have advantages over traditional low-temperature water electrolysis. However, even lower temperature water splitting cycles (Cu-Cl, UT-3, etc.) require an intensive heat supply at temperatures higher than 550-600degC. A sufficient increase in the heat transfer from the nuclear reactor to a thermochemical water splitting cycle, without jeopardizing nuclear reactor safety, might be effectively achieved by application of a heat pump, which increases the temperature of the heat supplied by virtue of a cyclic process driven by mechanical or electrical work. Here, a high-temperature chemical heat pump, which employs the reversible catalytic methane conversion reaction, is proposed. The reaction shift from exothermic to endothermic and back is achieved by a change of the steam concentration in the reaction mixture. This heat pump, coupled with the second steam cycle of a SCW nuclear power generation plant on one side and a thermochemical water splitting cycle on the other, increases the temperature of the 'nuclear' heat and, consequently, the intensity of heat transfer into the water splitting cycle. A comparative preliminary thermodynamic analysis is conducted of

Thermochemical recycling of mixture of scrap tyres and waste lubricating oil into high caloric value products

Energy Technology Data Exchange (ETDEWEB)

Abdul-Raouf, Manar E.; Maysour, Nermine E.; Abdul-Azim, Abdul-Azim A. [Egyptian Petroleum Research Institute, Nasr City, Cairo (Egypt); Amin, Mahasen S. [Faculty of Science, Benha University, Benha (Egypt)

2010-06-15

Scrap tyres and used lubricating oils represent together growing environmental problem because they are not biodegradable and their components cannot readily be recovered. In the present investigation, the thermochemical recycling of mixture of old tyres with waste lubricating oil by pyrolysis and the value of the products obtained have been studied. First, thermobalance experiments were carried out, studying the influence of the following variables: temperature, type of catalyst and catalyst concentration on the pyrolysis reaction of a mixture of 1/1 wt./wt. oil/tyre ratio. These thermobalance results were thoroughly investigated to study the effect of the main process variables on yields of derived products: oils, gases and solid residue. (author)

Thermochemical Properties of Group IVB and VB Transition Metal Alloys with Platinum Group Metals: Acid - Stabilization.

Science.gov (United States)

Cima, Michael John

Solid-state galvanic cell measurements and oxide equilibration experiments are used to derive thermochemical quantities for a variety of acid-base stabilized alloys such as Nb-Pd, Nb-Rh, Ti-Pd, and Ti-Rh. The experiments have effectively resulted in the titration of palladium by niobium metal. The excess partial molar Gibbs energy of niobium at infinite dilution was determined to be -62 kcal/mole at 1000^circ C and the Gibbs energy of formation of {rm NbPd}_{3.55} is -42 kcal/mole. These results and those for the other systems are used to assess the importance of crystal field effects in the context of the generalized Lewis acid-base theory.

Database of Nucleon-Nucleon Scattering Cross Sections by Stochastic Simulation, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — A database of nucleon-nucleon elastic differential and total cross sections will be generated by stochastic simulation of the quantum Liouville equation in the...

Refactoring databases evolutionary database design

CERN Document Server

Ambler, Scott W

2006-01-01

Refactoring has proven its value in a wide range of development projects–helping software professionals improve system designs, maintainability, extensibility, and performance. Now, for the first time, leading agile methodologist Scott Ambler and renowned consultant Pramodkumar Sadalage introduce powerful refactoring techniques specifically designed for database systems. Ambler and Sadalage demonstrate how small changes to table structures, data, stored procedures, and triggers can significantly enhance virtually any database design–without changing semantics. You’ll learn how to evolve database schemas in step with source code–and become far more effective in projects relying on iterative, agile methodologies. This comprehensive guide and reference helps you overcome the practical obstacles to refactoring real-world databases by covering every fundamental concept underlying database refactoring. Using start-to-finish examples, the authors walk you through refactoring simple standalone databas...

Aspects of quality assurance in a thermodynamic Mg alloy database

Energy Technology Data Exchange (ETDEWEB)

Schmid-Fetzer, R.; Janz, A.; Groebner, J.; Ohno, M. [Clausthal University of Technology, Institute of Metallurgy, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany)

2005-12-01

Quality assurance is a major concern for large thermodynamic databases. Examples for standard tests on phase diagrams, thermodynamic functions or parameters will be shown that are of practical use in checking consistency and plausibility. The typical end user, applying the database to a real multicomponent material or process, will generally not have sufficient time, resources, and experience to perform the quality check himself. (Abstract Copyright [2005], Wiley Periodicals, Inc.)

Update History of This Database - SKIP Stemcell Database | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available List Contact us SKIP Stemcell Database Update History of This Database Date Update contents 2017/03/13 SKIP Stemcell Database... English archive site is opened. 2013/03/29 SKIP Stemcell Database ( https://www.skip.med.k...eio.ac.jp/SKIPSearch/top?lang=en ) is opened. About This Database Database Description Download License Update History of This Databa...se Site Policy | Contact Us Update History of This Database - SKIP Stemcell Database | LSDB Archive ...

Biomass Thermochemical Conversion Program. 1983 Annual report

Energy Technology Data Exchange (ETDEWEB)

Schiefelbein, G.F.; Stevens, D.J.; Gerber, M.A.

1984-08-01

Highlights of progress achieved in the program of thermochemical conversion of biomass into clean fuels during 1983 are summarized. Gasification research projects include: production of a medium-Btu gas without using purified oxygen at Battelle-Columbus Laboratories; high pressure (up to 500 psia) steam-oxygen gasification of biomass in a fluidized bed reactor at IGT; producing synthesis gas via catalytic gasification at PNL; indirect reactor heating methods at the Univ. of Missouri-Rolla and Texas Tech Univ.; improving the reliability, performance, and acceptability of small air-blown gasifiers at Univ. of Florida-Gainesville, Rocky Creek Farm Gasogens, and Cal Recovery Systems. Liquefaction projects include: determination of individual sequential pyrolysis mechanisms at SERI; research at SERI on a unique entrained, ablative fast pyrolysis reactor for supplying the heat fluxes required for fast pyrolysis; work at BNL on rapid pyrolysis of biomass in an atmosphere of methane to increase the yields of olefin and BTX products; research at the Georgia Inst. of Tech. on an entrained rapid pyrolysis reactor to produce higher yields of pyrolysis oil; research on an advanced concept to liquefy very concentrated biomass slurries in an integrated extruder/static mixer reactor at the Univ. of Arizona; and research at PNL on the characterization and upgrading of direct liquefaction oils including research to lower oxygen content and viscosity of the product. Combustion projects include: research on a directly fired wood combustor/gas turbine system at Aerospace Research Corp.; adaptation of Stirling engine external combustion systems to biomass fuels at United Stirling, Inc.; and theoretical modeling and experimental verification of biomass combustion behavior at JPL to increase biomass combustion efficiency and examine the effects of additives on combustion rates. 26 figures, 1 table.

Thermochemical Wastewater Valorization via Enhanced Microbial Toxicity Tolerance

Energy Technology Data Exchange (ETDEWEB)

Beckham, Gregg T [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Thelhawadigedara, Lahiru Niroshan Jayakody [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Johnson, Christopher W [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Pleitner, Brenna P [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Cleveland, Nicholas S [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Michener, William E [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Olstad-Thompson, Jessica L [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Vardon, Derek R [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Whitham, Jason M. [Oak Ridge National Laboratory; Giannone, Richard J. [Oak Ridge National Laboratory; Klingeman, Dawn M. [Oak Ridge National Laboratory; Brown, Robert C. [Iowa State University; Brown, Steven D. [Oak Ridge National Laboratory; LanzaTech, Inc.; Hettich, Robert L. [Oak Ridge National Laboratory; Guss, Adam M. [Oak Ridge National Laboratory

2018-04-17

Thermochemical (TC) biomass conversion processes such as pyrolysis and liquefaction generate considerable amounts of wastewater, which often contains highly toxic compounds that are incredibly challenging to convert via standard wastewater treatment approaches such as anaerobic digestion. These streams represent a cost for TC biorefineries, and a potential valorization opportunity, if effective conversion methods are developed. The primary challenge hindering microbial conversion of TC wastewater is toxicity. In this study, we employ a robust bacterium, Pseudomonas putida, with TC wastewater streams to demonstrate that aldehydes are the most inhibitory compounds in these streams. Proteomics, transcriptomics, and fluorescence-based immunoassays of P. putida grown in a representative wastewater stream indicate that stress results from protein damage, which we hypothesize is a primary toxicity mechanism. Constitutive overexpression of the chaperone genes, groEL, groES, and clpB, in a genome-reduced P. putida strain improves the tolerance towards multiple TC wastewater samples up to 200-fold. Moreover, the concentration ranges of TC wastewater are industrially relevant for further bioprocess development for all wastewater streams examined here, representing different TC process configurations. Furthermore, we demonstrate proof-of-concept polyhydroxyalkanoate production from the usable carbon in an exemplary TC wastewater stream. Overall, this study demonstrates that protein quality control machinery and repair mechanisms can enable substantial gains in microbial tolerance to highly toxic substrates, including heterogeneous waste streams. When coupled to other metabolic engineering advances such as expanded substrate utilization and enhanced product accumulation, this study generally enables new strategies for biological conversion of highly-toxic, organic-rich wastewater via engineered aerobic monocultures or designer consortia.

Thermo-economic evaluation and optimization of the thermo-chemical conversion of biomass into methanol

International Nuclear Information System (INIS)

Peduzzi, Emanuela; Tock, Laurence; Boissonnet, Guillaume; Maréchal, François

2013-01-01

In a carbon and resources constrained world, thermo-chemical conversion of lignocellulosic biomass into fuels and chemicals is regarded as a promising alternative to fossil resources derived products. Methanol is one potential product which can be used for the synthesis of various chemicals or as a fuel in fuel cells and internal combustion engines. This study focuses on the evaluation and optimization of the thermodynamic and economic performance of methanol production from biomass by applying process integration and optimization techniques. Results reveal the importance of the energy integration and in particular of the cogeneration of electricity for the efficient use of biomass. - Highlights: • A thermo-economic model for biomass conversion into methanol is developed. • Process integration and multi-objective optimization techniques are applied. • Results reveal the importance of energy integration for electricity co-generation

Database design and database administration for a kindergarten

OpenAIRE

Vítek, Daniel

2009-01-01

The bachelor thesis deals with creation of database design for a standard kindergarten, installation of the designed database into the database system Oracle Database 10g Express Edition and demonstration of the administration tasks in this database system. The verification of the database was proved by a developed access application.

Additivity methods for prediction of thermochemical properties. The Laidler method revisited. 2. Hydrocarbons including substituted cyclic compounds

International Nuclear Information System (INIS)

Santos, Rui C.; Leal, Joao P.; Martinho Simoes, Jose A.

2009-01-01

A revised parameterization of the extended Laidler method for predicting standard molar enthalpies of atomization and standard molar enthalpies of formation at T = 298.15 K for several families of hydrocarbons (alkanes, alkenes, alkynes, polyenes, poly-ynes, cycloalkanes, substituted cycloalkanes, cycloalkenes, substituted cycloalkenes, benzene derivatives, and bi and polyphenyls) is presented. Data for a total of 265 gas-phase and 242 liquid-phase compounds were used for the calculation of the parameters. Comparison of the experimental values with those obtained using the additive scheme led to an average absolute difference of 0.73 kJ . mol -1 for the gas-phase standard molar enthalpy of formation and 0.79 kJ . mol -1 for the liquid-phase standard molar enthalpy of formation. The database used to establish the parameters was carefully reviewed by using, whenever possible, the original publications. A worksheet to simplify the calculation of standard molar enthalpies of formation and standard molar enthalpies of atomization at T = 298.15 K based on the extended Laidler parameters defined in this paper is provided as supplementary material.

Thermochemical modeling of nuclear waste glass

International Nuclear Information System (INIS)

Spear, K.E.; Besmann, T.M.; Beahm, E.C.

1998-06-01

The development of assessed and consistent phase equilibria and thermodynamic data for major glass constituents used to incorporate high-level nuclear waste is discussed in this paper. The initial research has included the binary Na 2 O-SiO 2 , Na 2 O-Al 2 O 3 , and SiO 2 -Al 2 O 3 systems. The nuclear waste glass is assumed to be a supercooled liquid containing the constituents in the glass at temperatures of interest for nuclear waste storage. Thermodynamic data for the liquid solutions were derived from mathematical comparisons of phase diagram information and the thermodynamic data available for crystalline solid phases. An associate model is used to describe the liquid solution phases. Utilizing phase diagram information provides very stringent limits on the relative thermodynamic stabilities of all phases which exist in a given system

Database Description - Open TG-GATEs Pathological Image Database | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available List Contact us Open TG-GATEs Pathological Image Database Database Description General information of database Database... name Open TG-GATEs Pathological Image Database Alternative name - DOI 10.18908/lsdba.nbdc00954-0...iomedical Innovation 7-6-8, Saito-asagi, Ibaraki-city, Osaka 567-0085, Japan TEL:81-72-641-9826 Email: Database... classification Toxicogenomics Database Organism Taxonomy Name: Rattus norvegi... Article title: Author name(s): Journal: External Links: Original website information Database

First progress report on the Japan Endoscopy Database project.

Science.gov (United States)

Kodashima, Shinya; Tanaka, Kiyohito; Matsuda, Koji; Fujishiro, Mitsuhiro; Saito, Yutaka; Ohtsuka, Kazuo; Oda, Ichiro; Katada, Chikatoshi; Kato, Masayuki; Kida, Mitsuhiro; Kobayashi, Kiyonori; Hoteya, Shu; Horimatsu, Takahiro; Matsuda, Takahisa; Muto, Manabu; Yamamoto, Hironori; Ryozawa, Shomei; Iwakiri, Ryuichi; Kutsumi, Hiromu; Miyata, Hiroaki; Kato, Mototsugu; Haruma, Ken; Fujimoto, Kazuma; Uemura, Naomi; Kaminishi, Michio; Tajiri, Hisao

2018-01-01

The Japan Endoscopy Database (JED) Project was started to develop the world's largest endoscopic database, capture the actual performance of endoscopic practice, and standardize the terminology and fundamental items needed for a clinical and research registry. This paper presents a progress report on the first phase of this project undertaken at eight endoscopic centers in Japan. The list of data items to be collected was drafted by the MSED-J (Minimal Standard Endoscopic Database) subcommittee. These items were aggregated offline by integrating data from two endoscopic filing systems between July 2015 and December 2015. The study population included all patients who underwent esophagogastroduodenoscopy or colonoscopy at all eight centers, patients who underwent enteroscopy at five of the eight centers, and patients who underwent endoscopic retrograde cholangiopancreatography (ERCP) at four of the eight centers. Data collected in this phase included 61 070 endoscopic procedures, of which 40 475 were esophagogastroduodenoscopies, 215 were enteroscopies, 19 204 were colonoscopies, and 1176 were ERCPs. Frequencies of complications were 0.68% for esophagogastroduodenoscopy, 0% for enteroscopy, 0.43% for colonoscopy, and 13.34% for ERCP. In addition, we obtained various data including Helicobacter pylori infection status, past history of endoscopy in patients who underwent enteroscopy or colonoscopy, and degree of difficulty of ERCP, although the frequencies of reporting were sometimes low, with some items <20%. Results of the first phase suggest that the JED project can provide vast quantities of useful data about endoscopic procedures. © 2017 Japan Gastroenterological Endoscopy Society.

Degradation of materials under conditions of thermochemical cycles for hydrogen production

International Nuclear Information System (INIS)

Klimas, S.J.; Searle, H.; Stolberg, L.

2010-01-01

A capsule method has been developed and employed to measure the degradation rates of selected materials under some of the most challenging conditions relevant to the sulphur-iodine (SI) and the copper-chlorine (Cu-Cl) thermochemical cycles for hydrogen production. The materials tested so far include metals and engineering alloys, structural and functional polymers, elastomers, carbon-based materials, ceramics and glasses, and composites. A number of characterization methods have been used to detect and quantify the degradation of the diverse materials and, when feasible, establish the mode of attack. The paper details the results of this ongoing experimental investigation. The investigation currently focuses on the copper-chlorine hybrid cycle. The environment representative of the conditions in the electrolyser subsystem was approximated with an aqueous solution of hydrochloric acid (13.6 mol/kg), copper(II) chloride (1.36 mol/kg) and copper(I) chloride (1.36 mol/kg) at 160°C and 2.5 MPa (absolute). The current (tentative) recommendations for the selection of the materials required for the construction of the electrolyser subsystem of the copper-chlorine hybrid cycle, and the associated rationale, are presented and discussed. (author)

Positronium hydride in hydrogen-laden thermochemically reduced MgO single crystals

International Nuclear Information System (INIS)

Pareja, R.; la Cruz, R.M. de; Pedrosa, M.A.; Gonzalez, R.; Chen, Y.

1990-01-01

Thermochemical reduction of hydrogen-laden MgO single crystals at T∼2400 K results in a large concentration of both hydride (H - ) ions and anion vacancies (>10 24 m -3 ). Positron-lifetime experiments of these crystals provide evidence for bound positronium hydride states also referred to as [e + -H - ] or PsH states. The presence of the anion vacancies was found to inhibit the formation of these states. After thermally annealing out these vacancies, such that H - concentration remains intact, two long-lived components appear in the lifetime spectrum. Furthermore, these two components correlate with the presence of the H - ions. These results suggest the existence of bound [e + -H - ] states when positrons are trapped by the H - ions, and the subsequent formation of positronium (Ps) states by the dissociation of the [e + -H - ] states. From the values of the intermediate lifetime component, a value of (570±50) ps is obtained for the lifetime of the PsH state located in an anion vacancy in MgO. The longest lifetime component ∼(1--3) ns is attributed to pick-off annihilation of ortho-Ps states

Effect of liquid sodium thermochemical reactions with stainless steels on mechanical response

International Nuclear Information System (INIS)

Subbaraman, G.; Reifsnider, K.L.

1976-01-01

An analytical approach is presented to study the elastic response of an LMFBR fuel clad subject to strong property degradation in liquid sodium environment and internal poison pressure, at the gas plenum section of the fuel pin. The nature and analysis of the thermochemical reactions and the available experimental data are briefly reviewed. Property variations in the radial direction due to these inservice reactions are represented by a generalized, continuous function, f(r), which is introduced into the constitutive equations of stress equilibrium. By introducing an adjustable constant A into a specific form of f(r), various severities in the variation of the elastic parameters through the thickness of the clad are accommodated and particular analytical solutions are obtained for the displacement. Closed form solutions, which are available for particular values of A, are used as validity checks in computing the more general solutions. The stress-strain responses including the deviatoric stresses used in creep analyses are presented for several cases. The merits of the analytical formulation of the problem and the need to include similar approaches in fuel performance calculations are stated

Computation of Phase Equilibrium and Phase Envelopes

DEFF Research Database (Denmark)

Ritschel, Tobias Kasper Skovborg; Jørgensen, John Bagterp

formulate the involved equations in terms of the fugacity coefficients. We present expressions for the first-order derivatives. Such derivatives are necessary in computationally efficient gradient-based methods for solving the vapor-liquid equilibrium equations and for computing phase envelopes. Finally, we......In this technical report, we describe the computation of phase equilibrium and phase envelopes based on expressions for the fugacity coefficients. We derive those expressions from the residual Gibbs energy. We consider 1) ideal gases and liquids modeled with correlations from the DIPPR database...... and 2) nonideal gases and liquids modeled with cubic equations of state. Next, we derive the equilibrium conditions for an isothermal-isobaric (constant temperature, constant pressure) vapor-liquid equilibrium process (PT flash), and we present a method for the computation of phase envelopes. We...

Deliberate and Accidental Gas-Phase Alkali Doping of Chalcogenide Semiconductors: Cu(In,Ga)Se2.

Science.gov (United States)

Colombara, Diego; Berner, Ulrich; Ciccioli, Andrea; Malaquias, João C; Bertram, Tobias; Crossay, Alexandre; Schöneich, Michael; Meadows, Helene J; Regesch, David; Delsante, Simona; Gigli, Guido; Valle, Nathalie; Guillot, Jérome; El Adib, Brahime; Grysan, Patrick; Dale, Phillip J

2017-02-24

Alkali metal doping is essential to achieve highly efficient energy conversion in Cu(In,Ga)Se 2 (CIGSe) solar cells. Doping is normally achieved through solid state reactions, but recent observations of gas-phase alkali transport in the kesterite sulfide (Cu 2 ZnSnS 4 ) system (re)open the way to a novel gas-phase doping strategy. However, the current understanding of gas-phase alkali transport is very limited. This work (i) shows that CIGSe device efficiency can be improved from 2% to 8% by gas-phase sodium incorporation alone, (ii) identifies the most likely routes for gas-phase alkali transport based on mass spectrometric studies, (iii) provides thermochemical computations to rationalize the observations and (iv) critically discusses the subject literature with the aim to better understand the chemical basis of the phenomenon. These results suggest that accidental alkali metal doping occurs all the time, that a controlled vapor pressure of alkali metal could be applied during growth to dope the semiconductor, and that it may have to be accounted for during the currently used solid state doping routes. It is concluded that alkali gas-phase transport occurs through a plurality of routes and cannot be attributed to one single source.

Liquid State Thermochemical Decomposition of Neat 1,3,5,5-Tetranitrohexahydropyrimidine (DNNC) and its DNNC-d2, DNNC-d4, DNNC-d6 Structural Isotopomers: Mechanistic Entrance into the DNNC Molecule

National Research Council Canada - National Science Library

Shackelford, S. A; Menapace, J. A; Goldman, J. F

2007-01-01

... thermochemical decomposition process. Using IDSC-based KDIE comparisons with the DNNC-d2, DNNC-d4, and DNNC-d6 isotopomers, a more detailed chemical structure/mechanistic relationship emerged by entering the interior of the DNNC molecule...

PSSRdb: a relational database of polymorphic simple sequence repeats extracted from prokaryotic genomes.

Science.gov (United States)

Kumar, Pankaj; Chaitanya, Pasumarthy S; Nagarajaram, Hampapathalu A

2011-01-01

PSSRdb (Polymorphic Simple Sequence Repeats database) (http://www.cdfd.org.in/PSSRdb/) is a relational database of polymorphic simple sequence repeats (PSSRs) extracted from 85 different species of prokaryotes. Simple sequence repeats (SSRs) are the tandem repeats of nucleotide motifs of the sizes 1-6 bp and are highly polymorphic. SSR mutations in and around coding regions affect transcription and translation of genes. Such changes underpin phase variations and antigenic variations seen in some bacteria. Although SSR-mediated phase variation and antigenic variations have been well-studied in some bacteria there seems a lot of other species of prokaryotes yet to be investigated for SSR mediated adaptive and other evolutionary advantages. As a part of our on-going studies on SSR polymorphism in prokaryotes we compared the genome sequences of various strains and isolates available for 85 different species of prokaryotes and extracted a number of SSRs showing length variations and created a relational database called PSSRdb. This database gives useful information such as location of PSSRs in genomes, length variation across genomes, the regions harboring PSSRs, etc. The information provided in this database is very useful for further research and analysis of SSRs in prokaryotes.

Update History of This Database - Yeast Interacting Proteins Database | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available List Contact us Yeast Interacting Proteins Database Update History of This Database Date Update contents 201...0/03/29 Yeast Interacting Proteins Database English archive site is opened. 2000/12/4 Yeast Interacting Proteins Database...( http://itolab.cb.k.u-tokyo.ac.jp/Y2H/ ) is released. About This Database Database Description... Download License Update History of This Database Site Policy | Contact Us Update History of This Database... - Yeast Interacting Proteins Database | LSDB Archive ...

Effect of multiple-feedstock strategy on the economic and environmental performance of thermochemical ethanol production under extreme weather conditions

International Nuclear Information System (INIS)

Kou, Nannan; Zhao, Fu

2011-01-01

Current US transportation sector mainly relies on liquid hydrocarbons derived from petroleum and about 60% of the petroleum consumed is from areas where supply may be disturbed by regional instability. This has led to serious concerns on energy security and global warming. To address these issues, numerous alternative energy carriers have been proposed. Among them, second generation biofuel is one of the most promising technologies. Gasification-based thermochemical conversion will bring flexibility to both feedstock and production sides of a plant, thus presents an attractive technical route to address both the energy security and global warming concerns. In this paper, thermochemical ethanol production using multiple-feedstock (corn stover, municipal solid waste, and wood chips) is simulated using Aspen Plus and compared with the single-feedstock scenario, in terms of economic performances, life cycle greenhouse gas (GHG) emissions and survivability under extreme weather conditions. For a hypothetical facility in southwest Indiana it is found that multiple-feedstock strategy improves the net present value by 18% compared to single-feedstock strategy. This margin is increased to 57% when effects of extreme weather conditions on feedstock supply are considered. Moreover, multiple-feedstock fuel plant has no potential risk of bankruptcy during the payback period, while single-feedstock fuel plant has a 75% chance of bankruptcy. Although the multiple-feedstock strategy has 26% more GHG emission per liter of ethanol produced than the single-feedstock strategy, the trend is reversed if feedstock supply disruption is taken into account. Thus the idea of multiple-feedstock strategy is proposed to the future thermo chemical biofuel plants.

Database Description - RMOS | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available base Description General information of database Database name RMOS Alternative nam...arch Unit Shoshi Kikuchi E-mail : Database classification Plant databases - Rice Microarray Data and other Gene Expression Database...s Organism Taxonomy Name: Oryza sativa Taxonomy ID: 4530 Database description The Ric...19&lang=en Whole data download - Referenced database Rice Expression Database (RED) Rice full-length cDNA Database... (KOME) Rice Genome Integrated Map Database (INE) Rice Mutant Panel Database (Tos17) Rice Genome Annotation Database

Thermodynamic data-base for metal fluorides

Energy Technology Data Exchange (ETDEWEB)

Yoo, Jae Hyung; Lee, Byung Gik; Kang, Young Ho and others

2001-05-01

This study is aimed at collecting useful data of thermodynamic properties of various metal fluorides. Many thermodynamic data for metal fluorides are needed for the effective development, but no report of data-base was published. Accordingly, the objective of this report is to rearrange systematically the existing thermodynamic data based on metal fluorides and is to use it as basic data for the development of pyrochemical process. The physicochemical properties of various metal fluorides and metals were collected from literature and such existing data base as HSC code, TAPP code, FACT code, JANAF table, NEA data-base, CRC handbook. As major contents of the thermodynamic data-base, the physicochemical properties such as formation energy, viscosity, density, vapor pressure, etc. were collected. Especially, some phase diagrams of eutectic molten fluorides are plotted and thermodynamic data of liquid metals are also compiled. In the future, the technical report is to be used as basic data for the development of the pyrochemical process which is being carried out as a long-term nuclear R and D project.

Thermodynamic data-base for metal fluorides

International Nuclear Information System (INIS)

Yoo, Jae Hyung; Lee, Byung Gik; Kang, Young Ho and others

2001-05-01

This study is aimed at collecting useful data of thermodynamic properties of various metal fluorides. Many thermodynamic data for metal fluorides are needed for the effective development, but no report of data-base was published. Accordingly, the objective of this report is to rearrange systematically the existing thermodynamic data based on metal fluorides and is to use it as basic data for the development of pyrochemical process. The physicochemical properties of various metal fluorides and metals were collected from literature and such existing data base as HSC code, TAPP code, FACT code, JANAF table, NEA data-base, CRC handbook. As major contents of the thermodynamic data-base, the physicochemical properties such as formation energy, viscosity, density, vapor pressure, etc. were collected. Especially, some phase diagrams of eutectic molten fluorides are plotted and thermodynamic data of liquid metals are also compiled. In the future, the technical report is to be used as basic data for the development of the pyrochemical process which is being carried out as a long-term nuclear R and D project

La2CuO4+δ: Synthesis under high oxygen pressure and study of phase relations and energetics

International Nuclear Information System (INIS)

Rapp, R.P.; Mehta, A.; DiCarlo, J.; Navrotsky, A.

1994-01-01

High oxygen pressures have been achieved in a piston-cylinder apparatus using a double capsule assembly consisting of a sealed outer Au capsule, containing an oxygen source (KMnO 4 ), and an inner, open Pt capsule containing the sample. Using this technique, La 2 CuO 4 was annealed at 800 degree C, 5--25 kbar for 2--4 h. Transposed temperature drop calorimetry at 704 degree C was used to determine the enthalpy of oxidation, and weight loss measurements characterized the oxygen nonstoichiometry, δ, in La 2 CuO 4+δ , in the high-pressure, oxygen annealed samples. For samples analyzed at room temperature, x-ray diffraction measurements show that beyond δ∼0.10--0.13, additional oxygen is accommodated in a perovskite-like LaCuO 3-α phase. An analysis of the thermochemical measurements indicates that the nature of holes in La 2 CuO 4+δ could change in the range of δ∼0.03--0.06. 16,17 It is further suggested that the observed change in the thermochemical behavior in the range of δ∼0.01--0.06 could be the driving influence behind the spinodal decomposition of La 2 CuO 4+δ at low temperatures (Dabrowski et al. 10 )

A general survey of the potential and the main issues associated with the sulfur-iodine thermochemical cycle for hydrogen production using nuclear heat

International Nuclear Information System (INIS)

Vitart, Xavier; Carles, Philippe; Anzieu, Pascal

2008-01-01

The thermochemical sulfur-iodine cycle is studied by CEA with the objective of massive hydrogen production using nuclear heat at high temperature. The challenge is to acquire by the end of 2008 the necessary decision elements, based on a scientific and validated approach, to choose the most promising way to produce hydrogen using a generation IV nuclear reactor. Amongst the thermochemical cycles, the sulfur-iodine process remains a very promising solution in matter of efficiency and cost, versus its main competitor, conventional electrolysis. The sulfur-iodine cycle is a very versatile process, which allows lot of variants for each section which can be adjusted in synergy in order to optimise the whole process. The main part of CEA's program is devoted to the study of the basic processes: new thermodynamics data acquisition, optimisation of water and iodine quantity, optimisation of temperature and pressure in each unit of the flow-sheet and survey of innovative solutions (membrane separations for instance). This program also includes optimisation of a detailed flow-sheet and studies for a hydrogen production plant (design, scale, first evaluations of safety issues and technico-economic questions). This program interacts strongly with other teams, in the framework of international collaborations (Europe, USA for instance). (author)

A general survey of the potential and the main issues associated with the sulfur-iodine thermochemical cycle for hydrogen production using nuclear heat

International Nuclear Information System (INIS)

Vitart, X.; Carles, P.; Anzieu, P.

2008-01-01

The thermochemical sulfur-iodine cycle is studied by CEA with the objective of massive hydrogen production using nuclear heat at high temperature. The challenge is to acquire by the end of 2008 the necessary decision elements, based on a scientific and validated approach, to choose the most promising way to produce hydrogen using a generation IV nuclear reactor. Amongst the thermochemical cycles, the sulfur-iodine process remains a very promising solution in matter of efficiency and cost, versus its main competitor, conventional electrolysis. The sulfur-iodine cycle is a very versatile process, which allows lot of variants for each section which can be adjusted in synergy in order to optimise the whole process. The main part of CEA's program is devoted to the study of the basic processes: new thermodynamics data acquisition, optimisation of water and iodine quantity, optimisation of temperature and pressure in each unit of the flow-sheet and survey of innovative solutions (membrane separations for instance). This program also includes optimisation of a detailed flow-sheet and studies for a hydrogen production plant (design, scale, first evaluations of safety issues and technico-economic questions). This program interacts strongly with other teams, in the framework of international collaborations (Europe, USA for instance). (authors)

Thermodynamic Database for Zirconium Alloys

International Nuclear Information System (INIS)

Jerlerud Perez, Rosa

2003-05-01

For many decades zirconium alloys have been commonly used in the nuclear power industry as fuel cladding material. Besides their good corrosion resistance and acceptable mechanical properties the main reason of using these alloys is the low neutron absorption. Zirconium alloys are exposed to a very severe environment during the nuclear fission process and there is a demand for better design of this material. To meet this requirement a thermodynamic database is developed to support material designers. In this thesis some aspects about the development of a thermodynamic database for zirconium alloys are presented. A thermodynamic database represents an important facility in applying thermodynamic equilibrium calculations for a given material providing: 1) relevant information about the thermodynamic properties of the alloys e.g. enthalpies, activities, heat capacity, and 2) significant information for the manufacturing process e.g. heat treatment temperature. The basic information in the database is first the unary data, i.e. pure elements; those are taken from the compilation of the Scientific Group Thermodata Europe (SGTE) and then the binary and ternary systems. All phases present in those binary and ternary systems are described by means of the Gibbs energy dependence on composition and temperature. Many of those binary systems have been taken from published or unpublished works and others have been assessed in the present work. All the calculations have been made using Thermo C alc software and the representation of the Gibbs energy obtained by applying Calphad technique

GANSEKI: JAMSTEC Deep Seafloor Rock Sample Database Emerging to the New Phase

Science.gov (United States)

Tomiyama, T.; Ichiyama, Y.; Horikawa, H.; Sato, Y.; Soma, S.; Hanafusa, Y.

2013-12-01

Japan Agency for Marine-Earth Science and Technology (JAMSTEC) collects a lot of substantial samples as well as various geophysical data using its research vessels and submersibles. These samples and data, which are obtained by spending large amounts of human and physical resources, are precious wealth of the world scientific community. For the better use of these samples and data, it is important that they are utilized not only for initial purpose of each cruse but also for other general scientific and educational purposes of second-hand users. Based on the JAMSTEC data and sample handling policies [1], JAMSTEC has systematically stored samples and data obtained during research cruises, and provided them to domestic/foreign activities on research, education, and public relation. Being highly valued for second-hand usability, deep seafloor rock samples are one of the most important types of samples obtained by JAMSTEC, as oceanic biological samples and sediment core samples are. Rock samples can be utilized for natural history sciences and other various purposes; some of these purposes are connected to socially important issues such as earthquake mechanisms and mineral resource developments. Researchers and educators can access to JAMSTEC rock samples and associated data through 'GANSEKI [2]', the JAMSTEC Deep Seafloor Rock Sample Database. GANSEKI was established on the Internet in 2006 and its contents and functions have been continuously enriched and upgraded since then. GANSEKI currently provides 19 thousands of sample metadata, 9 thousands of collection inventory data and 18 thousands of geochemical data. Most of these samples are recovered from the North-western Pacific Ocean, although samples from other area are also included. The major update of GANSEKI held in May 2013 involved a replacement of database core system and a redesign of user interface. In the new GANSEKI, users can select samples easily and precisely using multi-index search, numerical

High performance ceramic carbon electrode-based anodes for use in the Cu-Cl thermochemical cycle for hydrogen production

Energy Technology Data Exchange (ETDEWEB)

Ranganathan, Santhanam; Easton, E. Bradley [Faculty of Science, University of Ontario Institute of Technology, 2000 Simcoe Street North, Oshawa, Ontario L1H 7K4 (Canada)

2010-02-15

A high performance ceramic carbon electrode (CCE) was fabricated by the sol-gel method to study the CuCl electrolysis in Cu-Cl thermochemical cycle. The electrochemical behavior and stability of the CCE was investigated by polarization experiments at different concentrations of CuCl/HCl system. The CCE displayed excellent anodic performance and vastly outperformed the bare carbon fiber paper (CFP) even at high concentrations of CuCl (0.5 M) and HCl (6 M), which is explained in terms of increased active area and enhanced anion transport properties. Further enhancement of activity was achieved by coating the CCE layer onto both sides of the CFP substrate. (author)

Database Description - SAHG | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available base Description General information of database Database name SAHG Alternative nam...h: Contact address Chie Motono Tel : +81-3-3599-8067 E-mail : Database classification Structure Databases - ...e databases - Protein properties Organism Taxonomy Name: Homo sapiens Taxonomy ID: 9606 Database description... Links: Original website information Database maintenance site The Molecular Profiling Research Center for D...stration Not available About This Database Database Description Download License Update History of This Database Site Policy | Contact Us Database Description - SAHG | LSDB Archive ...

Waste Tank Vapor Project: Tank vapor database development

International Nuclear Information System (INIS)

Seesing, P.R.; Birn, M.B.; Manke, K.L.

1994-09-01

The objective of the Tank Vapor Database (TVD) Development task in FY 1994 was to create a database to store, retrieve, and analyze data collected from the vapor phase of Hanford waste tanks. The data needed to be accessible over the Hanford Local Area Network to users at both Westinghouse Hanford Company (WHC) and Pacific Northwest Laboratory (PNL). The data were restricted to results published in cleared reports from the laboratories analyzing vapor samples. Emphasis was placed on ease of access and flexibility of data formatting and reporting mechanisms. Because of time and budget constraints, a Rapid Application Development strategy was adopted by the database development team. An extensive data modeling exercise was conducted to determine the scope of information contained in the database. a A SUN Sparcstation 1000 was procured as the database file server. A multi-user relational database management system, Sybase reg-sign, was chosen to provide the basic data storage and retrieval capabilities. Two packages were chosen for the user interface to the database: DataPrism reg-sign and Business Objects trademark. A prototype database was constructed to provide the Waste Tank Vapor Project's Toxicology task with summarized and detailed information presented at Vapor Conference 4 by WHC, PNL, Oak Ridge National Laboratory, and Oregon Graduate Institute. The prototype was used to develop a list of reported compounds, and the range of values for compounds reported by the analytical laboratories using different sample containers and analysis methodologies. The prototype allowed a panel of toxicology experts to identify carcinogens and compounds whose concentrations were within the reach of regulatory limits. The database and user documentation was made available for general access in September 1994

Thermochemical liquefaction characteristics of microalgae in sub- and supercritical ethanol

Energy Technology Data Exchange (ETDEWEB)

You, Qiao; Chen, Liang [College of Environmental Science and Engineering, Hunan University, Changsha (China); Key Laboratory of Environment Biology and Pollution Control, Ministry of Education, Changsha (China)

2011-01-15

Thermochemical liquefaction characteristics of Spirulina, a kind of high-protein microalgae, were investigated with the sub- and supercritical ethanol as solvent in a 1000 mL autoclave. The influences of various liquefaction parameters on the yields of products (bio-oil and residue) from the liquefaction of Spirulina were studied, such as the reaction temperature (T), the S/L ratio (R{sub 1}, solid: Spirulina, liquid: ethanol), the solvent filling ratio (R{sub 2}) and the type and dosage of catalyst. Without catalyst, the bio-oil yields were in the range of 35.4 wt.% and 45.3 wt.% depending on the changes of T, R{sub 1} and R{sub 2}. And the bio-oil yields increased generally with increasing T and R{sub 2}, while the bio-oil yields reduced with increasing R{sub 1}. The FeS catalyst was certified to be an ideal catalyst for the liquefaction of Spirulina microalgae for its advantages on promoting bio-oil production and suppressing the formation of residue. The optimal dosage of catalyst (FeS) was ranging from 5-7 wt.%. The elemental analyses and FT-IR and GC-MS measurements for the bio-oils revealed that the liquid products have much higher heating values than the crude Spirulina sample and fatty acid ethyl ester compounds were dominant in the bio-oils, irrespective of whether catalyst was used. (author)

Multi-state system in a fault tree analysis of a nuclear based thermochemical hydrogen plant

International Nuclear Information System (INIS)

Zhang, Y.

2008-01-01

Nuclear-based hydrogen generation is a promising way to supply hydrogen for this large market in the future. This thesis focuses on one of the most promising methods, a thermochemical Cu-Cl cycle, which is currently under development by UOIT, Atomic Energy of Canada Limited (AECL) and the Argonne National Laboratory (ANL). The safety issues of the Cu-Cl cycle are addressed in this thesis. An investigation of major accident scenarios shows that potential tragedies can be avoided with effective risk analysis and safety management programs. As a powerful and systematic tool, fault tree analysis (FTA) is adapted to the particular needs of the Cu-Cl system. This thesis develops a new method that combines FTA with a reliability analysis tool, multi-state system (MSS), to improve the accuracy of FTA and also improve system reliability. (author)

Database Description - PSCDB | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available abase Description General information of database Database name PSCDB Alternative n...rial Science and Technology (AIST) Takayuki Amemiya E-mail: Database classification Structure Databases - Protein structure Database...554-D558. External Links: Original website information Database maintenance site Graduate School of Informat...available URL of Web services - Need for user registration Not available About This Database Database Descri...ption Download License Update History of This Database Site Policy | Contact Us Database Description - PSCDB | LSDB Archive ...

A Study on the Korea Database Industry Promotion Act Legislation

Directory of Open Access Journals (Sweden)

Bae, Seoung-Hun

2013-09-01

Full Text Available The Database Industry Promotion Act was proposed at the National Assembly plenary session on July 26, 2012 and since then it has been in the process of enactment in consultation with all the governmental departments concerned. The recent trend of economic globalization and smart device innovation suggests a new opportunity and challenges for all industries. The database industry is also facing a new phase in an era of smart innovation. Korea is in a moment of opportunity to take an innovative approach to promoting the database industry. Korea should set up a national policy to promote the database industry for citizens, government, and research institutions, as well as enterprises. Above all, the Database Industry Promotion Act could play a great role in promoting the social infrastructure to enhance the capacity of small and medium-sized enterprises. This article discusses the background of the development of the Database Industry Promotion Act and its legislative processes in order to clarify its legal characteristics, including the meaning of the act. In addition, this article explains individual items related to the overall structure of the Database Industry Promotion Act. Finally, this article reviews the economic effects of the database industry for now and the future.

Database Description - ASTRA | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available abase Description General information of database Database name ASTRA Alternative n...tics Journal Search: Contact address Database classification Nucleotide Sequence Databases - Gene structure,...3702 Taxonomy Name: Oryza sativa Taxonomy ID: 4530 Database description The database represents classified p...(10):1211-6. External Links: Original website information Database maintenance site National Institute of Ad... for user registration Not available About This Database Database Description Dow

Capability Database of Injection Molding Process— Requirements Study for Wider Suitability and Higher Accuracy

DEFF Research Database (Denmark)

Boorla, Srinivasa Murthy; Eifler, Tobias; Jepsen, Jens Dines O.

2017-01-01

for an improved applicability of corresponding database solutions in an industrial context. A survey of database users at all phases of product value chain in the plastic industry revealed that 59% of the participating companies use their own, internally created databases, although reported to be not fully...... adequate in most cases. Essential influences are the suitability of the provided data, defined by the content such as material, tolerance types, etc. covered, as well as its accuracy, largely influenced by the updating frequency. Forming a consortium with stakeholders, linking database update to technology...

Translation from the collaborative OSM database to cartography

Science.gov (United States)

Hayat, Flora

2018-05-01

The OpenStreetMap (OSM) database includes original items very useful for geographical analysis and for creating thematic maps. Contributors record in the open database various themes regarding amenities, leisure, transports, buildings and boundaries. The Michelin mapping department develops map prototypes to test the feasibility of mapping based on OSM. To translate the OSM database structure into a database structure fitted with Michelin graphic guidelines a research project is in development. It aims at defining the right structure for the Michelin uses. The research project relies on the analysis of semantic and geometric heterogeneities in OSM data. In that order, Michelin implements methods to transform the input geographical database into a cartographic image dedicated for specific uses (routing and tourist maps). The paper focuses on the mapping tools available to produce a personalised spatial database. Based on processed data, paper and Web maps can be displayed. Two prototypes are described in this article: a vector tile web map and a mapping method to produce paper maps on a regional scale. The vector tile mapping method offers an easy navigation within the map and within graphic and thematic guide- lines. Paper maps can be partly automatically drawn. The drawing automation and data management are part of the mapping creation as well as the final hand-drawing phase. Both prototypes have been set up using the OSM technical ecosystem.

Database Description - RPD | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available ase Description General information of database Database name RPD Alternative name Rice Proteome Database...titute of Crop Science, National Agriculture and Food Research Organization Setsuko Komatsu E-mail: Database... classification Proteomics Resources Plant databases - Rice Organism Taxonomy Name: Oryza sativa Taxonomy ID: 4530 Database... description Rice Proteome Database contains information on protei...and entered in the Rice Proteome Database. The database is searchable by keyword,

Database Description - PLACE | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available abase Description General information of database Database name PLACE Alternative name A Database...Kannondai, Tsukuba, Ibaraki 305-8602, Japan National Institute of Agrobiological Sciences E-mail : Databas...e classification Plant databases Organism Taxonomy Name: Tracheophyta Taxonomy ID: 58023 Database...99, Vol.27, No.1 :297-300 External Links: Original website information Database maintenance site National In...- Need for user registration Not available About This Database Database Descripti

Database Description - JSNP | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available base Description General information of database Database name JSNP Alternative nam...n Science and Technology Agency Creator Affiliation: Contact address E-mail : Database...sapiens Taxonomy ID: 9606 Database description A database of about 197,000 polymorphisms in Japanese populat...1):605-610 External Links: Original website information Database maintenance site Institute of Medical Scien...er registration Not available About This Database Database Description Download License Update History of This Database

Database Description - RED | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available ase Description General information of database Database name RED Alternative name Rice Expression Database...enome Research Unit Shoshi Kikuchi E-mail : Database classification Plant databases - Rice Database classifi...cation Microarray, Gene Expression Organism Taxonomy Name: Oryza sativa Taxonomy ID: 4530 Database descripti... Article title: Rice Expression Database: the gateway to rice functional genomics...nt Science (2002) Dec 7 (12):563-564 External Links: Original website information Database maintenance site

ARTI refrigerant database. Quarterly report, March--May 1997

Energy Technology Data Exchange (ETDEWEB)

Calm, J.M.

1997-05-01

The Refrigerant Database is an information system on alternative refrigerants, associated lubricants, and their use in air conditioning and refrigeration. It consolidates and facilitates access to property, compatibility, environmental, safety, application and other information. It provides corresponding information an older refrigerants, to assist manufacturers and those using alternative refrigerants, to make comparisons and determine differences. The underlying purpose is to accelerate phase out of chemical compounds of environmental concern. The database provides bibliographic citations and abstracts for publications that may be useful in research and design of air-conditioning and refrigeration equipment. The complete documents are not included, though some may be added at a later date.

Database Description - ConfC | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available abase Description General information of database Database name ConfC Alternative name Database...amotsu Noguchi Tel: 042-495-8736 E-mail: Database classification Structure Database...s - Protein structure Structure Databases - Small molecules Structure Databases - Nucleic acid structure Database... services - Need for user registration - About This Database Database Description Download License Update History of This Database... Site Policy | Contact Us Database Description - ConfC | LSDB Archive ...

Lab-scale development of a high temperature aerosol particle sampling probe system for field measurements in thermochemical conversion of biomass

Energy Technology Data Exchange (ETDEWEB)

Lindskog, M.; Malik, A.; Pagels, J.; Sanati, M. [Lund Univ., Lund (Sweden). Div. of Ergonomics and Aerosol Technology

2010-07-01

Thermochemical conversion of biomass requires both combustion in an oxygen rich environment and gasification in an oxygen deficient environment. Therefore, the mass concentration of fly ash from combustion processes is dominated by inorganic compounds, and the particulate matter obtained from gasification is dominated by carbonaceous compounds. The fine fly ash particles can initiate corrosion and fouling and also increases emissions of fine particulates to the atmosphere. This study involved the design of a laboratory scale setup consisting of a high temperature sampling probe and an aerosol generation system to study the formation of fine particle from biomass gasification processes. An aerosol model system using potassium chloride (KCl) as the ash compound and Di Octyl Sebacate oil (DOS) as the volatile organic part was used to test the high temperature sampling probe. Tests conducted at 200 degrees C showed good reproducibility of the aerosol generator. The tests also demonstrated suitable dilution ratios which enabled the denuder to absorb all of the gaseous organic compounds in the set up, thus enabling measurement of only the particle phase. Condensable organic concentrations of 1-68 mg/m{sup 3} were easily handled by the high temperature sampling probe system, indicating that the denuder worked well. Additional tests will be performed using an Aerosol Mass Spectrometer (AMST) to verify that the denuder can capture all of the gaseous organic compounds also when condensed onto agglomerated soot particles. 6 refs., 1 tab., 9 figs.

Thermodynamic comparison of two processes of hydrogen production: steam methane reforming-A solar thermochemical process

International Nuclear Information System (INIS)

Gomri, Rabah; Boumaza, Mourad

2006-01-01

Hydrogen is mainly employed like primary product, for the synthesis of ammonia. The ammonia is synthesized by chemically combining hydrogen and nitrogen under pressure, in the presence of a catalyst. This ammonia is used, for the production of the nitrate fertilizers. Nowadays hydrogen gains more attention mainly because, it is regarded as a future significant fuel by much of experts. The widespread use of hydrogen as source of energy could help to reduce the concern concerning the safety of energy, the total change of climate and the quality of air. Hydrogen is presented then as an excellent alternate initially and as substitute thereafter. It can play a role even more significant than conventional energies. Indeed, it has the advantage of being nonpolluting and it can use the same means of transport as conventional energies. For Algeria, it proves of importance capital. It not only makes it possible to increase and diversify its energy reserves and its exports but also to provide for its energy needs which become increasingly significant. Although hydrogen can be produced starting from a large variety of resources using a range of various technologies, the natural gas is generally preferred and will remain in the near future the principal primary product for the manufacture of hydrogen. Currently the most effective means of production of hydrogen is the Steam Reforming of Natural Gas (SMR). This process is seen as a one of principal technologies for the production of hydrogen. The disadvantages of this process it's that it consumes a great quantity of primary energy and that it releases in the atmosphere the gases that contribute to the warming of the plane. Among the alternatives processes of hydrogen production one can quote solar thermochemical processes. In this study, an exergetic analysis of the process of hydrogen production based on Zn/ZnO redox reactions is presented. In the first part of this study, an exergetic analysis is made for a temperature of the

Database management systems understanding and applying database technology

CERN Document Server

Gorman, Michael M

1991-01-01

Database Management Systems: Understanding and Applying Database Technology focuses on the processes, methodologies, techniques, and approaches involved in database management systems (DBMSs).The book first takes a look at ANSI database standards and DBMS applications and components. Discussion focus on application components and DBMS components, implementing the dynamic relationship application, problems and benefits of dynamic relationship DBMSs, nature of a dynamic relationship application, ANSI/NDL, and DBMS standards. The manuscript then ponders on logical database, interrogation, and phy

Entropy Analysis of Solar Two-Step Thermochemical Cycles for Water and Carbon Dioxide Splitting

Directory of Open Access Journals (Sweden)

Matthias Lange

2016-01-01

Full Text Available The present study provides a thermodynamic analysis of solar thermochemical cycles for splitting of H2O or CO2. Such cycles, powered by concentrated solar energy, have the potential to produce fuels in a sustainable way. We extend a previous study on the thermodynamics of water splitting by also taking into account CO2 splitting and the influence of the solar absorption efficiency. Based on this purely thermodynamic approach, efficiency trends are discussed. The comprehensive and vivid representation in T-S diagrams provides researchers in this field with the required theoretical background to improve process development. Furthermore, results about the required entropy change in the used redox materials can be used as a guideline for material developers. The results show that CO2 splitting is advantageous at higher temperature levels, while water splitting is more feasible at lower temperature levels, as it benefits from a great entropy change during the splitting step.

The influence of gas–solid reaction kinetics in models of thermochemical heat storage under monotonic and cyclic loading

International Nuclear Information System (INIS)

Nagel, T.; Shao, H.; Roßkopf, C.; Linder, M.; Wörner, A.; Kolditz, O.

2014-01-01

Highlights: • Detailed analysis of cyclic and monotonic loading of thermochemical heat stores. • Fully coupled reactive heat and mass transport. • Reaction kinetics can be simplified in systems limited by heat transport. • Operating lines valid during monotonic and cyclic loading. • Local integral degree of conversion to capture heterogeneous material usage. - Abstract: Thermochemical reactions can be employed in heat storage devices. The choice of suitable reactive material pairs involves a thorough kinetic characterisation by, e.g., extensive thermogravimetric measurements. Before testing a material on a reactor level, simulations with models based on the Theory of Porous Media can be used to establish its suitability. The extent to which the accuracy of the kinetic model influences the results of such simulations is unknown yet fundamental to the validity of simulations based on chemical models of differing complexity. In this article we therefore compared simulation results on the reactor level based on an advanced kinetic characterisation of a calcium oxide/hydroxide system to those obtained by a simplified kinetic model. Since energy storage is often used for short term load buffering, the internal reactor behaviour is analysed under cyclic partial loading and unloading in addition to full monotonic charge/discharge operation. It was found that the predictions by both models were very similar qualitatively and quantitatively in terms of thermal power characteristics, conversion profiles, temperature output, reaction duration and pumping powers. Major differences were, however, observed for the reaction rate profiles themselves. We conclude that for systems not limited by kinetics the simplified model seems sufficient to estimate the reactor behaviour. The degree of material usage within the reactor was further shown to strongly vary under cyclic loading conditions and should be considered when designing systems for certain operating regimes

Oxygen permeation and thermo-chemical stability of oxygen separation membrane materials for the oxyfuel process

Energy Technology Data Exchange (ETDEWEB)

Ellett, Anna Judith

2009-07-01

analysis (TGA) and thermo mechanical analysis (TMA). An increase in thermal expansion and oxygen permeation associated with an increase in oxygen vacancy concentration, observed also in the TGA curves, occurs during heating. BSCF50 exhibits permeation fluxes well above those of LSCF58, PSCF58 and La{sub 2}NiO{sub 4+{delta}}, which are quite similar to each other. After exposure, no degradation of LSCF58, La{sub 2}NiO{sub 4+{delta}} and PSCF58 occurs. On the other hand BSCF50 is found to be unstable in CO{sub 2}- and/or H{sub 2}O-containing atmospheres and also to exhibit a chemical demixing. The thermo-chemical stability and the oxygen permeation performances are both crucial factors in the selection of high purity oxygen separation membranes for the oxyfuel process, thus making LSCF58, PSCF58 and La{sub 2}NiO{sub 4+{delta}} in this study the most suitable materials for this application. Serious issues arise, however, from the fact that secondary non-ion conducting oxide phases are formed in the bulk of every material, forming obstacles for oxygen ion migration, and also that a reaction with chromia occurs, preventing their use without protection. (orig.)

Improvement of the European thermodynamic database NUCLEA

Energy Technology Data Exchange (ETDEWEB)

Brissoneau, L.; Journeau, C.; Piluso, P. [CEA Cadarache, DEN, F-13108 St Paul Les Durance (France); Bakardjieva, S. [Acad Sci Czech Republic, Inst Inorgan Chem, CZ-25068 Rez (Czech Republic); Barrachin, M. [Inst Radioprotect and Surete Nucl, St Paul Les Durance (France); Bechta, S. [NITI, Aleksandrov Res Inst Technol, Sosnovyi Bor (Russian Federation); Bottomley, D. [Commiss European Communities, Joint Res Ctr, Inst Transuranium Elements, D-76125 Karlsruhe (Germany); Cheynet, B.; Fischer, E. [Thermodata, F-38400 St Martin Dheres (France); Kiselova, M. [Nucl Res Inst UJV, Rez 25068 (Czech Republic); Mezentseva, L. [Russian Acad Sci, Inst Silicate Chem, St Petersburg (Russian Federation)

2010-07-01

Modelling of corium behaviour during a severe accident requires knowledge of the phases present at equilibrium for a given corium composition, temperature and pressure. The thermodynamic database NUCLEA in combination with a Gibbs Energy minimizer is the European reference tool to achieve this goal. This database has been improved thanks to the analysis of bibliographical data and to EU-funded experiments performed within the SARNET network, PLINIUS as well as the ISTC CORPHAD and EVAN projects. To assess the uncertainty range associated with Energy Dispersive X-ray analyses, a round-robin exercise has been launched in which a UO{sub 2}-containing corium-concrete interaction sample from VULCANO has been analyzed by three European laboratories with satisfactorily small differences. (authors)

Reaction modelling of Iron Oxide Bromination in the UT-3 thermochemical cycle for Hydrogen production from water

International Nuclear Information System (INIS)

Amir-Rusli

1996-01-01

Analysis modelling of the iron oxide bromination had been carried out using experiment data from the iron oxide bromination in the UT-3 thermochemical cycle. Iron oxide in the form of pellets were made of the calcination of the mixture of iron oxide, silica, graphite and cellulose at 1473 K. Thermobalance reactor was used to study the kinetic reactions of the iron oxide bromination at a temperature of 473 K for 2 - 6 hours. The data collected from the experiments were used as input for the common models. However, none of these models could not explain the result of the experiments. A new model, a combination of two kinetic reactions : exposed particle and coated particle was created and worked successfully

Database Description - RMG | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available ase Description General information of database Database name RMG Alternative name ...raki 305-8602, Japan National Institute of Agrobiological Sciences E-mail : Database... classification Nucleotide Sequence Databases Organism Taxonomy Name: Oryza sativa Japonica Group Taxonomy ID: 39947 Database...rnal: Mol Genet Genomics (2002) 268: 434–445 External Links: Original website information Database...available URL of Web services - Need for user registration Not available About This Database Database Descri

Thermochemical Stability and Friction Properties of Soft Organosilica Networks for Solid Lubrication

Directory of Open Access Journals (Sweden)

Pablo Gonzalez Rodriguez

2018-01-01

Full Text Available In view of their possible application as high temperature solid lubricants, the tribological and thermochemical properties of several organosilica networks were investigated over a range of temperatures between 25 and 580 °C. Organosilica networks, obtained from monomers with terminal and bridging organic groups, were synthesized by a sol-gel process. The influence of carbon content, crosslink density, rotational freedom of incorporated hydrocarbon groups, and network connectivity on the high temperature friction properties of the polymer was studied for condensed materials from silicon alkoxide precursors with terminating organic groups, i.e., methyltrimethoxysilane, propyltrimethoxysilane, diisopropyldimethoxysilane, cyclohexyltrimethoxysilane, phenyltrimethoxysilane and 4-biphenylyltriethoxysilane networks, as well as precursors with organic bridging groups between Si centers, i.e., 1,4-bis(triethoxysilylbenzene and 4,4′-bis(triethoxysilyl-1,1′-biphenyl. Pin-on-disc measurements were performed using all selected solid lubricants. It was found that materials obtained from phenyltrimethoxysilane and cyclohexyltrimethoxysilane precursors showed softening above 120 °C and performed best in terms of friction reduction, reaching friction coefficients as low as 0.01. This value is lower than that of graphite films (0.050 ± 0.005, a common bench mark for solid lubricants.

Ceramic carbon electrode-based anodes for use in the copper-chlorine thermochemical cycle

International Nuclear Information System (INIS)

Ranganathan, S.; Easton, E.B.

2009-01-01

Sol-gel chemistry is becoming more popular for the synthesis of electrode materials. For example, the sol-gel reaction can be performed in the presence of a carbon black to form a ceramic carbon electrode (CCE). The resultant CCE structure contains electronically conductive carbon particle pathways that are bound together via the ceramic binder, which can also promote ion transport. Furthermore, the CCE structure has a high active surface area and is chemical and thermally robust. We have investigated CCE materials prepared using 3-aminopropyl trimethoxysilane. Electrochemical experiments (cyclic voltammetry, electrochemical impedance spectroscopy) were performed to characterize their suitability as anode electrode materials for use in the electrochemical step of the Cu-Cl thermochemical cycle. Our initial results have shown that CCE-based electrodes vastly outperform a bare carbon electrode, and thus are highly promising and cost-effective electrode material. Subsequent experiments involved the manipulation of the relative ratio of organosilane carbon precursors to gauge its impact on electrode properties and performance. An overview of the materials characterization and electrochemical measurements will be presented. (author)

Ceramic carbon electrode-based anodes for use in the copper-chlorine thermochemical cycle

Energy Technology Data Exchange (ETDEWEB)

Ranganathan, S.; Easton, E.B. [Faculty of Science, Univ. of Ontario Inst. of Technology, Oshawa, Ontario (Canada)], E-mail: ranga@uoit.ca, Brad.Easton@uoit.ca

2009-07-01

Sol-gel chemistry is becoming more popular for the synthesis of electrode materials. For example, the sol-gel reaction can be performed in the presence of a carbon black to form a ceramic carbon electrode (CCE). The resultant CCE structure contains electronically conductive carbon particle pathways that are bound together via the ceramic binder, which can also promote ion transport. Furthermore, the CCE structure has a high active surface area and is chemical and thermally robust. We have investigated CCE materials prepared using 3-aminopropyl trimethoxysilane. Electrochemical experiments (cyclic voltammetry, electrochemical impedance spectroscopy) were performed to characterize their suitability as anode electrode materials for use in the electrochemical step of the Cu-Cl thermochemical cycle. Our initial results have shown that CCE-based electrodes vastly outperform a bare carbon electrode, and thus are highly promising and cost-effective electrode material. Subsequent experiments involved the manipulation of the relative ratio of organosilane carbon precursors to gauge its impact on electrode properties and performance. An overview of the materials characterization and electrochemical measurements will be presented. (author)

Overview of current biological and thermo-chemical treatment technologies for sustainable sludge management.

Science.gov (United States)

Zhang, Linghong; Xu, Chunbao Charles; Champagne, Pascale; Mabee, Warren

2014-07-01

Sludge is a semi-solid residue produced from wastewater treatment processes. It contains biodegradable and recalcitrant organic compounds, as well as pathogens, heavy metals, and other inorganic constituents. Sludge can also be considered a source of nutrients and energy, which could be recovered using economically viable approaches. In the present paper, several commonly used sludge treatment processes including land application, composting, landfilling, anaerobic digestion, and combustion are reviewed, along with their potentials for energy and product recovery. In addition, some innovative thermo-chemical techniques in pyrolysis, gasification, liquefaction, and wet oxidation are briefly introduced. Finally, a brief summary of selected published works on the life cycle assessment of a variety of sludge treatment and end-use scenarios is presented in order to better understand the overall energy balance and environmental burdens associated with each sludge treatment pathway. In all scenarios investigated, the reuse of bioenergy and by-products has been shown to be of crucial importance in enhancing the overall energy efficiency and reducing the carbon footprint. © The Author(s) 2014.

Economics and synergies of electrolytic and thermochemical methods of environmentally benign hydrogen production

International Nuclear Information System (INIS)

Naterer, G.F.

2010-01-01

Most of the world's hydrogen (about 97%) is currently derived from fossil fuels. For reduction of greenhouse gases, improvement of urban air quality, and energy security, among other reasons, carbon-free sources of hydrogen production are crucial to hydrogen becoming a significant energy carrier. Nuclear hydrogen production is a promising carbon-free alternative for large-scale, low-cost production of hydrogen in the future. Two nuclear technologies, applied in tandem, have a promising potential to generate hydrogen economically without leading to greenhouse gas emissions: 1) electrolysis and 2) thermochemical decomposition of water. This paper will investigate their unique complementary roles and economics of producing hydrogen, from a Canadian perspective. Together they can serve a unique potential for both de-centralized hydrogen needs in periods of low-demand electricity, and centralized base-load production from a nuclear station. Hydrogen production has a significantly higher thermal efficiency, but electrolysis can take advantage of low electricity prices during off-peak hours. By effectively linking these systems, water-based production of hydrogen can become more competitive against the predominant existing technology, SMR (steam-methane reforming). (orig.)

Improvement of Surface Properties of CP-Titanium by Thermo-Chemical Treatment (TCT) Process

International Nuclear Information System (INIS)

Jeong, Hyeon-Gyeong; Hur, Bo-Young; Lee, Dong-Geun; Lee, Yong-Tai; Yaskiv, O.

2011-01-01

The thermo-chemical treatment (TCT) process was applied to achieve surface hardening of CP titanium. The following three different surface modification conditions were tested so that the best surface hardening process could be selected:(a) PVD, (b) TCT+PVD, and (c) TCT+Aging+PVD. These specimens were tested and analyzed in terms of surface roughness, wear, friction coefficient, and the gradient of hardening from the surface of the matrix. The three test conditions were all beneficial to improve the surface hardness of CP titanium. Moreover, the TCT treated specimens, that is, (b) and (c), showed significantly improved surface hardness and low friction coefficients through the thickness up to 100um. This is due to the functionally gradient hardened surface improvement by the diffused interstitial elements. The hardened surface also showed improvement in bonding between the PVD and TCT surface, and this leads to improvement in wear resistance. However, TCT after aging treatment did not show much improvement in surface properties compared to TCT only. For the best surface hardening on CP titanium, TCT+PVD has advantages in surface durability and economics.

Relational databases

CERN Document Server

Bell, D A

1986-01-01

Relational Databases explores the major advances in relational databases and provides a balanced analysis of the state of the art in relational databases. Topics covered include capture and analysis of data placement requirements; distributed relational database systems; data dependency manipulation in database schemata; and relational database support for computer graphics and computer aided design. This book is divided into three sections and begins with an overview of the theory and practice of distributed systems, using the example of INGRES from Relational Technology as illustration. The

Database Description - DGBY | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available base Description General information of database Database name DGBY Alternative name Database...EL: +81-29-838-8066 E-mail: Database classification Microarray Data and other Gene Expression Databases Orga...nism Taxonomy Name: Saccharomyces cerevisiae Taxonomy ID: 4932 Database descripti...-called phenomics). We uploaded these data on this website which is designated DGBY(Database for Gene expres...ma J, Ando A, Takagi H. Journal: Yeast. 2008 Mar;25(3):179-90. External Links: Original website information Database

Database Description - KOME | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available base Description General information of database Database name KOME Alternative nam... Sciences Plant Genome Research Unit Shoshi Kikuchi E-mail : Database classification Plant databases - Rice ...Organism Taxonomy Name: Oryza sativa Taxonomy ID: 4530 Database description Information about approximately ...Hayashizaki Y, Kikuchi S. Journal: PLoS One. 2007 Nov 28; 2(11):e1235. External Links: Original website information Database...OS) Rice mutant panel database (Tos17) A Database of Plant Cis-acting Regulatory

A review of producing hard coatings by means of duplex treatments using an electroplated coating–thermochemical treatment combination

Directory of Open Access Journals (Sweden)

Héctor Cifuentes Aya

2011-09-01

Direct deposition by physical vapour deposition (PVD, used for obtaining chromium nitride films on steel substrates, is limited by high production costs, the low thickness obtained and low resistance to corrosion due to the presence of micro pores. Some studies have combined an electroplated chromium with thermochemical treatments made in a controlled atmosphere or vacuum furnaces or by plasma. This kind of duplex treatment allows compounds such as CrxN, CrxCyN and CrxCy to be obtained from chemical and micro structural transformation of chromium with nitrogen and/or carbon, the sealing of cracks in the coating and increasing the magnitude of properties like hardness and density, improving wear and abrasion and corrosion resistance.

Databases

Directory of Open Access Journals (Sweden)

Nick Ryan

2004-01-01

Full Text Available Databases are deeply embedded in archaeology, underpinning and supporting many aspects of the subject. However, as well as providing a means for storing, retrieving and modifying data, databases themselves must be a result of a detailed analysis and design process. This article looks at this process, and shows how the characteristics of data models affect the process of database design and implementation. The impact of the Internet on the development of databases is examined, and the article concludes with a discussion of a range of issues associated with the recording and management of archaeological data.

Database Description - SSBD | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available base Description General information of database Database name SSBD Alternative nam...ss 2-2-3 Minatojima-minamimachi, Chuo-ku, Kobe 650-0047, Japan, RIKEN Quantitative Biology Center Shuichi Onami E-mail: Database... classification Other Molecular Biology Databases Database classification Dynamic databa...elegans Taxonomy ID: 6239 Taxonomy Name: Escherichia coli Taxonomy ID: 562 Database description Systems Scie...i Onami Journal: Bioinformatics/April, 2015/Volume 31, Issue 7 External Links: Original website information Database

Database Description - GETDB | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available abase Description General information of database Database name GETDB Alternative n...ame Gal4 Enhancer Trap Insertion Database DOI 10.18908/lsdba.nbdc00236-000 Creator Creator Name: Shigeo Haya... Chuo-ku, Kobe 650-0047 Tel: +81-78-306-3185 FAX: +81-78-306-3183 E-mail: Database classification Expression... Invertebrate genome database Organism Taxonomy Name: Drosophila melanogaster Taxonomy ID: 7227 Database des...riginal website information Database maintenance site Drosophila Genetic Resource

JICST Factual DatabaseJICST Chemical Substance Safety Regulation Database

Science.gov (United States)

Abe, Atsushi; Sohma, Tohru

JICST Chemical Substance Safety Regulation Database is based on the Database of Safety Laws for Chemical Compounds constructed by Japan Chemical Industry Ecology-Toxicology & Information Center (JETOC) sponsored by the Sience and Technology Agency in 1987. JICST has modified JETOC database system, added data and started the online service through JOlS-F (JICST Online Information Service-Factual database) in January 1990. JICST database comprises eighty-three laws and fourteen hundred compounds. The authors outline the database, data items, files and search commands. An example of online session is presented.

USE OF THE MODULAR HELIUM REACTOR FOR HYDROGEN PRODUCTION

International Nuclear Information System (INIS)

SCHULTZ, K.R.

2003-01-01

OAK-B135 A significant ''Hydrogen Economy'' is predicted that will reduce our dependence on petroleum imports and reduce pollution and greenhouse gas emissions. Hydrogen is an environmentally attractive fuel that has the potential to displace fossil fuels, but contemporary hydrogen production is primarily based on fossil fuels. The author has recently completed a three-year project for the US Department of Energy (DOE) whose objective was to ''define an economically feasible concept for production of hydrogen, using an advanced high-temperature nuclear reactor as the energy source''. Thermochemical water-slitting, a chemical process that accomplishes the decomposition of water into hydrogen and oxygen, met this objective. The goal of the first phase of this study was to evaluate thermochemical processes which offer the potential for efficient, cost-effective, large-scale production of hydrogen, and to select one for further detailed consideration. They selected the Sulfur-Iodine cycle. In the second phase, they reviewed all the basic reactor types for suitability to provide the high temperature heat needed by the selected thermochemical water splitting cycle and chose the helium gas-cooled reactor. In the third phase they designed the chemical flowsheet for the thermochemical process and estimated the efficiency and cost of the process and the projected cost of producing hydrogen. These results are summarized in this report

LARGE-SCALE PRODUCTION OF HYDROGEN BY NUCLEAR ENERGY FOR THE HYDROGEN ECONOMY

International Nuclear Information System (INIS)

SCHULTZ, K.R.; BROWN, L.C.; BESENBRUCH, G.E.; HAMILTON, C.J.

2003-01-01

OAK B202 LARGE-SCALE PRODUCTION OF HYDROGEN BY NUCLEAR ENERGY FOR THE HYDROGEN ECONOMY. The ''Hydrogen Economy'' will reduce petroleum imports and greenhouse gas emissions. However, current commercial hydrogen production processes use fossil fuels and releases carbon dioxide. Hydrogen produced from nuclear energy could avoid these concerns. The authors have recently completed a three-year project for the US Department of Energy whose objective was to ''define an economically feasible concept for production of hydrogen, by nuclear means, using an advanced high-temperature nuclear reactor as the energy source''. Thermochemical water-splitting, a chemical process that accomplishes the decomposition of water into hydrogen and oxygen, met this objective. The goal of the first phase of this study was to evaluate thermochemical processes which offer the potential for efficient, cost-effective, large-scale production of hydrogen and to select one for further detailed consideration. The authors selected the Sulfur-Iodine cycle, In the second phase, they reviewed all the basic reactor types for suitability to provide the high temperature heat needed by the selected thermochemical water splitting cycle and chose the helium gas-cooled reactor. In the third phase they designed the chemical flowsheet for the thermochemical process and estimated the efficiency and cost of the process and the projected cost of producing hydrogen. These results are summarized in this paper

Solidifying incongruently melting intermetallic phases as bulk single phases using the example of Al{sub 2}Cu and Q-phase in the Al-Mg-Cu-Si system

Energy Technology Data Exchange (ETDEWEB)

Loeffler, Andrea [Institute of Materials Science and Technology, Friedrich-Schiller-University, Jena (Germany); Groebner, Joachim; Hampl, Milan [Institute of Metallurgy, Clausthal University of Technology, Clausthal-Zellerfeld (Germany); Engelhardt, Hannes [Institute of Materials Science and Technology, Friedrich-Schiller-University, Jena (Germany); Schmid-Fetzer, Rainer [Institute of Metallurgy, Clausthal University of Technology, Clausthal-Zellerfeld (Germany); Rettenmayr, Markus, E-mail: M.Rettenmayr@uni-jena.de [Institute of Materials Science and Technology, Friedrich-Schiller-University, Jena (Germany)

2012-02-25

Highlights: Black-Right-Pointing-Pointer Samples consisting of pure Al{sub 2}Cu and 95% Q-phase respectively were prepared. Black-Right-Pointing-Pointer The Q-phase composition is Al{sub 17}Cu{sub 9}Mg{sub 44}Si{sub 30}, its solubility range is negligible. Black-Right-Pointing-Pointer The Q-phase peritectic temperature was determined by DSC measurements as 703 Degree-Sign C. Black-Right-Pointing-Pointer A new thermodynamic dataset for the Q-phase has been assessed. - Abstract: Plane front directional solidification experiments were carried out for preparing incongruently melting intermetallic phases in the quaternary alloy system Al-Cu-Mg-Si, particularly the binary Al{sub 2}Cu phase and the quaternary phase ('Q-phase'). By this method, bulk samples that consist of only a single phase are generated. Sample sections consisting of 100% single phase Al{sub 2}Cu and of 95% Q-phase, respectively, were obtained. The composition of the Q-phase was measured by Energy Dispersive X-ray Spectroscopy (EDX). The measured concentrations are close to the Al{sub 3}Cu{sub 2}Mg{sub 9}Si{sub 7} composition that has recently been predicted as most stable by ab initio calculations. A peritectic temperature of 703 Degree-Sign C for the reaction Q {yields} L + Mg{sub 2}Si + (Si) was determined by differential scanning calorimetry (DSC). An optimization of the Calphad database was performed considering the measured composition and peritectic temperature. For validating the optimized database, Scheil calculations were performed and compared with the experimentally determined sequence of solidifying phases.

Phase diagrams from ab-initio calculations: Re-W and Fe-B

Energy Technology Data Exchange (ETDEWEB)

Hammerschmidt, Thomas; Bialon, Arthur; Palumbo, Mauro; Fries, Suzana G.; Drautz, Ralf [ICAMS, Ruhr-Universitaet Bochum (Germany)

2011-07-01

The CALPHAD (CaLculation of Phase Diagrams) method relies on Gibbs energy databases and is of limited predictive power in cases where only limited experimental data is available for constructing the Gibbs energy databases. This is problematic for, e.g., the calculation of the phase transformation kinetics within phase field simulations that not only require the thermodynamic equilibrium data but also information on metastable phases. Such information is difficult to obtain directly from experiment but ab-initio calculations may supplement experimental databases as they comprise metastable phases and arbitrary chemical compositions. We present simulations for two prototypical systems: Re-W and Fe-B. For both systems we calculate the heat of formation for an extensive set of structures using ab-initio calculations and employ the total energies in CALPHAD in order to determine the corresponding phase diagrams. We account for the configurational entropy within the Bragg-Williams approximation and neglect the phenomenological excess-term that is commonly used in CALPHAD as well as the contribution of phonons and electronic excitations to the free energy. According to our calculations the complex intermetallic phases in Re-W are stabilized by the configurational entropy. For Fe-B, we calculate metastable and stable phase diagrams including recently predicted new stable phases.

The PEP-II/BaBar Project-Wide Database using World Wide Web and Oracle*Case

International Nuclear Information System (INIS)

Chan, A.; Crane, G.; MacGregor, I.; Meyer, S.

1995-12-01

The PEP-II/BaBar Project Database is a tool for monitoring the technical and documentation aspects of the accelerator and detector construction. It holds the PEP-II/BaBar design specifications, fabrication and installation data in one integrated system. Key pieces of the database include the machine parameter list, components fabrication and calibration data, survey and alignment data, property control, CAD drawings, publications and documentation. This central Oracle database on a UNIX server is built using Oracle*Case tools. Users at the collaborating laboratories mainly access the data using World Wide Web (WWW). The Project Database is being extended to link to legacy databases required for the operations phase

Solar Thermochemical Hydrogen Production via Terbium Oxide Based Redox Reactions

Directory of Open Access Journals (Sweden)

Rahul Bhosale

2016-01-01

Full Text Available The computational thermodynamic modeling of the terbium oxide based two-step solar thermochemical water splitting (Tb-WS cycle is reported. The 1st step of the Tb-WS cycle involves thermal reduction of TbO2 into Tb and O2, whereas the 2nd step corresponds to the production of H2 through Tb oxidation by water splitting reaction. Equilibrium compositions associated with the thermal reduction and water splitting steps were determined via HSC simulations. Influence of oxygen partial pressure in the inert gas on thermal reduction of TbO2 and effect of water splitting temperature (TL on Gibbs free energy related to the H2 production step were examined in detail. The cycle (ηcycle and solar-to-fuel energy conversion (ηsolar-to-fuel efficiency of the Tb-WS cycle were determined by performing the second-law thermodynamic analysis. Results obtained indicate that ηcycle and ηsolar-to-fuel increase with the decrease in oxygen partial pressure in the inert flushing gas and thermal reduction temperature (TH. It was also realized that the recuperation of the heat released by the water splitting reactor and quench unit further enhances the solar reactor efficiency. At TH=2280 K, by applying 60% heat recuperation, maximum ηcycle of 39.0% and ηsolar-to-fuel of 47.1% for the Tb-WS cycle can be attained.