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Sample records for heterogeneous thermochemical decomposition

  1. 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.

  2. 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.

  3. 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)

  4. Analysis of sulfur-iodine thermochemical cycle for solar hydrogen production. Part 1: decomposition of sulfuric acid

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Cunping; T-Raissi, Ali [Central Florida Univ., Florida Solar Energy Center, Cocoa, FL (United States)

    2005-05-01

    The sulfur-iodine (S-I) thermochemical water splitting cycle is one of the most studied cycles for hydrogen (H{sub 2}) production. S-I cycle consists of four sections: (I) acid production and separation and oxygen purification, (II) sulfuric acid concentration and decomposition, (III) hydroiodic acid (HI) concentration, and (IV) HI decomposition and H{sub 2} purification. Section II of the cycle is an endothermic reaction driven by the heat input from a high temperature source. Analysis of the S-I cycle in the past thirty years have been focused mostly on the utilization of nuclear power as the high temperature heat source for the sulfuric acid decomposition step. Thermodynamic as well as kinetic considerations indicate that both the extent and rate of sulfuric acid decomposition can be improved at very high temperatures (in excess of 1000 deg C) available only from solar concentrators. The beneficial effect of high temperature solar heat for decomposition of sulfuric acid in the S-I cycle is described in this paper. We used Aspen Technologies' HYSYS chemical process simulator (CPS) to develop flowsheets for sulfuric acid (H{sub 2}SO{sub 4}) decomposition that include all mass and heat balances. Based on the HYSYS analyses, two new process flowsheets were developed. These new sulfuric acid decomposition processes are simpler and more stable than previous processes and yield higher conversion efficiencies for the sulfuric acid decomposition and sulfur dioxide and oxygen formation. (Author)

  5. Catalytic performance and durability of Ni/AC for HI decomposition in sulfur–iodine thermochemical cycle for hydrogen production

    International Nuclear Information System (INIS)

    Fu, Guangshi; He, Yong; Zhang, Yanwei; Zhu, Yanqun; Wang, Zhihua; Cen, Kefa

    2016-01-01

    Highlights: • The relation between Ni content and Ni particle dispersion were disclosed. • The effect of Ni content on the catalytic activity of Ni/AC catalyst was revealed. • The optimal content of Ni for Ni/AC catalysts in HI decomposition was found. - Abstract: This work reports the Ni content effect on the Ni/AC catalytic performance in the HI decomposition reaction of the sulfur–iodine (SI) thermochemical cycle for hydrogen production and the Ni/AC catalyst durability in a long-term test. Accordingly, five catalysts with the Ni content ranging from 5% to 15% were prepared by an incipient-wetness impregnation method. The activity of all catalysts was examined under the temperature range of 573–773 K. The catalytic performance evaluation suggests that Ni content plays a significant role in the Ni dispersion, Ni particle size, and eventually the catalytic activity in HI decomposition. 12% is the optimal Ni content for Ni/AC catalysts in HI decomposition which is balanced between poor dispersion of Ni particles and increasing active center. The results of 24 h durability test, which incorporated with BET and TEM investigations of the 12%Ni/AC catalyst before and after the reaction, indicate that establishing a better Ni particle dispersion pattern and improving the stability of Ni particles on the support should be considered in the future.

  6. Scalable Domain Decomposition Preconditioners for Heterogeneous Elliptic Problems

    Directory of Open Access Journals (Sweden)

    Pierre Jolivet

    2014-01-01

    Full Text Available Domain decomposition methods are, alongside multigrid methods, one of the dominant paradigms in contemporary large-scale partial differential equation simulation. In this paper, a lightweight implementation of a theoretically and numerically scalable preconditioner is presented in the context of overlapping methods. The performance of this work is assessed by numerical simulations executed on thousands of cores, for solving various highly heterogeneous elliptic problems in both 2D and 3D with billions of degrees of freedom. Such problems arise in computational science and engineering, in solid and fluid mechanics. While focusing on overlapping domain decomposition methods might seem too restrictive, it will be shown how this work can be applied to a variety of other methods, such as non-overlapping methods and abstract deflation based preconditioners. It is also presented how multilevel preconditioners can be used to avoid communication during an iterative process such as a Krylov method.

  7. ENERGY EFFICIENCY LIMITS FOR A RECUPERATIVE BAYONET SULFURIC ACID DECOMPOSITION REACTOR FOR SULFUR CYCLE THERMOCHEMICAL HYDROGEN PRODUCTION

    Energy Technology Data Exchange (ETDEWEB)

    Gorensek, M.; Edwards, T.

    2009-06-11

    A recuperative bayonet reactor design for the high-temperature sulfuric acid decomposition step in sulfur-based thermochemical hydrogen cycles was evaluated using pinch analysis in conjunction with statistical methods. The objective was to establish the minimum energy requirement. Taking hydrogen production via alkaline electrolysis with nuclear power as the benchmark, the acid decomposition step can consume no more than 450 kJ/mol SO{sub 2} for sulfur cycles to be competitive. The lowest value of the minimum heating target, 320.9 kJ/mol SO{sub 2}, was found at the highest pressure (90 bar) and peak process temperature (900 C) considered, and at a feed concentration of 42.5 mol% H{sub 2}SO{sub 4}. This should be low enough for a practical water-splitting process, even including the additional energy required to concentrate the acid feed. Lower temperatures consistently gave higher minimum heating targets. The lowest peak process temperature that could meet the 450-kJ/mol SO{sub 2} benchmark was 750 C. If the decomposition reactor were to be heated indirectly by an advanced gas-cooled reactor heat source (50 C temperature difference between primary and secondary coolants, 25 C minimum temperature difference between the secondary coolant and the process), then sulfur cycles using this concept could be competitive with alkaline electrolysis provided the primary heat source temperature is at least 825 C. The bayonet design will not be practical if the (primary heat source) reactor outlet temperature is below 825 C.

  8. Energy and exergy analyses of a copper-chlorine thermochemical water decomposition pilot plant for hydrogen production

    International Nuclear Information System (INIS)

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

    2008-01-01

    Nuclear-based hydrogen production via thermochemical water decomposition using a copper-chlorine (Cu-Cl) cycle consists of a series of chemical reactions in which water is split into hydrogen and oxygen as the net result. This is accomplished through reactions involving intermediate copper and chlorine compounds, which are recycled. Energy and exergy analyses are reported here of a Cu-Cl pilot plant, including the relevant chemical reactions. The reference environment is taken to be at a temperature of 298.15 K and atmospheric pressure (1 atm). The chemical exergy of a substance, which is the maximum work that can be obtained from it by taking it to chemical equilibrium with the reference environment at constant temperature and pressure, is calculated with property data for the substance and the reference environment, with enthalpy and entropy values calculated using Shomate equations. The reaction heat, exergy destruction and efficiencies in each chemical reaction vary with the reaction temperature and reference-environment temperature. A parametric study with variable reaction and reference-environment temperatures is also presented. (author)

  9. Multiscale decomposition for heterogeneous land-atmosphere systems

    Science.gov (United States)

    Liu, Shaofeng; Shao, Yaping; Hintz, Michael; Lennartz-Sassinek, Sabine

    2015-02-01

    The land-atmosphere system is characterized by pronounced land surface heterogeneity and vigorous atmospheric turbulence both covering a wide range of scales. The multiscale surface heterogeneities and multiscale turbulent eddies interact nonlinearly with each other. Understanding these multiscale processes quantitatively is essential to the subgrid parameterizations for weather and climate models. In this paper, we propose a method for surface heterogeneity quantification and turbulence structure identification. The first part of the method is an orthogonal transform in the probability density function (PDF) domain, in contrast to the orthogonal wavelet transforms which are performed in the physical space. As the basis of the whole method, the orthogonal PDF transform (OPT) is used to asymptotically reconstruct the original signals by representing the signal values with multilevel approximations. The "patch" idea is then applied to these reconstructed fields in order to recognize areas at the land surface or in turbulent flows that are of the same characteristics. A patch here is a connected area with the same approximation. For each recognized patch, a length scale is then defined to build the energy spectrum. The OPT and related energy spectrum analysis, as a whole referred to as the orthogonal PDF decomposition (OPD), is applied to two-dimensional heterogeneous land surfaces and atmospheric turbulence fields for test. The results show that compared to the wavelet transforms, the OPD can reconstruct the original signal more effectively, and accordingly, its energy spectrum represents the signal's multiscale variation more accurately. The method we propose in this paper is of general nature and therefore can be of interest for problems of multiscale process description in other geophysical disciplines.

  10. Deuterium isotope effects in condensed-phase thermochemical decomposition reactions of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine

    International Nuclear Information System (INIS)

    Shackelford, S.A.; Coolidge, M.B.; Goshgarian, B.B.; Loving, B.A.; Rogers, R.N.; Janney, J.L.; Ebinger, M.H.

    1985-01-01

    The deuterium isotope effect was applied to condensed-phase thermochemical reactions of HMX and HMX-d 8 by using isothermal techniques. Dissimilar deuterium isotope effects revealed a mechanistic dependence of HMX upon different physical states which may singularly predominate in a specific type of thermal event. Solid-state HMX thermochemical decomposition produces a primary deuterium isotope effect (DIE), indicating that covalent C-H bond rupture is the rate-controlling step in this phase. An apparent inverse DIE is displayed by the mixed melt phase and can be attributed to C-H bond contraction during a weakening of molecular lattice forces as the solid HMX liquefies. The liquid-state decomposition rate appears to be controlled by ring C-N bond cleavage as evidenced by a secondary DIE and higher molecular weight products. These results reveal a dependence of the HMX decomposition process on physical state and lead to a broader mechanistic interpretation which explains the seemingly contradictory data found in current literature reviews. 33 references, 9 figures, 5 tables

  11. Thermochemical conversion of biomass in smouldering combustion across scales: The roles of heterogeneous kinetics, oxygen and transport phenomena.

    Science.gov (United States)

    Huang, Xinyan; Rein, Guillermo

    2016-05-01

    The thermochemical conversion of biomass in smouldering combustion is investigated here by combining experiments and modeling at two scales: matter (1mg) and bench (100g) scales. Emphasis is put on the effect of oxygen (0-33vol.%) and oxidation reactions because these are poorly studied in the literature in comparison to pyrolysis. The results are obtained for peat as a representative biomass for which there is high-quality experimental data published previously. Three kinetic schemes are explored, including various steps of drying, pyrolysis and oxidation. The kinetic parameters are found using the Kissinger-Genetic Algorithm method, and then implemented in a one-dimensional model of heat and mass transfer. The predictions are validated with thermogravimetric and bench-scale experiments and then analyzed to unravel the role of heterogeneous reaction. This is the first time that the influence of oxygen on biomass smouldering is explained in terms of both chemistry and transport phenomena across scales. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

  12. 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...

  13. Technical and economic aspects of thermo-chemical decomposition of biomass in the processes of transformation of it in power-consuming energy/carriers by the use of the concentrated gel of sun radiation, has been considered

    International Nuclear Information System (INIS)

    Sultanova, K.D.; Mustafayeva, R.M.; Rzayev, P.F.

    2007-01-01

    Full text: The technical and economic assessment of process of thermo-chemical decomposition of biomass in the processes of transformation of it in power-consuming energy/carriers by the use of the concentrated gel of sun radiation, has been considered

  14. Thermal decomposition of gaseous ammonium nitrate at low pressure: kinetic modeling of product formation and heterogeneous decomposition of nitric acid.

    Science.gov (United States)

    Park, J; Lin, M C

    2009-12-03

    The thermal decomposition of ammonium nitrate, NH(4)NO(3) (AN), in the gas phase has been studied at 423-56 K by pyrolysis/mass spectrometry under low-pressure conditions using a Saalfeld reactor coated with boric acid. The sublimation of NH(4)NO(3) at 423 K was proposed to produce equal amounts of NH(3) and HNO(3), followed by the decomposition reaction of HNO(3), HNO(3) + M --> OH + NO(2) + M (where M = third-body and reactor surface). The absolute yields of N(2), N(2)O, H(2)O, and NH(3), which can be unambiguously measured and quantitatively calibrated under a constant pressure at 5-6.2 torr He are kinetically modeled using the detailed [H,N,O]-mechanism established earlier for the simulation of NH(3)-NO(2) (Park, J.; Lin, M. C. Technologies and Combustion for a Clean Environment. Proc. 4th Int. Conf. 1997, 34-1, 1-5) and ADN decomposition reactions (Park, J.; Chakraborty, D.; Lin, M. C. Proc. Combust. Inst. 1998, 27, 2351-2357). Since the homogeneous decomposition reaction of HNO(3) itself was found to be too slow to account for the consumption of reactants and the formation of products, we also introduced the heterogeneous decomposition of HNO(3) in our kinetic modeling. The heterogeneous decomposition rate of HNO(3), HNO(3) + (B(2)O(3)/SiO(2)) --> OH + NO(2) + (B(2)O(3)/SiO(2)), was determined by varying its rate to match the modeled result to the measured concentrations of NH(3) and H(2)O; the rate could be represented by k(2b) = 7.91 x 10(7) exp(-12 600/T) s(-1), which appears to be consistent with those reported by Johnston and co-workers (Johnston, H. S.; Foering, L.; Tao, Y.-S.; Messerly, G. H. J. Am. Chem. Soc. 1951, 73, 2319-2321) for HNO(3) decomposition on glass reactors at higher temperatures. Notably, the concentration profiles of all species measured could be satisfactorily predicted by the existing [H,N,O]-mechanism with the heterogeneous initiation process.

  15. Thermal Decomposition of Gaseous Ammonium Nitrate at Low Pressure: Kinetic Modeling of Product Formation and Heterogeneous Decomposition of Nitric Acid

    Science.gov (United States)

    Park, J.; Lin, M. C.

    2009-10-01

    The thermal decomposition of ammonium nitrate, NH4NO3 (AN), in the gas phase has been studied at 423-56 K by pyrolysis/mass spectrometry under low-pressure conditions using a Saalfeld reactor coated with boric acid. The sublimation of NH4NO3 at 423 K was proposed to produce equal amounts of NH3 and HNO3, followed by the decomposition reaction of HNO3, HNO3 + M → OH + NO2 + M (where M = third-body and reactor surface). The absolute yields of N2, N2O, H2O, and NH3, which can be unambiguously measured and quantitatively calibrated under a constant pressure at 5-6.2 torr He are kinetically modeled using the detailed [H,N,O]-mechanism established earlier for the simulation of NH3-NO2 (Park, J.; Lin, M. C. Technologies and Combustion for a Clean Environment. Proc. 4th Int. Conf. 1997, 34-1, 1-5) and ADN decomposition reactions (Park, J.; Chakraborty, D.; Lin, M. C. Proc. Combust. Inst. 1998, 27, 2351-2357). Since the homogeneous decomposition reaction of HNO3 itself was found to be too slow to account for the consumption of reactants and the formation of products, we also introduced the heterogeneous decomposition of HNO3 in our kinetic modeling. The heterogeneous decomposition rate of HNO3, HNO3 + (B2O3/SiO2) → OH + NO2 + (B2O3/SiO2), was determined by varying its rate to match the modeled result to the measured concentrations of NH3 and H2O; the rate could be represented by k2b = 7.91 × 107 exp(-12 600/T) s-1, which appears to be consistent with those reported by Johnston and co-workers (Johnston, H. S.; Foering, L.; Tao, Y.-S.; Messerly, G. H. J. Am. Chem. Soc. 1951, 73, 2319-2321) for HNO3 decomposition on glass reactors at higher temperatures. Notably, the concentration profiles of all species measured could be satisfactorily predicted by the existing [H,N,O]-mechanism with the heterogeneous initiation process.

  16. Decomposition of heterogeneous organic matterand its long-term stabilization in soils

    Science.gov (United States)

    Sierra, Carlos A.; Harmon, Mark E.; Perakis, Steven S.

    2011-01-01

    Soil organic matter is a complex mixture of material with heterogeneous biological, physical, and chemical properties. Decomposition models represent this heterogeneity either as a set of discrete pools with different residence times or as a continuum of qualities. It is unclear though, whether these two different approaches yield comparable predictions of organic matter dynamics. Here, we compare predictions from these two different approaches and propose an intermediate approach to study organic matter decomposition based on concepts from continuous models implemented numerically. We found that the disagreement between discrete and continuous approaches can be considerable depending on the degree of nonlinearity of the model and simulation time. The two approaches can diverge substantially for predicting long-term processes in soils. Based on our alternative approach, which is a modification of the continuous quality theory, we explored the temporal patterns that emerge by treating substrate heterogeneity explicitly. The analysis suggests that the pattern of carbon mineralization over time is highly dependent on the degree and form of nonlinearity in the model, mostly expressed as differences in microbial growth and efficiency for different substrates. Moreover, short-term stabilization and destabilization mechanisms operating simultaneously result in long-term accumulation of carbon characterized by low decomposition rates, independent of the characteristics of the incoming litter. We show that representation of heterogeneity in the decomposition process can lead to substantial improvements in our understanding of carbon mineralization and its long-term stability in soils.

  17. Sulfurized limonite as material for fast decomposition of organic compounds by heterogeneous Fenton reaction

    International Nuclear Information System (INIS)

    Toda, Kei; Tanaka, Toshinori; Tsuda, Yutaka; Ban, Masahiro; Koveke, Edwin P.; Koinuma, Michio; Ohira, Shin-Ichi

    2014-01-01

    Graphical abstract: - Highlights: • Used limonite degrades organic compounds by heterogeneous Fenton reaction. • Sulfurized limonite removes methylene blue color in seconds. • Recycled limonite can be used for biogas purification and wastewater treatment. - Abstract: Rapid decomposition of wastewater contaminants using sulfurized limonite (S-limonite) was investigated. Limonite is used for desulfurization of biogases, and S-limonite is obtained from desulfurization plants as solid waste. In this work, the profitable use of S-limonite in water treatment was examined. The divalent Fe in S-limonite was expected to produce OH radicals, as Fe 2+ ions and limonite thermally treated with H 2 do. Methylene blue was used for batch-wise monitoring of the decomposition performance. The decomposition rate was fast and the methylene blue solution color disappeared in only 10 s when a small amount of H 2 O 2 was added (1 mM in the sample solution) in the presence of S-limonite. The OH radicals were formed by a heterogeneous reaction on the S-limonite surface and Fenton reaction with dissolved Fe 2+ . The decomposition of pentachlorophenol was also examined; it was successfully decomposed in batch-wise tests. The surfaces of limonite before sulfurization, S-limonite, and S-limonite after use for water treatment were performed using scanning electron microscopy and X-ray photoelectron spectroscopy. The results show that S-limonite reverted to limonite after being used for water treatment

  18. Sulfurized limonite as material for fast decomposition of organic compounds by heterogeneous Fenton reaction

    Energy Technology Data Exchange (ETDEWEB)

    Toda, Kei, E-mail: todakei@sci.kumamoto-u.ac.jp [Department of Chemistry, Kumamoto University, 2-39-1 Kurokami, Kumamoto 860-8555 (Japan); Tanaka, Toshinori; Tsuda, Yutaka; Ban, Masahiro; Koveke, Edwin P. [Department of Chemistry, Kumamoto University, 2-39-1 Kurokami, Kumamoto 860-8555 (Japan); Koinuma, Michio [Department of Chemistry and Biochemistry, Kumamoto University, 2-39-1 Kurokami, Kumamoto 860-8555 (Japan); Ohira, Shin-Ichi [Department of Chemistry, Kumamoto University, 2-39-1 Kurokami, Kumamoto 860-8555 (Japan)

    2014-08-15

    Graphical abstract: - Highlights: • Used limonite degrades organic compounds by heterogeneous Fenton reaction. • Sulfurized limonite removes methylene blue color in seconds. • Recycled limonite can be used for biogas purification and wastewater treatment. - Abstract: Rapid decomposition of wastewater contaminants using sulfurized limonite (S-limonite) was investigated. Limonite is used for desulfurization of biogases, and S-limonite is obtained from desulfurization plants as solid waste. In this work, the profitable use of S-limonite in water treatment was examined. The divalent Fe in S-limonite was expected to produce OH radicals, as Fe{sup 2+} ions and limonite thermally treated with H{sub 2} do. Methylene blue was used for batch-wise monitoring of the decomposition performance. The decomposition rate was fast and the methylene blue solution color disappeared in only 10 s when a small amount of H{sub 2}O{sub 2} was added (1 mM in the sample solution) in the presence of S-limonite. The OH radicals were formed by a heterogeneous reaction on the S-limonite surface and Fenton reaction with dissolved Fe{sup 2+}. The decomposition of pentachlorophenol was also examined; it was successfully decomposed in batch-wise tests. The surfaces of limonite before sulfurization, S-limonite, and S-limonite after use for water treatment were performed using scanning electron microscopy and X-ray photoelectron spectroscopy. The results show that S-limonite reverted to limonite after being used for water treatment.

  19. Solving radiative transfer problems in highly heterogeneous media via domain decomposition and convergence acceleration techniques

    International Nuclear Information System (INIS)

    Previti, Alberto; Furfaro, Roberto; Picca, Paolo; Ganapol, Barry D.; Mostacci, Domiziano

    2011-01-01

    This paper deals with finding accurate solutions for photon transport problems in highly heterogeneous media fastly, efficiently and with modest memory resources. We propose an extended version of the analytical discrete ordinates method, coupled with domain decomposition-derived algorithms and non-linear convergence acceleration techniques. Numerical performances are evaluated using a challenging case study available in the literature. A study of accuracy versus computational time and memory requirements is reported for transport calculations that are relevant for remote sensing applications.

  20. On the Dual-Decomposition-Based Resource and Power Allocation with Sleeping Strategy for Heterogeneous Networks

    KAUST Repository

    Alsharoa, Ahmad M.

    2015-05-01

    In this paper, the problem of radio and power resource management in long term evolution heterogeneous networks (LTE HetNets) is investigated. The goal is to minimize the total power consumption of the network while satisfying the user quality of service determined by each target data rate. We study the model where one macrocell base station is placed in the cell center, and multiple small cell base stations and femtocell access points are distributed around it. The dual decomposition technique is adopted to jointly optimize the power and carrier allocation in the downlink direction in addition to the selection of turned off small cell base stations. Our numerical results investigate the performance of the proposed scheme versus different system parameters and show an important saving in terms of total power consumption. © 2015 IEEE.

  1. Thermochemical evaluation and preparation of cesium uranates

    International Nuclear Information System (INIS)

    Takano, Masahide; Minato, Kazuo; Fukuda, Kousaku; Sato, Seichi; Ohashi, Hiroshi.

    1997-03-01

    Two kinds of cesium uranates, Cs 2 UO 4 and Cs 2 U 2 O 7 , which are predicted by thermochemical estimation to be formed in irradiated oxide fuels, were prepared from U 3 O 8 and Cs 2 CO 3 for measurements of the thermal expansions and thermal conductivities. In advance of the preparation, thermochemical calculations for the formation and decomposition of these cesium uranates were performed by Gibbs free energy minimizer. The preparation temperatures for Cs 2 UO 4 and Cs 2 U 2 O 7 were determined from the results of the thermochemical calculations. The prepared samples were analyzed by X-ray diffraction, which showed that the single phases of Cs 2 UO 4 and Cs 2 U 2 O 7 were formed. Thermogravimetry and differential thermal analysis were also performed on these samples, and the decomposition temperatures were evaluated. The experimental results were in good agreement with those of the thermochemical calculations. (author)

  2. Solid State Thermochemical Decomposition of Neat 1,3,5,5-Tetranitrohexahydropyrimidine (DNNC) and Its DNNC-d6 Perdeuterio-Labeled Analogue (PREPRINT)

    National Research Council Canada - National Science Library

    Hendrickson, Scott A; Shackleford, Scott A

    2005-01-01

    ...) at 142, 145, and 148 oC. Global rate constants and kinetic deuterium isotope effect (KDIE) data from the exothermic decomposition process suggest that homolytic C-H bond rupture, in one or both types of chemically non-equivalent methylene...

  3. Experimental investigation on the heterogeneous kinetic process of the low thermal decomposition of ammonium perchlorate particles

    Energy Technology Data Exchange (ETDEWEB)

    Longuet, Baptiste [Laboratoire Energetique Explosions et Structures Universite d' Orleans (Germany); Gillard, Philippe [Laboratoire Energetic Explosions et Structures, Universite d' Orleans, Bourges (France)

    2009-02-15

    The thermal decomposition of ammonium perchlorate has been extensively studied in the past. Nevertheless, the various results published illustrate, on the one hand, significant differences regarding the influence of different parameters on the decomposition and on the other hand, a lack of useful quantitative laws to predict the thermal behaviour of this crystal under a range of conditions (temperature, duration of exposure, presence of confinement). (Abstract Copyright [2009], Wiley Periodicals, Inc.)

  4. Carex sempervirens tussocks induce spatial heterogeneity in litter decomposition, but not in soil properties, in a subalpine grassland in the Central Alps

    Science.gov (United States)

    Fei-Hai Yu; Martin Schutz; Deborah S. Page-Dumroese; Bertil O. Krusi; Jakob Schneller; Otto Wildi; Anita C. Risch

    2011-01-01

    Tussocks of graminoids can induce spatial heterogeneity in soil properties in dry areas with discontinuous vegetation cover, but little is known about the situation in areas with continuous vegetation and no study has tested whether tussocks can induce spatial heterogeneity in litter decomposition. In a subalpine grassland in the Central Alps where vegetation cover is...

  5. Fe(III)-loaded collagen fiber as a heterogeneous catalyst for the photo-assisted decomposition of Malachite Green

    International Nuclear Information System (INIS)

    Liu Xiaohu; Tang Rui; He Qiang; Liao Xuepin; Shi Bi

    2010-01-01

    A heterogeneous catalyst for Fenton reaction was prepared by immobilizing Fe(III) onto collagen fiber and its catalytic activity for the photo-assisted decomposition of Malachite Green (MG) was investigated. The results indicated that this Fe(III)-immobilized collagen fiber (Fe-CF) can effectively catalyse the decoloration and decomposition/mineralization of MG in aqueous solution. Catalysed by Fe-CF, MG solution was completely decolorized in 30 min, while 55.0% of TOC was removed from the dye solution within 120 min in the presence of H 2 O 2 and UVA irradiation (365 nm, 10 W). Fe-CF was recycled for seven times with certain activity loss (32.6% in decoloration, 18.5% in TOC removal), and its catalytic activity can be easily recovered by re-immobilization of Fe(III). Therefore, Fe-CF could act as an efficient and cost-effective catalyst for the photo-assisted decomposition of MG, and shows potential applications in practice.

  6. 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.

  7. On the Dual-Decomposition-Based Resource and Power Allocation with Sleeping Strategy for Heterogeneous Networks

    KAUST Repository

    Alsharoa, Ahmad M.; Ghazzai, Hakim; Yaacoub, Elias; Alouini, Mohamed-Slim

    2015-01-01

    In this paper, the problem of radio and power resource management in long term evolution heterogeneous networks (LTE HetNets) is investigated. The goal is to minimize the total power consumption of the network while satisfying the user quality

  8. Thermochemical evaluation and preparation of cesium uranates

    Energy Technology Data Exchange (ETDEWEB)

    Takano, Masahide; Minato, Kazuo; Fukuda, Kousaku [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Sato, Seichi; Ohashi, Hiroshi

    1997-03-01

    Two kinds of cesium uranates, Cs{sub 2}UO{sub 4} and Cs{sub 2}U{sub 2}O{sub 7}, which are predicted by thermochemical estimation to be formed in irradiated oxide fuels, were prepared from U{sub 3}O{sub 8} and Cs{sub 2}CO{sub 3} for measurements of the thermal expansions and thermal conductivities. In advance of the preparation, thermochemical calculations for the formation and decomposition of these cesium uranates were performed by Gibbs free energy minimizer. The preparation temperatures for Cs{sub 2}UO{sub 4} and Cs{sub 2}U{sub 2}O{sub 7} were determined from the results of the thermochemical calculations. The prepared samples were analyzed by X-ray diffraction, which showed that the single phases of Cs{sub 2}UO{sub 4} and Cs{sub 2}U{sub 2}O{sub 7} were formed. Thermogravimetry and differential thermal analysis were also performed on these samples, and the decomposition temperatures were evaluated. The experimental results were in good agreement with those of the thermochemical calculations. (author)

  9. Automated measurement of heterogeneity in CT images of healthy and diseased rat lungs using variogram analysis of an octree decomposition

    International Nuclear Information System (INIS)

    Jacob, Richard E; Carson, James P

    2014-01-01

    Assessing heterogeneity in lung images can be an important diagnosis tool. We present a novel and objective method for assessing lung damage in a rat model of emphysema. We combined a three-dimensional (3D) computer graphics method–octree decomposition–with a geostatistics-based approach for assessing spatial relationships–the variogram–to evaluate disease in 3D computed tomography (CT) image volumes. Male, Sprague-Dawley rats were dosed intratracheally with saline (control), or with elastase dissolved in saline to either the whole lung (for mild, global disease) or a single lobe (for severe, local disease). Gated 3D micro-CT images were acquired on the lungs of all rats at end expiration. Images were masked, and octree decomposition was performed on the images to reduce the lungs to homogeneous blocks of 2 × 2 × 2, 4 × 4 × 4, and 8 × 8 × 8 voxels. To focus on lung parenchyma, small blocks were ignored because they primarily defined boundaries and vascular features, and the spatial variance between all pairs of the 8 × 8 × 8 blocks was calculated as the square of the difference of signal intensity. Variograms–graphs of distance vs. variance–were constructed, and results of a least-squares-fit were compared. The robustness of the approach was tested on images prepared with various filtering protocols. Statistical assessment of the similarity of the three control rats was made with a Kruskal-Wallis rank sum test. A Mann-Whitney-Wilcoxon rank sum test was used to measure statistical distinction between individuals. For comparison with the variogram results, the coefficient of variation and the emphysema index were also calculated for all rats. Variogram analysis showed that the control rats were statistically indistinct (p = 0.12), but there were significant differences between control, mild global disease, and severe local disease groups (p < 0.0001). A heterogeneity index was calculated to describe the difference of an individual variogram from

  10. 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...

  11. Heterogeneous Catalysis for Thermochemical Conversion Publications |

    Science.gov (United States)

    , Angewandte Chemie International Edition Characterization of upgraded fast pyrolysis oak oil distillate thermometer, the middle a condenser, and the right a syringe with liquid. There are organisms in the flask Illustration showing an image of a tree on the far left with an arrow leading right labeled Enlarge image

  12. 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 (Preprint)

    National Research Council Canada - National Science Library

    Shackelford, S. A; Menapace, J. A; Goldman, J. F

    2007-01-01

    ... 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...

  13. 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

  14. 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.)

  15. 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)

  16. The role of pH in the decomposition of organic micropollutants during the heterogeneous photocatalysis process

    Directory of Open Access Journals (Sweden)

    Kudlek Edyta

    2017-01-01

    Full Text Available The study investigated that the change in the pH ranged from 5 to 7 affects the adsorption degree of selected organic micropollutants such as: polycyclic aromatic hydrocarbons (anthracene, benzo[a]pyrene, pharmaceutical compounds (diclofenac and industrial additives (octylphenol and pentachlorophenol on the photocatalyst surface (100 mg TiO2/dm3. For example, in suspension of pH 5 a 12% reduction in the concentration of octylphenol was noted, while in the suspension of pH 7 the concentration of this compound was reduced by 64%. In the case of anthracene an inverse relationship was observed. The concentration of this micropollutant decreased by 94% for pH 5 and only by 61% for pH 7 suspension. With the commencement of UV irradiation of reaction mixtures a gradual increase in the concentration of micropollutants reduction in aqueous solutions was observed. This indicates the decomposition of compounds as a result of their reaction with highly reactive OH• radicals or other reactive oxygen species generated during the process. For reaction mixtures of pH 7, already in the first 15 minutes, higher degrees of removal of micropollutants ware observed compared to suspension of pH 6. The obtained micropollutants removal degrees exceeded 91% for diclofenac, octylphenol, pentachlorophenol and amounted to 100% for anthracene and benzo(apyrene.

  17. 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)

  18. The application of amplicon length heterogeneity PCR (LH-PCR) for monitoring the dynamics of soil microbial communities associated with cadaver decomposition.

    Science.gov (United States)

    Moreno, Lilliana I; Mills, DeEtta; Fetscher, Jill; John-Williams, Krista; Meadows-Jantz, Lee; McCord, Bruce

    2011-03-01

    The placement of cadavers in shallow, clandestine graves may alter the microbial and geochemical composition of the underlying and adjacent soils. Using amplicon length heterogeneity-PCR (LH-PCR) the microbial community changes in these soils can be assessed. In this investigation, nine different grave sites were examined over a period of 16weeks. The results indicated that measurable changes occurred in the soil bacterial community during the decomposition process. In this study, amplicons corresponding to anaerobic bacteria, not indigenous to the soil, were shown to produce differences between grave sites and control soils. Among the bacteria linked to these amplicons are those that are most often part of the commensal flora of the intestines, mouth and skin. In addition, over the 16week sampling interval, the level of indicator organisms (i.e., nitrogen fixing bacteria) dropped as the body decomposed and after four weeks of environmental exposure they began to increase again; thus differences in the abundance of nitrogen fixing bacteria were also found to contribute to the variation between controls and grave soils. These results were verified using primers that specifically targeted the nifH gene coding for nitrogenase reductase. LH-PCR provides a fast, robust and reproducible method to measure microbial changes in soil and could be used to determine potential cadaveric contact in a given area. The results obtained with this method could ultimately provide leads to investigators in criminal or missing person scenarios and allow for further analysis using human specific DNA assays to establish the identity of the buried body. Copyright © 2010 Elsevier B.V. All rights reserved.

  19. 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)

  20. Development of new heterogeneous catalysts for the decomposition of methanol into hydrogen and carbon monoxide applying high throughput methods; Entwicklung neuer heterogener Katalysatoren zur Spaltung von Methanol in Wasserstoff und Kohlenmonoxid mittels Hochdurchsatz-Methoden

    Energy Technology Data Exchange (ETDEWEB)

    Weiss, Torsten

    2008-07-11

    The topic of this thesis has been the development of new heterogeneous catalysts for the decomposition of methanol into hydrogen and carbon monoxide. As an important constraint here, the content of noble metals of the catalysts should be as low as possible. High-throughput-methods were applied in some of the syntheses and experiments to accelerate the development, as, for example, the use of liquid based sol-gel syntheses and the examination of catalyst libraries by spatial resolution gas chromatography. This screening technique allowed to test up to 207 different substances during one single experiment. Then, different combinatorial strategies were applied. First, these methods led to a highly active and stable catalyst in the ternary system of Cu-Ni-Zn, which showed high conversion and selectivity comparable to an industrial reference catalyst. Its activity during an 18 hour long term run was constant in contrast to the reference. Second, an additional approach starting from a broader variety of elements led to a Ce- Ru- and to a Cr-Ru-catalyst. Both of them were highly active in short term experiments, but lost their outstanding performances during long term runs. (orig.) [German] Die vorliegende Arbeit befasste sich mit der Entwicklung neuer heterogener Katalysatoren fuer die Spaltung von Methanol zu Wasserstoff und Kohlenmonoxid, die einen moeglichst geringen Gehalt an Edelmetallen aufweisen sollten. Um diesen Prozess zu beschleunigen, wurden in einem Teil der Synthesen und Experimente Hochdurchsatzmethoden verwendet. Neben der Roboter gestuetzten Sol-Gel-Synthese umfasste dies die Untersuchung von Katalysatorbibliotheken mittels ortsaufgeloester Gaschromatographie, die es ermoeglichte, in einem Experiment bis zu 207 verschiedene Substanzen auf ihre katalytische Aktivitaet zu testen. Unter Anwendung verschiedener kombinatorischer Strategien wurde zunaechst ein sehr aktiver und stabiler Katalysator im ternaeren Cu-Ni-Zn-System entdeckt. Neben Umsaetzen und

  1. Thermochemical data for reactor materials

    International Nuclear Information System (INIS)

    Ronchi, C.; Turrini, F.

    1990-01-01

    This report describes a computer database of thermochemical properties of nuclear reactor materials to be used for source term calculations in reactor accident codes. In the first part, the structure and the content of the computer file is described. In the second part a set of thermochemical data is presented pertaining to chemical reactions occurring during severe nuclear reactor accidents and involving fuel (uranium dioxide), fission products and structural materials. These data are complementary to those collected in the databook recently published by Cordfunke and Potter after a study supported by the Commission of the European Communities. The present data were collected from review articles and databanks and follow a discussion on the uncertainties and errors involved in the calculation of complex chemical equilibria in the extrapolated temperature range

  2. 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

  3. 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.

  4. 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

  5. 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.

  6. 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

  7. OECD/NEA thermochemical database

    Energy Technology Data Exchange (ETDEWEB)

    Byeon, Kee Hoh; Song, Dae Yong; Shin, Hyun Kyoo; Park, Seong Won; Ro, Seung Gy

    1998-03-01

    This state of the art report is to introduce the contents of the Chemical Data-Service, OECD/NEA, and the results of survey by OECD/NEA for the thermodynamic and kinetic database currently in use. It is also to summarize the results of Thermochemical Database Projects of OECD/NEA. This report will be a guide book for the researchers easily to get the validate thermodynamic and kinetic data of all substances from the available OECD/NEA database. (author). 75 refs.

  8. 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.

  9. 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.

  10. 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

  11. 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.

  12. 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.

  13. 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.

  14. 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

  15. 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

  16. 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

  17. 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.

  18. 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

  19. Project APhiD: A Lorenz-gauged A-Φ decomposition for parallelized computation of ultra-broadband electromagnetic induction in a fully heterogeneous Earth

    Science.gov (United States)

    Weiss, Chester J.

    2013-08-01

    An essential element for computational hypothesis testing, data inversion and experiment design for electromagnetic geophysics is a robust forward solver, capable of easily and quickly evaluating the electromagnetic response of arbitrary geologic structure. The usefulness of such a solver hinges on the balance among competing desires like ease of use, speed of forward calculation, scalability to large problems or compute clusters, parsimonious use of memory access, accuracy and by necessity, the ability to faithfully accommodate a broad range of geologic scenarios over extremes in length scale and frequency content. This is indeed a tall order. The present study addresses recent progress toward the development of a forward solver with these properties. Based on the Lorenz-gauged Helmholtz decomposition, a new finite volume solution over Cartesian model domains endowed with complex-valued electrical properties is shown to be stable over the frequency range 10-2-1010 Hz and range 10-3-105 m in length scale. Benchmark examples are drawn from magnetotellurics, exploration geophysics, geotechnical mapping and laboratory-scale analysis, showing excellent agreement with reference analytic solutions. Computational efficiency is achieved through use of a matrix-free implementation of the quasi-minimum-residual (QMR) iterative solver, which eliminates explicit storage of finite volume matrix elements in favor of "on the fly" computation as needed by the iterative Krylov sequence. Further efficiency is achieved through sparse coupling matrices between the vector and scalar potentials whose non-zero elements arise only in those parts of the model domain where the conductivity gradient is non-zero. Multi-thread parallelization in the QMR solver through OpenMP pragmas is used to reduce the computational cost of its most expensive step: the single matrix-vector product at each iteration. High-level MPI communicators farm independent processes to available compute nodes for

  20. Ozone decomposition

    Directory of Open Access Journals (Sweden)

    Batakliev Todor

    2014-06-01

    Full Text Available Catalytic ozone decomposition is of great significance because ozone is a toxic substance commonly found or generated in human environments (aircraft cabins, offices with photocopiers, laser printers, sterilizers. Considerable work has been done on ozone decomposition reported in the literature. This review provides a comprehensive summary of the literature, concentrating on analysis of the physico-chemical properties, synthesis and catalytic decomposition of ozone. This is supplemented by a review on kinetics and catalyst characterization which ties together the previously reported results. Noble metals and oxides of transition metals have been found to be the most active substances for ozone decomposition. The high price of precious metals stimulated the use of metal oxide catalysts and particularly the catalysts based on manganese oxide. It has been determined that the kinetics of ozone decomposition is of first order importance. A mechanism of the reaction of catalytic ozone decomposition is discussed, based on detailed spectroscopic investigations of the catalytic surface, showing the existence of peroxide and superoxide surface intermediates

  1. Effects of sulphur pollution on forest floor invertebrates (community structure, structural heterogeneity, edge effects, decomposition, Callioplus euoplus, Pterostichus adstrictus, Scaphinotus marginatus)

    International Nuclear Information System (INIS)

    Carcamo, H. A.

    1997-01-01

    The distribution of insects and other invertebrates was studied in forests under varying regimes of exposure to sulfur compounds in the vicinity of two sour gas plants and at sharp acidification gradients in pine and aspen forests located near a sulfur block. Results showed no effect on most invertebrates at moderate levels of sulfur deposition. At this level, structural heterogeneity of the forest floor was more influential than sulfur levels in determining the macroarthropoid community structure. By contrast, high sulphur contamination and subsequent acidification had a clear negative effect on earthworms, and various species of spiders. Ground beetles and certain epigeic spiders along the sharp acidification gradient at the pine forest were considered vulnerable but resistant and favoured. These results suggested that ecological specialists were most vulnerable to acidification effects, while ecological generalists have been more successful in resisting the effects of acidification. It was also shown that indirect effects at the landscape, habitat or forest type, and microhabitat level, were more important in the case of most of the arthropods than the direct effects. Only earthworms, snails and some Collembola were negatively affected through direct acidity effects

  2. Effects of sulphur pollution on forest floor invertebrates (community structure, structural heterogeneity, edge effects, decomposition, Callioplus euoplus, Pterostichus adstrictus, Scaphinotus marginatus)

    Energy Technology Data Exchange (ETDEWEB)

    Carcamo, H. A.

    1997-12-31

    The distribution of insects and other invertebrates was studied in forests under varying regimes of exposure to sulfur compounds in the vicinity of two sour gas plants and at sharp acidification gradients in pine and aspen forests located near a sulfur block. Results showed no effect on most invertebrates at moderate levels of sulfur deposition. At this level, structural heterogeneity of the forest floor was more influential than sulfur levels in determining the macroarthropoid community structure. By contrast, high sulphur contamination and subsequent acidification had a clear negative effect on earthworms, and various species of spiders. Ground beetles and certain epigeic spiders along the sharp acidification gradient at the pine forest were considered vulnerable but resistant and favoured. These results suggested that ecological specialists were most vulnerable to acidification effects, while ecological generalists have been more successful in resisting the effects of acidification. It was also shown that indirect effects at the landscape, habitat or forest type, and microhabitat level, were more important in the case of most of the arthropods than the direct effects. Only earthworms, snails and some Collembola were negatively affected through direct acidity effects.

  3. 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.

  4. 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.

  5. Decomposition techniques

    Science.gov (United States)

    Chao, T.T.; Sanzolone, R.F.

    1992-01-01

    Sample decomposition is a fundamental and integral step in the procedure of geochemical analysis. It is often the limiting factor to sample throughput, especially with the recent application of the fast and modern multi-element measurement instrumentation. The complexity of geological materials makes it necessary to choose the sample decomposition technique that is compatible with the specific objective of the analysis. When selecting a decomposition technique, consideration should be given to the chemical and mineralogical characteristics of the sample, elements to be determined, precision and accuracy requirements, sample throughput, technical capability of personnel, and time constraints. This paper addresses these concerns and discusses the attributes and limitations of many techniques of sample decomposition along with examples of their application to geochemical analysis. The chemical properties of reagents as to their function as decomposition agents are also reviewed. The section on acid dissolution techniques addresses the various inorganic acids that are used individually or in combination in both open and closed systems. Fluxes used in sample fusion are discussed. The promising microwave-oven technology and the emerging field of automation are also examined. A section on applications highlights the use of decomposition techniques for the determination of Au, platinum group elements (PGEs), Hg, U, hydride-forming elements, rare earth elements (REEs), and multi-elements in geological materials. Partial dissolution techniques used for geochemical exploration which have been treated in detail elsewhere are not discussed here; nor are fire-assaying for noble metals and decomposition techniques for X-ray fluorescence or nuclear methods be discussed. ?? 1992.

  6. 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)

  7. Thermochemical Surface Engineering: A Playground for Science and Innovation

    DEFF Research Database (Denmark)

    Christiansen, Thomas Lundin; Dahl, Kristian Vinter; Jellesen, Morten Stendahl

    2017-01-01

    Surface engineering by thermochemical processing is the intentional change of the composition of a material at elevated temperature with the purpose to improve materials performance. In thermochemical processing components from the starting material are essential in the development of the phases...... at the surface. Current research and innovation activities are used to exemplify thermochemical surface engineering and the interplay of science and innovation. The examples given encompass aspects of the synthesis of extremely porous materials, low temperature surface hardening of stainless steel, surface...

  8. 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

  9. 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%.

  10. 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

  11. 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)

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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

  18. 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

  19. 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.

  20. 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)

  1. 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.

  2. 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.

  3. 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.

  4. 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%.

  5. 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)

  6. 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.

  7. 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.

  8. 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.

  9. 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.)

  10. Decomposition analysis of cupric chloride hydrolysis in the Cu-Cl cycle of hydrogen production

    International Nuclear Information System (INIS)

    Daggupati, V.N.; Naterer, G.F.; Gabriel, K.S.; Gravelsins, R.; Wang, Z.

    2009-01-01

    This paper examines cupric chloride solid conversion during hydrolysis in a thermochemical copper-chlorine (Cu-Cl) cycle for hydrogen production. The hydrolysis reaction is a challenging step, in terms of the excess steam requirement and the decomposition of cupric chloride (CuCl 2 ) into cuprous chloride (CuCl) and chlorine (Cl 2 ). The hydrolysis and decomposition reactions are analyzed with respect to the chemical equilibrium constant. The effects of operating parameters are examined, including the temperature, pressure, excess steam and equilibrium conversion. A maximization of yield and selectivity are very important. Rate constants for the simultaneous reaction steps are determined using a uniform reaction model. A shrinking core model is used to determine the rate coefficients and predict the solid conversion time, with diffusional and reaction control. These new results are useful for scale-up of the engineering equipment in the thermochemical Cu-Cl cycle for hydrogen production. (author)

  11. 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.

  12. 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)

  13. 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.

  14. 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.

  15. The platinum catalysed decomposition of hydrazine in acidic media

    International Nuclear Information System (INIS)

    Ananiev, A.V.; Tananaev, I.G.; Brossard, Ph.; Broudic, J.C.

    2000-01-01

    Kinetic study of the hydrazine decomposition in the solutions of HClO 4 , H 2 SO 4 and HNO 3 in the presence of Pt/SiO 2 catalyst has been undertaken. It was shown that the kinetics of the hydrazine catalytic decomposition in HClO 4 and H 2 SO 4 are identical. The process is determined by the heterogeneous catalytic auto-decomposition of N 2 H 4 on the catalyst's surface. The platinum catalysed hydrazine decomposition in the nitric acid solutions is a complex process, including heterogeneous catalytic auto-decomposition of N 2 H 4 , reaction of hydrazine with catalytically generated nitrous acid and the catalytic oxidation of hydrazine by nitric acid. The kinetic parameters of these reactions have been determined. The contribution of each reaction in the total process is determined by the liquid phase composition and by the temperature. (authors)

  16. SUNgas: Thermochemical Approaches to Solar Fuels

    Science.gov (United States)

    Davidson, Jane

    2013-04-01

    Solar energy offers an intelligent solution to reduce anthropogenic emissions of greenhouse gases and to meet an expanding global demand for energy. A transformative change from fossil to solar energy requires collection, storage, and transport of the earth's most abundant but diffuse and intermittent source of energy. One intriguing approach for harvest and storage of solar energy is production of clean fuels via high temperature thermochemical processes. Concentrated solar energy is the heat source and biomass or water and carbon dioxide are the feedstocks. Two routes to produce fuels using concentrated solar energy and a renewable feed stock will be discussed: gasification of biomass or other carbonaceous materials and metal oxide cycles to produce synthesis gas. The first and most near term route to solar fuels is to gasify biomass. With conventional gasification, air or oxygen is supplied at fuel-rich levels to combust some of the feedstock and in this manner generate the energy required for conversion to H2 and CO. The partial-combustion consumes up to 40% of the energetic value of the feedstock. With air combustion, the product gas is diluted by high levels of CO2 and N2. Using oxygen reduces the product dilution, but at the expense of adding an oxygen plant. Supplying the required heat with concentrated solar radiation eliminates the need for partial combustion of the biomass feedstock. As a result, the product gas has an energetic value greater than that of the feedstock and it is not contaminated by the byproducts of combustion. The second promising route to solar fuels splits water and carbon dioxide. Two-step metal-oxide redox cycles hold out great potential because they the temperature required to achieve a reasonable degree of dissociation is lower than direct thermal dissociation and O2 and the fuel are produced in separate steps. The 1^st step is the endothermic thermal dissociation of the metal oxide to the metal or lower-valence metal oxide. The 2

  17. 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.)

  18. 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

  19. 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.

  20. 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

  1. The NAGRA/PSI thermochemical database: new developments

    Energy Technology Data Exchange (ETDEWEB)

    Hummel, W.; Berner, U.; Thoenen, T. [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Pearson, F.J.Jr. [Ground-Water Geochemistry, New Bern, NC (United States)

    2000-07-01

    The development of a high quality thermochemical database for performance assessment is a scientifically fascinating and demanding task, and is not simply collecting and recording numbers. The final product can by visualised as a complex building with different storeys representing different levels of complexity. The present status report illustrates the various building blocks which we believe are integral to such a database structure. (authors)

  2. 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.

  3. The NAGRA/PSI thermochemical database: new developments

    International Nuclear Information System (INIS)

    Hummel, W.; Berner, U.; Thoenen, T.; Pearson, F.J.Jr.

    2000-01-01

    The development of a high quality thermochemical database for performance assessment is a scientifically fascinating and demanding task, and is not simply collecting and recording numbers. The final product can by visualised as a complex building with different storeys representing different levels of complexity. The present status report illustrates the various building blocks which we believe are integral to such a database structure. (authors)

  4. 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.

  5. 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.)

  6. 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...

  7. 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.

  8. 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...

  9. 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)

  10. Spectral Decomposition Algorithm (SDA)

    Data.gov (United States)

    National Aeronautics and Space Administration — Spectral Decomposition Algorithm (SDA) is an unsupervised feature extraction technique similar to PCA that was developed to better distinguish spectral features in...

  11. Thermal decomposition of pyrite

    International Nuclear Information System (INIS)

    Music, S.; Ristic, M.; Popovic, S.

    1992-01-01

    Thermal decomposition of natural pyrite (cubic, FeS 2 ) has been investigated using X-ray diffraction and 57 Fe Moessbauer spectroscopy. X-ray diffraction analysis of pyrite ore from different sources showed the presence of associated minerals, such as quartz, szomolnokite, stilbite or stellerite, micas and hematite. Hematite, maghemite and pyrrhotite were detected as thermal decomposition products of natural pyrite. The phase composition of the thermal decomposition products depends on the terature, time of heating and starting size of pyrite chrystals. Hematite is the end product of the thermal decomposition of natural pyrite. (author) 24 refs.; 6 figs.; 2 tabs

  12. The Earth's heterogeneous mantle a geophysical, geodynamical, and geochemical perspective

    CERN Document Server

    Khan, Amir

    2015-01-01

    This book highlights and discusses recent developments that have contributed to an improved understanding of observed mantle heterogeneities and their relation to the thermo-chemical state of Earth's mantle, which ultimately holds the key to unlocking the secrets of the evolution of our planet. This series of topical reviews and original contributions address 4 themes. Theme 1 covers topics in geophysics, including global and regional seismic tomography, electrical conductivity and seismic imaging of mantle discontinuities and heterogeneities in the upper mantle, transition zone and lower mantle. Theme 2 addresses geochemical views of the mantle including lithospheric evolution from analysis of mantle xenoliths, composition of the deep Earth and the effect of water on subduction-zone processes. Theme 3 discusses geodynamical perspectives on the global thermo-chemical structure of the deep mantle. Theme 4 covers application of mineral physics data and phase equilibrium computations to infer the regional-scale ...

  13. Consequences of poly(vinyl chloride) presence on the thermochemical process of lignocellulosic biomass in CO₂ by thermogravimetric analysis.

    Science.gov (United States)

    He, Yao; Ma, Xiaoqian; Zeng, Guangbo

    2015-02-01

    The thermochemical processes of lignocellulosic biomass and its mixtures with poly(vinyl chloride) (PVC) fractions were investigated by thermogravimetric analysis in CO2 atmosphere. Superposition property was assumed to examine whether and/or to what extent interactions occurred during the mixture decomposition. Results showed that interactions existed, of which the intensities changed with reaction stage, heating rate and PVC quantity, and they actively behaved toward the decomposition in most cases. With PVC presence, lignocellulosic biomass turned from three-stage to four-stage decomposition process where the reactions occurred at lower temperatures with heightened intensity, especially in the first stage. The measured activation energies calculated by Ozawa-Flynn-Wall and Vyazovkin methods were of minor difference <5 kJ/mol, and comparing them between materials in each stage confirmed the results of interaction impact. This work provides a theoretical basis bringing about the possibilities of recycling CO2 into a reaction medium of thermo-treatment of lignocellulosic material with PVC contaminants. Copyright © 2014 Elsevier Ltd. All rights reserved.

  14. Kinetics of the thermal decomposition of nickel iodide

    International Nuclear Information System (INIS)

    Nakajima, Hayato; Shimizu, Saburo; Onuki, Kaoru; Ikezoe, Yasumasa; Sato, Shoichi

    1984-01-01

    Thermal decomposition kinetics of NiI 2 under constant I 2 partial pressure was studied by thermogravimetry. The reaction is considered as a reaction step of the thermochemical hydrogen production process in the Ni-I-S system. At temperatures from 775K to 869K and under I 2 pressures from 0 to 960Pa, the decomposition started at the NiI 2 pellet surface and the reactant-product interface moved interior at a constant rate until the decomposed fraction, α, reached 0.6. The overall reaction rate at a constant temperature can be expressed as the difference of the constant decomposition (forward) rate, which is proportional to the equilibrium dissociation pressure of NiI 2 , and the iodide formation (backward) rate, which is proportional to the I 2 pressure. The apparent activation energy of the decomposition was 147 kJ.mol -1 , which is very close to the heat of reaction, 152 kJ.mol -1 calculated from the equilibrium dissociation pressure. The electron microscopic observations, revealed that the reaction product obtained by decomposing NiI 2 under pure He atomosphere was composed of relatively well grown cubic Ni crystals. Whereas, the decomposed product obtained under I 2 -He mixture was composed of larger but disordered crystals. (author)

  15. Static analysis of the thermochemical hydrogen production IS process for assessment of the operation parameters and the chemical properties

    International Nuclear Information System (INIS)

    Kasahara, Seiji; Onuki, Kaoru; Nomura, Mikihiro; Nakao, Shin-ichi

    2006-01-01

    A sensitivity analysis of the operation parameters and the chemical properties in the thermochemical hydrogen production IS process (iodine-sulfur process) was carried out for a static flow sheet. These parameters were evaluated by hydrogen production thermal efficiency, the mass flow rate or heat exchange based on the heat/mass balance. The most important parameters were the concentration of HI after electro-electrodialysis (EED) and the apparent transport number of protons of the cation exchange membrane in the EED cell. HI concentration operation should be operated carefully because the parameters for optimum thermal efficiency and for the optimum flow rate and heat exchange were different. For the chemical properties, composition at the inlet of the HI decomposition procedure and HI x pseudo-azeotropic composition had great effects. The HI concentration after the EED should be optimized for each composition. The order of priority for the assessment of the operation parameters and chemical properties was determined by the evaluation. (author)

  16. Thermochemical hydrogen production based on magnetic fusion

    International Nuclear Information System (INIS)

    Krikorian, O.H.; Brown, L.C.

    1982-01-01

    Conceptual design studies have been carried out on an integrated fusion/chemical plant system using a Tandem Mirror Reactor fusion energy source to drive the General Atomic Sulfur-Iodine Water-Splitting Cycle and produce hydrogen as a future feedstock for synthetic fuels. Blanket design studies for the Tandem Mirror Reactor show that several design alternatives are available for providing heat at sufficiently high temperatures to drive the General Atomic Cycle. The concept of a Joule-boosted decomposer is introduced in one of the systems investigated to provide heat electrically for the highest temperature step in the cycle (the SO 3 decomposition step), and thus lower blanket design requirements and costs. Flowsheeting and conceptual process designs have been developed for a complete fusion-driven hydrogen plant, and the information has been used to develop a plot plan for the plant and to estimate hydrogen production costs. Both public and private utility financing approaches have been used to obtain hydrogen production costs of $12-14/GJ based on July 1980 dollars

  17. Upper mantle compositional variations and discontinuity topography imaged beneath Australia from Bayesian inversion of surface-wave phase velocities and thermochemical modeling

    DEFF Research Database (Denmark)

    Khan, A.; Zunino, Andrea; Deschamps, F.

    2013-01-01

    Here we discuss the nature of velocity heterogeneities seen in seismic tomography images of Earth's mantle whose origins and relation to thermochemical variations are yet to be understood. We illustrate this by inverting fundamental-mode and higher-order surface-wave phase velocities for radial....../Fe and Mg/Si values relative to surrounding mantle. Correlated herewith are thermal variations that closely follow surface tectonics. We also observe a strong contribution to lateral variations in structure and topography across the “410 km” seismic discontinuity from thermochemically induced phase......-wave tomography models with other regional models is encouraging. Radial anisotropy is strongest at 150/200 km depth beneath oceanic/continental areas, respectively, and appears weak and homogeneous below. Finally, geoid anomalies are computed for a subset of sampled model and compared to observations....

  18. 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

  19. Multiresolution signal decomposition schemes

    NARCIS (Netherlands)

    J. Goutsias (John); H.J.A.M. Heijmans (Henk)

    1998-01-01

    textabstract[PNA-R9810] Interest in multiresolution techniques for signal processing and analysis is increasing steadily. An important instance of such a technique is the so-called pyramid decomposition scheme. This report proposes a general axiomatic pyramid decomposition scheme for signal analysis

  20. Decomposition of Sodium Tetraphenylborate

    International Nuclear Information System (INIS)

    Barnes, M.J.

    1998-01-01

    The chemical decomposition of aqueous alkaline solutions of sodium tetraphenylborate (NaTPB) has been investigated. The focus of the investigation is on the determination of additives and/or variables which influence NaTBP decomposition. This document describes work aimed at providing better understanding into the relationship of copper (II), solution temperature, and solution pH to NaTPB stability

  1. THERMOCHEMICAL HEAT STORAGE FOR CONCENTRATED SOLAR POWER

    Energy Technology Data Exchange (ETDEWEB)

    PROJECT STAFF

    2011-10-31

    Thermal energy storage (TES) is an integral part of a concentrated solar power (CSP) system. It enables plant operators to generate electricity beyond on sun hours and supply power to the grid to meet peak demand. Current CSP sensible heat storage systems employ molten salts as both the heat transfer fluid and the heat storage media. These systems have an upper operating temperature limit of around 400 C. Future TES systems are expected to operate at temperatures between 600 C to 1000 C for higher thermal efficiencies which should result in lower electricity cost. To meet future operating temperature and electricity cost requirements, a TES concept utilizing thermochemical cycles (TCs) based on multivalent solid oxides was proposed. The system employs a pair of reduction and oxidation (REDOX) reactions to store and release heat. In the storage step, hot air from the solar receiver is used to reduce the oxidation state of an oxide cation, e.g. Fe3+ to Fe2+. Heat energy is thus stored as chemical bonds and the oxide is charged. To discharge the stored energy, the reduced oxide is re-oxidized in air and heat is released. Air is used as both the heat transfer fluid and reactant and no storage of fluid is needed. This project investigated the engineering and economic feasibility of this proposed TES concept. The DOE storage cost and LCOE targets are $15/kWh and $0.09/kWh respectively. Sixteen pure oxide cycles were identified through thermodynamic calculations and literature information. Data showed the kinetics of re-oxidation of the various oxides to be a key barrier to implementing the proposed concept. A down selection was carried out based on operating temperature, materials costs and preliminary laboratory measurements. Cobalt oxide, manganese oxide and barium oxide were selected for developmental studies to improve their REDOX reaction kinetics. A novel approach utilizing mixed oxides to improve the REDOX kinetics of the selected oxides was proposed. It partially

  2. Azimuthal decomposition of optical modes

    CSIR Research Space (South Africa)

    Dudley, Angela L

    2012-07-01

    Full Text Available This presentation analyses the azimuthal decomposition of optical modes. Decomposition of azimuthal modes need two steps, namely generation and decomposition. An azimuthally-varying phase (bounded by a ring-slit) placed in the spatial frequency...

  3. Catalytic activity of metal borides in the reaction of decomposition

    International Nuclear Information System (INIS)

    Labodi, I.; Korablev, L.I.; Tavadyan, L.A.; Blyumberg, Eh.A.

    1982-01-01

    Catalytic effect of CoB, MoB 2 , ZrB 2 and NbB 2 , prepared by the method of self-propagating high-temperature synthesis, on decomposition of tertiary butyl hydroperoxide has been studied. A technigue of determination of action mechanism of heterogeneous catalysts in liquid-phase process is suggested. It is established that CoB in contrast to other metal borides catalyzes only hydroperoxide decomposition into radicals

  4. JAEA’s R&D on the Thermochemical Hydrogen Production IS Process

    International Nuclear Information System (INIS)

    Kasahara, Seiji; Tanaka, Nobuyuki; Noguchi, Hiroki; Iwatsuki, Jin; Takegami, Hiroaki; Yan, Xing L.; Kubo, Shinji

    2014-01-01

    Japan Atomic Energy Agency (JAEA) has studied iodine-sulfur (IS) process, a thermochemical cycle to produce hydrogen by water splitting. This process is a candidate application of high temperature heat from high temperature gas-cooled reactors. This paper outlines the IS process study in JAEA, in particular recent situation of the R&D. Reactor components and a total process facility are tested to evaluate their integrity. A Bunsen reactor, a H_2SO_4 decomposer and a HI decomposer made of industrial materials such as SiC ceramic, fluoroplastic and lining materials have been examined separately as reactor components. A semibatch test and a thermal cycle test were operated in the Bunsen reactor. H_2SO_4 decomposition test is in a bayonet type reactor and HI decomposition test in an adiabatic radial flow type reactor are now under way. On the basis of a demonstration of continuous hydrogen production of 31 NL/h by a glass apparatus, an experimental apparatus of the total IS process has just been constructed to verify integrity of process components of industrial materials, H_2 production scale of which is 200 NL/h. Electro-electrodialysis (EED) cells to concentrate HI before distillation and a SiC-made bayonet type H_2SO_4 decomposer are applied in the facility. Process data of EED cells has been collected aiming to improve H_2 production thermal efficiency. Influence of temperature, composition in solution and existence of impurities on the cell properties has been investigated. Reduction of heat input to a HI separation step by applying the results of the study was shown. (author)

  5. Decomposition in pelagic marine ecosytems

    International Nuclear Information System (INIS)

    Lucas, M.I.

    1986-01-01

    During the decomposition of plant detritus, complex microbial successions develop which are dominated in the early stages by a number of distinct bacterial morphotypes. The microheterotrophic community rapidly becomes heterogenous and may include cyanobacteria, fungi, yeasts and bactivorous protozoans. Microheterotrophs in the marine environment may have a biomass comparable to that of all other heterotrophs and their significance as a resource to higher trophic orders, and in the regeneration of nutrients, particularly nitrogen, that support 'regenerated' primary production, has aroused both attention and controversy. Numerous methods have been employed to measure heterotrophic bacterial production and activity. The most widely used involve estimates of 14 C-glucose uptake; the frequency of dividing cells; the incorporation of 3 H-thymidine and exponential population growth in predator-reduced filtrates. Recent attempts to model decomposition processes and C and N fluxes in pelagic marine ecosystems are described. This review examines the most sensitive components and predictions of the models with particular reference to estimates of bacterial production, net growth yield and predictions of N cycling determined by 15 N methodology. Directed estimates of nitrogen (and phosphorus) flux through phytoplanktonic and bacterioplanktonic communities using 15 N (and 32 P) tracer methods are likely to provide more realistic measures of nitrogen flow through planktonic communities

  6. 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.

  7. 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.

  8. Explore the performance limit of a solar PV – thermochemical power generation system

    International Nuclear Information System (INIS)

    Li, Wenjia; Hao, Yong

    2017-01-01

    Highlights: •Theoretical net solar-to-electric efficiency of 51.5% is attainable. •Design of efficient PVT systems is governed by at least 5 key considerations. •Concentration ratio has the most pronounced influence on PVT system efficiency. •Efficient PV, low emissivity and high concentration deliver the best performance. -- Abstract: Performance limit of a solar hybrid power generation system integrating efficient photovoltaic (PV) cells and methanol thermal (T) decomposition is explored from a thermodynamic perspective within the capability of state-of-the-art technologies. This type of PVT system features potentially high “net solar-to-electric efficiency” in general, primarily resulting from a key difference in the design of the thermal part compared with conventional PVT systems, i.e. replacing heat engines by a thermochemical power generation module for thermal energy utilization. Key design parameters of the system, including PV cell type, emissivity, solar concentration ratio and solar concentrator type, are individually studied. A system combining all such optimized aspects is projected to achieve net solar-to-electric efficiencies up to 51.5%, after taking all major (e.g. optical, radiative) losses into consideration. This study reveals important insights and enriches understanding on design principles of efficient PVT systems aimed at comprehensive and effective utilization of solar energy.

  9. Identification and thermochemical analysis of high-lignin feedstocks for biofuel and biochemical production

    Directory of Open Access Journals (Sweden)

    Mendu Venugopal

    2011-10-01

    Full Text Available Abstract Background Lignin is a highly abundant biopolymer synthesized by plants as a complex component of plant secondary cell walls. Efforts to utilize lignin-based bioproducts are needed. Results Herein we identify and characterize the composition and pyrolytic deconstruction characteristics of high-lignin feedstocks. Feedstocks displaying the highest levels of lignin were identified as drupe endocarp biomass arising as agricultural waste from horticultural crops. By performing pyrolysis coupled to gas chromatography-mass spectrometry, we characterized lignin-derived deconstruction products from endocarp biomass and compared these with switchgrass. By comparing individual pyrolytic products, we document higher amounts of acetic acid, 1-hydroxy-2-propanone, acetone and furfural in switchgrass compared to endocarp tissue, which is consistent with high holocellulose relative to lignin. By contrast, greater yields of lignin-based pyrolytic products such as phenol, 2-methoxyphenol, 2-methylphenol, 2-methoxy-4-methylphenol and 4-ethyl-2-methoxyphenol arising from drupe endocarp tissue are documented. Conclusions Differences in product yield, thermal decomposition rates and molecular species distribution among the feedstocks illustrate the potential of high-lignin endocarp feedstocks to generate valuable chemicals by thermochemical deconstruction.

  10. Drug-drug cocrystals of antituberculous 4-aminosalicylic acid: Screening, crystal structures, thermochemical and solubility studies.

    Science.gov (United States)

    Drozd, Ksenia V; Manin, Alex N; Churakov, Andrei V; Perlovich, German L

    2017-03-01

    Experimental multistage cocrystal screening of the antituberculous drug 4-aminosalicylic acid (PASA) has been conducted with a number of coformers (pyrazinamide (PYR), nicotinamide (NAM), isonicotinamide (iNAM), isoniazid (INH), caffeine (CAF) and theophylline (TPH)). The crystal structures of 4-aminosalicylic acid cocrystals with isonicotinamide ([PASA+iNAM] (2:1)) and methanol solvate with caffeine ([PASA+CAF+MeOH] (1:1:1)) have been determined by single X-ray diffraction experiments. For the first time for PASA cocrystals it has been found that the structural unit of the [PASA+iNAM] cocrystal (2:1) is formed by 2 types of heterosynthons: acid-pyridine and acid-amide. The desolvation study of the [PASA+CAF+MeOH] cocrystal solvate (1:1:1) has been conducted. The correlation models linking the melting points of the cocrystals with the melting points of the coformers used in this paper have been developed. The thermochemical and solubility properties for all the obtained cocrystals have been studied. Cocrystallization has been shown to lead not only to PASA solubility improving but also to its higher stability against the chemical decomposition. Copyright © 2016 Elsevier B.V. All rights reserved.

  11. 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.)

  12. 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

  13. 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.

  14. Thermochemical treatment of spent ion exchange resins

    International Nuclear Information System (INIS)

    Ojovan, M.I.; Petrov, G.A.; Dmitriev, S.A.; Trusov, B.G.; Semenov, K.N.; Klimov, V.L.

    2001-01-01

    Spent ion exchange resins (IER) is a principal type of radioactive waste constantly generated by nuclear plants of various functions. The reduction of volume of this waste and its treatment to the forms suitable for long-term disposal is an urgent problem facing the present-day atomic energetics. Nowadays the technological process THOR (Studsvik, Sweden) based on the thermodestruction of IER is the best developed and realized on the industrial scale. Unfortunately, this process requires expensive equipment and great energy consumption for the moisture to be evaporated and thereafter IER to be destroyed by heat. Meanwhile the capability of some elements (Mg, Al, Si, Ti etc.) has long been known and practical use found for active interaction with water in combustion regime. This property of the metals has been used in the development of new technology of treatment of IERs in SIA ''Radon''. Wet IER is mixed with powder metal fuel (PMF) which represents a mixture of metal powder, a quantity of burning activator and some technological additives. On initiation, the mixture of IER with PMF burns without extra energy supply to generate enough heat for the moisture to be evaporated and products of IER decomposition to be destroyed and evaporated. To burn out the products of IER evaporation the air is used. The thermodynamic simulation data and the results of experiments using a pilot plant show that radionuclides contained in IER are chemically bound in ash residue consisting of metal oxides, spinel, silicates, etc. According to the experimental data, radionuclides in amounts of 90% or more of Cs-137 and up to 95% of Sr-90 and Co-60 are fixed in the ash residue. The residue volume is several times less than the initial volume of IER. Concentrations of hazard gases in off-gases do not exceed maximum permissible ones accepted in different countries. The technological process is easy to perform, it does not require sophisticated equipment and great energy consumption which

  15. 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.

  16. Cellular decomposition in vikalloys

    International Nuclear Information System (INIS)

    Belyatskaya, I.S.; Vintajkin, E.Z.; Georgieva, I.Ya.; Golikov, V.A.; Udovenko, V.A.

    1981-01-01

    Austenite decomposition in Fe-Co-V and Fe-Co-V-Ni alloys at 475-600 deg C is investigated. The cellular decomposition in ternary alloys results in the formation of bcc (ordered) and fcc structures, and in quaternary alloys - bcc (ordered) and 12R structures. The cellular 12R structure results from the emergence of stacking faults in the fcc lattice with irregular spacing in four layers. The cellular decomposition results in a high-dispersion structure and magnetic properties approaching the level of well-known vikalloys [ru

  17. Decompositions of manifolds

    CERN Document Server

    Daverman, Robert J

    2007-01-01

    Decomposition theory studies decompositions, or partitions, of manifolds into simple pieces, usually cell-like sets. Since its inception in 1929, the subject has become an important tool in geometric topology. The main goal of the book is to help students interested in geometric topology to bridge the gap between entry-level graduate courses and research at the frontier as well as to demonstrate interrelations of decomposition theory with other parts of geometric topology. With numerous exercises and problems, many of them quite challenging, the book continues to be strongly recommended to eve

  18. Complexity Reduction of Multiphase Flows in Heterogeneous Porous Media

    KAUST Repository

    Ghommem, Mehdi; Gildin, Eduardo; Ghasemi, Mohammadreza

    2015-01-01

    In this paper, we apply mode decomposition and interpolatory projection methods to speed up simulations of two-phase flows in heterogeneous porous media. We propose intrusive and nonintrusive model-reduction approaches that enable a significant

  19. 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...

  20. 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.

  1. 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.

  2. Photochemical decomposition of catecholamines

    International Nuclear Information System (INIS)

    Mol, N.J. de; Henegouwen, G.M.J.B. van; Gerritsma, K.W.

    1979-01-01

    During photochemical decomposition (lambda=254 nm) adrenaline, isoprenaline and noradrenaline in aqueous solution were converted to the corresponding aminochrome for 65, 56 and 35% respectively. In determining this conversion, photochemical instability of the aminochromes was taken into account. Irradiations were performed in such dilute solutions that the neglect of the inner filter effect is permissible. Furthermore, quantum yields for the decomposition of the aminochromes in aqueous solution are given. (Author)

  3. Decomposition studies of group 6 hexacarbonyl complexes. Pt. 2. Modelling of the decomposition process

    Energy Technology Data Exchange (ETDEWEB)

    Usoltsev, Ilya; Eichler, Robert; Tuerler, Andreas [Paul Scherrer Institut (PSI), Villigen (Switzerland); Bern Univ. (Switzerland)

    2016-11-01

    The decomposition behavior of group 6 metal hexacarbonyl complexes (M(CO){sub 6}) in a tubular flow reactor is simulated. A microscopic Monte-Carlo based model is presented for assessing the first bond dissociation enthalpy of M(CO){sub 6} complexes. The suggested approach superimposes a microscopic model of gas adsorption chromatography with a first-order heterogeneous decomposition model. The experimental data on the decomposition of Mo(CO){sub 6} and W(CO){sub 6} are successfully simulated by introducing available thermodynamic data. Thermodynamic data predicted by relativistic density functional theory is used in our model to deduce the most probable experimental behavior of the corresponding Sg carbonyl complex. Thus, the design of a chemical experiment with Sg(CO){sub 6} is suggested, which is sensitive to benchmark our theoretical understanding of the bond stability in carbonyl compounds of the heaviest elements.

  4. 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

  5. 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)

  6. 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)

  7. Thermochemical data for reactor materials and fission products: The ECN database

    International Nuclear Information System (INIS)

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

    1993-02-01

    The activities of the authors regarding the compilation of a database of thermochemical properties for reactor materials and fission products is reviewed. The evaluation procedures and techniques are outlined and examples are given. In addition, examples of the use of thermochemical data for the application in the field of Nuclear Technology are given. (orig.)

  8. 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

  9. 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,

  10. 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.

  11. 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.

  12. 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.

  13. 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

  14. Decomposing Nekrasov decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Morozov, A. [ITEP,25 Bolshaya Cheremushkinskaya, Moscow, 117218 (Russian Federation); Institute for Information Transmission Problems,19-1 Bolshoy Karetniy, Moscow, 127051 (Russian Federation); National Research Nuclear University MEPhI,31 Kashirskoe highway, Moscow, 115409 (Russian Federation); Zenkevich, Y. [ITEP,25 Bolshaya Cheremushkinskaya, Moscow, 117218 (Russian Federation); National Research Nuclear University MEPhI,31 Kashirskoe highway, Moscow, 115409 (Russian Federation); Institute for Nuclear Research of Russian Academy of Sciences,6a Prospekt 60-letiya Oktyabrya, Moscow, 117312 (Russian Federation)

    2016-02-16

    AGT relations imply that the four-point conformal block admits a decomposition into a sum over pairs of Young diagrams of essentially rational Nekrasov functions — this is immediately seen when conformal block is represented in the form of a matrix model. However, the q-deformation of the same block has a deeper decomposition — into a sum over a quadruple of Young diagrams of a product of four topological vertices. We analyze the interplay between these two decompositions, their properties and their generalization to multi-point conformal blocks. In the latter case we explain how Dotsenko-Fateev all-with-all (star) pair “interaction” is reduced to the quiver model nearest-neighbor (chain) one. We give new identities for q-Selberg averages of pairs of generalized Macdonald polynomials. We also translate the slicing invariance of refined topological strings into the language of conformal blocks and interpret it as abelianization of generalized Macdonald polynomials.

  15. Decomposing Nekrasov decomposition

    International Nuclear Information System (INIS)

    Morozov, A.; Zenkevich, Y.

    2016-01-01

    AGT relations imply that the four-point conformal block admits a decomposition into a sum over pairs of Young diagrams of essentially rational Nekrasov functions — this is immediately seen when conformal block is represented in the form of a matrix model. However, the q-deformation of the same block has a deeper decomposition — into a sum over a quadruple of Young diagrams of a product of four topological vertices. We analyze the interplay between these two decompositions, their properties and their generalization to multi-point conformal blocks. In the latter case we explain how Dotsenko-Fateev all-with-all (star) pair “interaction” is reduced to the quiver model nearest-neighbor (chain) one. We give new identities for q-Selberg averages of pairs of generalized Macdonald polynomials. We also translate the slicing invariance of refined topological strings into the language of conformal blocks and interpret it as abelianization of generalized Macdonald polynomials.

  16. Symmetric Tensor Decomposition

    DEFF Research Database (Denmark)

    Brachat, Jerome; Comon, Pierre; Mourrain, Bernard

    2010-01-01

    We present an algorithm for decomposing a symmetric tensor, of dimension n and order d, as a sum of rank-1 symmetric tensors, extending the algorithm of Sylvester devised in 1886 for binary forms. We recall the correspondence between the decomposition of a homogeneous polynomial in n variables...... of polynomial equations of small degree in non-generic cases. We propose a new algorithm for symmetric tensor decomposition, based on this characterization and on linear algebra computations with Hankel matrices. The impact of this contribution is two-fold. First it permits an efficient computation...... of the decomposition of any tensor of sub-generic rank, as opposed to widely used iterative algorithms with unproved global convergence (e.g. Alternate Least Squares or gradient descents). Second, it gives tools for understanding uniqueness conditions and for detecting the rank....

  17. 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.

  18. 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.

  19. Heterogeneous reactors

    International Nuclear Information System (INIS)

    Moura Neto, C. de; Nair, R.P.K.

    1979-08-01

    The microscopic study of a cell is meant for the determination of the infinite multiplication factor of the cell, which is given by the four factor formula: K(infinite) = n(epsilon)pf. The analysis of an homogeneous reactor is similar to that of an heterogeneous reactor, but each factor of the four factor formula can not be calculated by the formulas developed in the case of an homogeneous reactor. A great number of methods was developed for the calculation of heterogeneous reactors and some of them are discussed. (Author) [pt

  20. FDG decomposition products

    International Nuclear Information System (INIS)

    Macasek, F.; Buriova, E.

    2004-01-01

    In this presentation authors present the results of analysis of decomposition products of [ 18 ]fluorodexyglucose. It is concluded that the coupling of liquid chromatography - mass spectrometry with electrospray ionisation is a suitable tool for quantitative analysis of FDG radiopharmaceutical, i.e. assay of basic components (FDG, glucose), impurities (Kryptofix) and decomposition products (gluconic and glucuronic acids etc.); 2-[ 18 F]fluoro-deoxyglucose (FDG) is sufficiently stable and resistant towards autoradiolysis; the content of radiochemical impurities (2-[ 18 F]fluoro-gluconic and 2-[ 18 F]fluoro-glucuronic acids in expired FDG did not exceed 1%

  1. 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.

  2. 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

  3. Towards the renewal of the NEA Thermochemical Database

    International Nuclear Information System (INIS)

    Ragoussi, Maria-Eleni; Costa, Davide; Bossant, Manuel

    2015-01-01

    The Thermochemical Database (TDB) Project was created three decades ago as a joint undertaking of the NEA Radioactive Waste Management Committee and the NEA Data Bank. The project involves the collection of high-quality and traceable thermochemical data for a set of elements (mainly minor actinides and fission products) relevant to geophysical modelling of deep geological repositories. Funding comes from 15 participating organisations, primarily national nuclear waste authorities and research institutions. The quantities that are stored in the TDB database are: the standard molar Gibbs energy and enthalpy of formation, the standard molar entropy and, when available, the heat capacity at constant pressure, together with their uncertainty intervals. Reaction data are also provided: equilibrium constant of reaction, molar Gibbs energy of reaction, molar enthalpy of reaction and molar entropy of reaction. Data assessment is carried out by teams of expert reviewers through an in-depth analysis of the available scientific literature, following strict guidelines defined by the NEA to ensure the accuracy and self-consistency of the adopted datasets. Thermochemical data that has been evaluated and selected over the years have been published in the 13 volumes of the Chemical Thermodynamics series. They are also stored in a database that is updated each time the study of a new element is completed. The TDB selected data are made available to external third parties through the NEA web site where data extracted from the database can be displayed and downloaded as plain text files. Following recent recommendations of the Task Force on the Future Programme of the NEA Data Bank to enhance scientific expertise and user services, a renewal of the software managing the TDB database is being undertaken. The software currently used was designed 20 years ago and is becoming obsolete. Redesigning the application will provide an opportunity to correct current shortcomings and to develop

  4. 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

  5. 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

  6. 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.

  7. Heterogeneous Gossip

    Science.gov (United States)

    Frey, Davide; Guerraoui, Rachid; Kermarrec, Anne-Marie; Koldehofe, Boris; Mogensen, Martin; Monod, Maxime; Quéma, Vivien

    Gossip-based information dissemination protocols are considered easy to deploy, scalable and resilient to network dynamics. Load-balancing is inherent in these protocols as the dissemination work is evenly spread among all nodes. Yet, large-scale distributed systems are usually heterogeneous with respect to network capabilities such as bandwidth. In practice, a blind load-balancing strategy might significantly hamper the performance of the gossip dissemination.

  8. 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

  9. Hydrogen production by the decomposition of water

    Science.gov (United States)

    Hollabaugh, C.M.; Bowman, M.G.

    A process is described for the production of hydrogen from water by a sulfuric acid process employing electrolysis and thermo-chemical decomposition. The water containing SO/sub 2/ is electrolyzed to produce H/sub 2/ at the cathode and to oxidize the SO/sub 2/ to form H/sub 2/SO/sub 4/ at the anode. After the H/sub 2/ has been separated, a compound of the type M/sub r/X/sub s/ is added to produce a water insoluble sulfate of M and a water insoluble oxide of the metal in the radical X. In the compound M/sub r/X/sub s/, M is at least one metal selected from the group consisting of Ba/sup 2 +/, Ca/sup 2 +/, Sr/sup 2 +/, La/sup 2 +/, and Pb/sup 2 +/; X is at least one radical selected from the group consisting of molybdate (MoO/sub 4//sup 2 -/), tungstate (WO/sub 4//sup 2 -/), and metaborate (BO/sub 2//sup 1 -/); and r and s are either 1, 2, or 3 depending upon the valence of M and X. The precipitated mixture is filtered and heated to a temperature sufficiently high to form SO/sub 3/ gas and to reform M/sub r/X/sub s/. The SO/sub 3/ is dissolved in a small amount of H/sub 2/O to produce concentrated H/sub 2/SO/sub 4/, and the M/sub r/X/sub s/ is recycled to the process. Alternatively, the SO/sub 3/ gas can be recycled to the beginning of the process to provide a continuous process for the production of H/sub 2/ in which only water need be added in a substantial amount. (BLM)

  10. Inverse scale space decomposition

    DEFF Research Database (Denmark)

    Schmidt, Marie Foged; Benning, Martin; Schönlieb, Carola-Bibiane

    2018-01-01

    We investigate the inverse scale space flow as a decomposition method for decomposing data into generalised singular vectors. We show that the inverse scale space flow, based on convex and even and positively one-homogeneous regularisation functionals, can decompose data represented...... by the application of a forward operator to a linear combination of generalised singular vectors into its individual singular vectors. We verify that for this decomposition to hold true, two additional conditions on the singular vectors are sufficient: orthogonality in the data space and inclusion of partial sums...... of the subgradients of the singular vectors in the subdifferential of the regularisation functional at zero. We also address the converse question of when the inverse scale space flow returns a generalised singular vector given that the initial data is arbitrary (and therefore not necessarily in the range...

  11. Magic Coset Decompositions

    CERN Document Server

    Cacciatori, Sergio L; Marrani, Alessio

    2013-01-01

    By exploiting a "mixed" non-symmetric Freudenthal-Rozenfeld-Tits magic square, two types of coset decompositions are analyzed for the non-compact special K\\"ahler symmetric rank-3 coset E7(-25)/[(E6(-78) x U(1))/Z_3], occurring in supergravity as the vector multiplets' scalar manifold in N=2, D=4 exceptional Maxwell-Einstein theory. The first decomposition exhibits maximal manifest covariance, whereas the second (triality-symmetric) one is of Iwasawa type, with maximal SO(8) covariance. Generalizations to conformal non-compact, real forms of non-degenerate, simple groups "of type E7" are presented for both classes of coset parametrizations, and relations to rank-3 simple Euclidean Jordan algebras and normed trialities over division algebras are also discussed.

  12. 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.

  13. Safety measures for integrity test apparatus for IS process. Sulfuric acid decomposition section

    International Nuclear Information System (INIS)

    Noguchi, Hiroki; Kubo, Shinji; Iwatsuki, Jin; Onuki, Kaoru

    2013-07-01

    Hazardous substances such as sulfuric acid, sulfur dioxide and hydrogen iodide acid are employed in thermochemical Iodine-Sulfur (IS) process. It is necessary to take safety measure against workers and external environments to study experimentally on IS process. Presently we have been conducting to verify the soundness of main components made of engineering material in actual corrosive condition. An integrity test apparatus for the components of sulfuric acid decomposition was set up. We will use the hazardous substances such as sulfuric acid and sulfur dioxide and perform the experiment in pressurized condition in this integrity test. Safety measures for the test apparatus, operation and abnormal situation were considered prior to starting the test. This report summarized the consideration results for the safety measures on the integrity test apparatus for the components of sulfuric acid decomposition. (author)

  14. 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

  15. The NEA thermochemical database project. 30 years of accomplishments

    International Nuclear Information System (INIS)

    Ragoussi, Maria-Eleni; Brassinnes, Stephane

    2015-01-01

    The NEA Thermochemical Database (TDB) Project (www.oecd-nea.org/dbtdb/) provides a database of chemical thermodynamic values treating the most significant elements related to nuclear waste management. The work carried out since the initiation of TDB in 1984 has resulted in the publication of thirteen major reviews and a large set of selected values that have become an international reference in the field, as they are characterized for their accuracy, consistency and high quality. Herein, we describe the basis, scientific principles and organization of the TDB project, together with its evolution from its inception to the present organization as a joint undertaking under Article 5(b) of the Statute of the OECD Nuclear Energy Agency (NEA).

  16. 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.

  17. 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.)

  18. 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)

  19. 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

  20. 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.)

  1. 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.

  2. 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

  3. 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)

  4. Experiments of HI decomposition in Iodine-sulfur process

    International Nuclear Information System (INIS)

    Yoon, Ho Joon

    2006-02-01

    We performed an experimental study on the HI concentration and decomposition in Iodine-Sulfur process for thermochemical hydrogen production, which is the most expensive and energy consuming stage. For breaking azeotropic restrain, a partial condensing type, perforated plate type, and packed bed distillation column are employed. A Liebig-type condenser was used for a partial condensing distillation test. The perforated plate distillation column has 40 mm diameter and 5 stages with 8 holes per a plate. The packed bed distillation column has 40 mm diameter and was filled with 5 mm glass beads. While no distillation methods are able to change azeotropic conditions at atmospheric pressure, HI decomposition took place in a reboiler at 480 .deg. C. The vapor-liquid equilibrium curve was obtained from the experiment with binary mixtures (HI/H 2 O) at atmospheric pressure. Almost pure H 2 O was evaporated at the lower temperature than 125 .deg. C, and above that temperature binary mixtures (HI/H 2 O) were evaporated until the leftover solution became HI acid of 0.157mol, which was an azeotropic concentration of HI. With a consideration of heat loss, enthalpy of vaporization at azeotropic condition was estimated as 1131 kJ/kg

  5. Experiments of HI decomposition in Iodine-sulfur process

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, Ho Joon

    2006-02-15

    We performed an experimental study on the HI concentration and decomposition in Iodine-Sulfur process for thermochemical hydrogen production, which is the most expensive and energy consuming stage. For breaking azeotropic restrain, a partial condensing type, perforated plate type, and packed bed distillation column are employed. A Liebig-type condenser was used for a partial condensing distillation test. The perforated plate distillation column has 40 mm diameter and 5 stages with 8 holes per a plate. The packed bed distillation column has 40 mm diameter and was filled with 5 mm glass beads. While no distillation methods are able to change azeotropic conditions at atmospheric pressure, HI decomposition took place in a reboiler at 480 .deg. C. The vapor-liquid equilibrium curve was obtained from the experiment with binary mixtures (HI/H{sub 2}O) at atmospheric pressure. Almost pure H{sub 2}O was evaporated at the lower temperature than 125 .deg. C, and above that temperature binary mixtures (HI/H{sub 2}O) were evaporated until the leftover solution became HI acid of 0.157mol, which was an azeotropic concentration of HI. With a consideration of heat loss, enthalpy of vaporization at azeotropic condition was estimated as 1131 kJ/kg.

  6. 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

  7. 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)

  8. 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)

  9. 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)

  10. 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

  11. 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...

  12. 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)

  13. 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)

  14. 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

  15. Third millenium ideal gas and condensed phase thermochemical database for combustion (with update from active thermochemical tables).

    Energy Technology Data Exchange (ETDEWEB)

    Burcat, A.; Ruscic, B.; Chemistry; Technion - Israel Inst. of Tech.

    2005-07-29

    The thermochemical database of species involved in combustion processes is and has been available for free use for over 25 years. It was first published in print in 1984, approximately 8 years after it was first assembled, and contained 215 species at the time. This is the 7th printed edition and most likely will be the last one in print in the present format, which involves substantial manual labor. The database currently contains more than 1300 species, specifically organic molecules and radicals, but also inorganic species connected to combustion and air pollution. Since 1991 this database is freely available on the internet, at the Technion-IIT ftp server, and it is continuously expanded and corrected. The database is mirrored daily at an official mirror site, and at random at about a dozen unofficial mirror and 'finger' sites. The present edition contains numerous corrections and many recalculations of data of provisory type by the G3//B3LYP method, a high-accuracy composite ab initio calculation. About 300 species are newly calculated and are not yet published elsewhere. In anticipation of the full coupling, which is under development, the database started incorporating the available (as yet unpublished) values from Active Thermochemical Tables. The electronic version now also contains an XML file of the main database to allow transfer to other formats and ease finding specific information of interest. The database is used by scientists, educators, engineers and students at all levels, dealing primarily with combustion and air pollution, jet engines, rocket propulsion, fireworks, but also by researchers involved in upper atmosphere kinetics, astrophysics, abrasion metallurgy, etc. This introductory article contains explanations of the database and the means to use it, its sources, ways of calculation, and assessments of the accuracy of data.

  16. 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

  17. Clustering via Kernel Decomposition

    DEFF Research Database (Denmark)

    Have, Anna Szynkowiak; Girolami, Mark A.; Larsen, Jan

    2006-01-01

    Methods for spectral clustering have been proposed recently which rely on the eigenvalue decomposition of an affinity matrix. In this work it is proposed that the affinity matrix is created based on the elements of a non-parametric density estimator. This matrix is then decomposed to obtain...... posterior probabilities of class membership using an appropriate form of nonnegative matrix factorization. The troublesome selection of hyperparameters such as kernel width and number of clusters can be obtained using standard cross-validation methods as is demonstrated on a number of diverse data sets....

  18. Danburite decomposition by sulfuric acid

    International Nuclear Information System (INIS)

    Mirsaidov, U.; Mamatov, E.D.; Ashurov, N.A.

    2011-01-01

    Present article is devoted to decomposition of danburite of Ak-Arkhar Deposit of Tajikistan by sulfuric acid. The process of decomposition of danburite concentrate by sulfuric acid was studied. The chemical nature of decomposition process of boron containing ore was determined. The influence of temperature on the rate of extraction of boron and iron oxides was defined. The dependence of decomposition of boron and iron oxides on process duration, dosage of H 2 SO 4 , acid concentration and size of danburite particles was determined. The kinetics of danburite decomposition by sulfuric acid was studied as well. The apparent activation energy of the process of danburite decomposition by sulfuric acid was calculated. The flowsheet of danburite processing by sulfuric acid was elaborated.

  19. Thermal decomposition of lutetium propionate

    DEFF Research Database (Denmark)

    Grivel, Jean-Claude

    2010-01-01

    The thermal decomposition of lutetium(III) propionate monohydrate (Lu(C2H5CO2)3·H2O) in argon was studied by means of thermogravimetry, differential thermal analysis, IR-spectroscopy and X-ray diffraction. Dehydration takes place around 90 °C. It is followed by the decomposition of the anhydrous...... °C. Full conversion to Lu2O3 is achieved at about 1000 °C. Whereas the temperatures and solid reaction products of the first two decomposition steps are similar to those previously reported for the thermal decomposition of lanthanum(III) propionate monohydrate, the final decomposition...... of the oxycarbonate to the rare-earth oxide proceeds in a different way, which is here reminiscent of the thermal decomposition path of Lu(C3H5O2)·2CO(NH2)2·2H2O...

  20. Hydrogen iodide processing section in a thermochemical water-splitting iodine-sulfur process using a multistage hydrogen iodide decomposer

    International Nuclear Information System (INIS)

    Ohashi, Hirofumi; Sakaba, Nariaki; Imai, Yoshiyuki; Kubo, Shinji; Sato, Hiroyuki; Tachibana, Yukio; Kunitomi, Kazuhiko; Kato, Ryoma

    2009-01-01

    A multistage hydrogen iodide (HI) decomposer (repetition of HI decomposition reaction and removal of product iodine by a HIx solution) in a thermochemical water-splitting iodine-sulfur process for hydrogen production using high-temperature heat from the high-temperature gas-cooled reactor was numerically evaluated, especially in terms of the flow rate of undecomposed HI and product iodine at the outlet of the decomposer, in order to reduce the total heat transfer area of heat exchangers for the recycle of undecomposed HI and to eliminate components for the separation. A suitable configuration of the multistage HI decomposer was countercurrent rather than concurrent, and the HIx solution from an electro-electro dialysis at a low temperature was a favorable feed condition for the multistage HI decomposer. The flow rate of undecomposed HI and product iodine at the outlet of the multistage HI decomposer was significantly lower than that of the conventional HI decomposer, because the conversion was increased, and HI and iodine were removed by the HIx solution. Based on this result, an alternative HI processing section using the multistage HI decomposer and eliminating some recuperators, coolers, and components for the separation was proposed and evaluated. The total heat transfer area of heat exchangers in the proposed HI processing section could be reduced to less than about 1/2 that in the conventional HI processing section. (author)

  1. Method of assessing heterogeneity in images

    Science.gov (United States)

    Jacob, Richard E.; Carson, James P.

    2016-08-23

    A method of assessing heterogeneity in images is disclosed. 3D images of an object are acquired. The acquired images may be filtered and masked. Iterative decomposition is performed on the masked images to obtain image subdivisions that are relatively homogeneous. Comparative analysis, such as variogram analysis or correlogram analysis, is performed of the decomposed images to determine spatial relationships between regions of the images that are relatively homogeneous.

  2. 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.

  3. 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

  4. 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.

  5. 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

  6. Thermal energy storage using thermo-chemical heat pump

    International Nuclear Information System (INIS)

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

    2013-01-01

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

  7. 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

  8. 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.

  9. SWINE MANURE SOLIDS SEPARATION AND THERMOCHEMICAL CONVERSION TO HEAVY OIL

    Directory of Open Access Journals (Sweden)

    Shuangning Xiu

    2009-05-01

    Full Text Available Separation of solids from liquid swine manure and subsequent thermo-chemical conversion (TCC of the solids fraction into oil is one way of reducing the waste strength and odor emission. Such processing also provides a potential means of producing renewable energy from animal wastes. Gravity settling and mechanical separation techniques, by means of a centrifuge and belt press, were used to remove the solids from liquid swine manure. The solid fractions from the above separation processes were used as the feedstock for the TCC process for oil production. Experiments were conducted in a batch reactor with a steady temperature 305 oC, and the corresponding pressure was 10.34 Mpa. Gravity settling was demonstrated to be capable of increasing the total solids content of manure from 1% to 9%. Both of the mechanical separation systems were able to produce solids with dry matter around 18% for manure, with 1% to 2% initial total solids. A significant amount of volatile solid (75.7% was also obtained from the liquid fraction using the belt press process. The oil yields of shallow pit manure solids and deep pit manure solids with belt press separation were 28.72% and 29.8% of the total volatile solids, respectively. There was no visible oil product obtained from the deep pit manure solids with centrifuge separation. It is believed that it is the volatile solid content and the other components in the manure chemical composition which mainly deter-mine the oil production.

  10. 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)

  11. 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)

  12. 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...

  13. Thermodynamics and performance of the Mg-H-F system for thermochemical energy storage applications.

    Science.gov (United States)

    Tortoza, Mariana S; Humphries, Terry D; Sheppard, Drew A; Paskevicius, Mark; Rowles, Matthew R; Sofianos, M Veronica; Aguey-Zinsou, Kondo-Francois; Buckley, Craig E

    2018-01-24

    Magnesium hydride (MgH 2 ) is a hydrogen storage material that operates at temperatures above 300 °C. Unfortunately, magnesium sintering occurs above 420 °C, inhibiting its application as a thermal energy storage material. In this study, the substitution of fluorine for hydrogen in MgH 2 to form a range of Mg(H x F 1-x ) 2 (x = 1, 0.95, 0.85, 0.70, 0.50, 0) composites has been utilised to thermodynamically stabilise the material, so it can be used as a thermochemical energy storage material that can replace molten salts in concentrating solar thermal plants. These materials have been studied by in situ synchrotron X-ray diffraction, differential scanning calorimetry, thermogravimetric analysis, temperature-programmed-desorption mass spectrometry and Pressure-Composition-Isothermal (PCI) analysis. Thermal analysis has determined that the thermal stability of Mg-H-F solid solutions increases proportionally with fluorine content, with Mg(H 0.85 F 0.15 ) 2 having a maximum rate of H 2 desorption at 434 °C, with a practical hydrogen capacity of 4.6 ± 0.2 wt% H 2 (theoretical 5.4 wt% H 2 ). An extremely stable Mg(H 0.43 F 0.57 ) 2 phase is formed upon the decomposition of each Mg-H-F composition of which the remaining H 2 is not released until above 505 °C. PCI measurements of Mg(H 0.85 F 0.15 ) 2 have determined the enthalpy (ΔH des ) to be 73.6 ± 0.2 kJ mol -1 H 2 and entropy (ΔS des ) to be 131.2 ± 0.2 J K -1 mol -1 H 2 , which is slightly lower than MgH 2 with ΔH des of 74.06 kJ mol -1 H 2 and ΔS des = 133.4 J K -1 mol -1 H 2 . Cycling studies of Mg(H 0.85 F 0.15 ) 2 over six absorption/desorption cycles between 425 and 480 °C show an increased usable cycling temperature of ∼80 °C compared to bulk MgH 2 , increasing the thermal operating temperatures for technological applications.

  14. Advanced construction materials for thermo-chemical hydrogen production from VHTR process heat

    International Nuclear Information System (INIS)

    Kosmidou, Theodora; Haehner, Peter

    2009-01-01

    The (very) high temperature reactor concept ((V)HTR) is characterized by its potential for process heat applications. The production of hydrogen by means of thermo-chemical cycles is an appealing example, since it is more efficient than electrolysis due to the direct use of process heat. The sulfur-iodine cycle is one of the best studied processes for the production of hydrogen, and solar or nuclear energy can be used as a heating source for the high temperature reaction of this process. The chemical reactions involved in the cycle are: I 2 (l) + SO 2 (g) +2 H 2 O (l) → 2HI (l) + H 2 SO 4 (l) (70-120 deg. C); H 2 SO 4 (l) → H 2 O (l) + SO 2 (g) + 1/2 O 2 (g) (800-900 deg. C); 2HI (l) → I 2 (g) + H 2 (g) (300-450 deg. C) The high temperature decomposition of sulphuric acid, which is the most endothermic reaction, results in a very aggressive chemical environment which is why suitable materials for the decomposer heat exchanger have to be identified. The class of candidate materials for the decomposer is based on SiC. In the current study, SiC based materials were tested in order to determine the residual mechanical properties (flexural strength and bending modulus, interfacial strength of brazed joints), after exposure to an SO 2 rich environment, simulating the conditions in the hydrogen production plant. Brazed SiC specimens were tested after 20, 100, 500 and 1000 hrs exposure to SO 2 rich environment at 850 o C under atmospheric pressure. The gas composition in the corrosion rig was: 9.9 H 2 O, 12.25 SO 2 , 6.13 O 2 , balance N 2 (% mol). The characterization involved: weight change monitoring, SEM microstructural analysis and four-point bending tests after exposure. Most of the specimens gained weight due to the formation of a corrosion layer as observed in the SEM. The corrosion treatment also showed an effect on the mechanical properties. In the four-point bending tests performed at room temperature and at 850 deg. C, a decrease in bending modulus with

  15. Proton mass decomposition

    Science.gov (United States)

    Yang, Yi-Bo; Chen, Ying; Draper, Terrence; Liang, Jian; Liu, Keh-Fei

    2018-03-01

    We report the results on the proton mass decomposition and also on the related quark and glue momentum fractions. The results are based on overlap valence fermions on four ensembles of Nf = 2 + 1 DWF configurations with three lattice spacings and volumes, and several pion masses including the physical pion mass. With 1-loop pertur-bative calculation and proper normalization of the glue operator, we find that the u, d, and s quark masses contribute 9(2)% to the proton mass. The quark energy and glue field energy contribute 31(5)% and 37(5)% respectively in the MS scheme at µ = 2 GeV. The trace anomaly gives the remaining 23(1)% contribution. The u, d, s and glue momentum fractions in the MS scheme are consistent with the global analysis at µ = 2 GeV.

  16. Erbium hydride decomposition kinetics.

    Energy Technology Data Exchange (ETDEWEB)

    Ferrizz, Robert Matthew

    2006-11-01

    Thermal desorption spectroscopy (TDS) is used to study the decomposition kinetics of erbium hydride thin films. The TDS results presented in this report are analyzed quantitatively using Redhead's method to yield kinetic parameters (E{sub A} {approx} 54.2 kcal/mol), which are then utilized to predict hydrogen outgassing in vacuum for a variety of thermal treatments. Interestingly, it was found that the activation energy for desorption can vary by more than 7 kcal/mol (0.30 eV) for seemingly similar samples. In addition, small amounts of less-stable hydrogen were observed for all erbium dihydride films. A detailed explanation of several approaches for analyzing thermal desorption spectra to obtain kinetic information is included as an appendix.

  17. Art of spin decomposition

    International Nuclear Information System (INIS)

    Chen Xiangsong; Sun Weimin; Wang Fan; Goldman, T.

    2011-01-01

    We analyze the problem of spin decomposition for an interacting system from a natural perspective of constructing angular-momentum eigenstates. We split, from the total angular-momentum operator, a proper part which can be separately conserved for a stationary state. This part commutes with the total Hamiltonian and thus specifies the quantum angular momentum. We first show how this can be done in a gauge-dependent way, by seeking a specific gauge in which part of the total angular-momentum operator vanishes identically. We then construct a gauge-invariant operator with the desired property. Our analysis clarifies what is the most pertinent choice among the various proposals for decomposing the nucleon spin. A similar analysis is performed for extracting a proper part from the total Hamiltonian to construct energy eigenstates.

  18. Decomposition methods for unsupervised learning

    DEFF Research Database (Denmark)

    Mørup, Morten

    2008-01-01

    This thesis presents the application and development of decomposition methods for Unsupervised Learning. It covers topics from classical factor analysis based decomposition and its variants such as Independent Component Analysis, Non-negative Matrix Factorization and Sparse Coding...... methods and clustering problems is derived both in terms of classical point clustering but also in terms of community detection in complex networks. A guiding principle throughout this thesis is the principle of parsimony. Hence, the goal of Unsupervised Learning is here posed as striving for simplicity...... in the decompositions. Thus, it is demonstrated how a wide range of decomposition methods explicitly or implicitly strive to attain this goal. Applications of the derived decompositions are given ranging from multi-media analysis of image and sound data, analysis of biomedical data such as electroencephalography...

  19. CATALYSTS NHI Thermochemical Systems FY 2009 Year-End Report

    International Nuclear Information System (INIS)

    Ginosar, Daniel M.

    2009-01-01

    Fiscal Year 2009 work in the Catalysts project focused on advanced catalysts for the decomposition of sulfuric acid, a reaction common to both the Sulfur-Iodine (S-I) cycle and the Hybrid Sulfur cycle. Prior years effort in this project has found that although platinum supported on titanium oxide will be an acceptable catalyst for sulfuric acid decomposition in the integrated laboratory scale (ILS) project, the material has short comings, including significant cost and high deactivation rates due to sintering and platinum evaporation. For pilot and larger scale systems, the catalyst stability needs to be improved significantly. In Fiscal Year 2008 it was found that at atmospheric pressure, deactivation rates of a 1 wt% platinum catalyst could be reduced by 300% by adding either 0.3 wt% iridium (Ir) or 0.3 wt% ruthenium (Ru) to the catalyst. In Fiscal Year 2009, work focused on examining the platinum group metal catalysts activity and stability at elevated pressures. In addition, simple and complex metal oxides are known to catalyze the sulfuric acid decomposition reaction. These metal oxides could offer activities comparable to platinum but at significantly reduced cost. Thus a second focus for Fiscal Year 2009 was to explore metal oxide catalysts for the sulfuric acid decomposition reaction. In Fiscal Year 2007 several commercial activated carbons had been identified for the HI decomposition reaction; a reaction specific to the S-I cycle. Those materials should be acceptable for the pilot scale project. The activated carbon catalysts have some disadvantages including low activity at the lower range of reactor operating temperature (350 to 400 C) and a propensity to generate carbon monoxide in the presence of water that could contaminate the hydrogen product, but due to limited funding, this area had low priority in Fiscal Year 2009. Fiscal Year 2009 catalyst work included five tasks: development, and testing of stabilized platinum based H2SO4 catalysts

  20. 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.

  1. 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

  2. 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

  3. 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

  4. Thermochemical sulphate reduction can improve carbonate petroleum reservoir quality

    Science.gov (United States)

    Jiang, Lei; Worden, Richard H.; Yang, Changbing

    2018-02-01

    Interest in the creation of secondary pore spaces in petroleum reservoirs has increased because of a need to understand deeper and more complex reservoirs. The creation of new secondary porosity that enhances overall reservoir quality in deeply buried carbonate reservoirs is controversial and some recent studies have concluded it is not an important phenomenon. Here we present petrography, geochemistry, fluid inclusion data, and fluid-rock interaction reaction modeling results from Triassic Feixianguan Formation, Sichuan Basin, China, core samples and explore the relative importance of secondary porosity due to thermochemical sulphate reduction (TSR) during deep burial diagenesis. We find that new secondary pores result from the dissolution of anhydrite and possibly from dissolution of the matrix dolomite. Assuming porosity before TSR was 16% and the percentage of anhydrite was 6%, modelling shows that, due to TSR, 1.6% additional porosity was created that led to permeability increasing from 110 mD (range 72-168 mD within a 95% confidence interval) to 264 mD (range 162-432 mD within a 95% confidence interval). Secondary porosity results from the density differences between reactant anhydrite and product calcite, the addition of new water during TSR, and the generation of acidity during the reaction of new H2S with the siderite component in pre-existing dolomite in the reservoir. Fluid pressure was high during TSR, and approached lithostatic pressure in some samples; this transient overpressure may have led to the maintenance of porosity due to the inhibition of compactional processes. An additional 1.6% porosity is significant for reserve calculations, especially considering that it occurs in conjunction with elevated permeability that results in faster flow rates to the production wells.

  5. Thermal decomposition of sewage sludge under N2, CO2 and air: Gas characterization and kinetic analysis.

    Science.gov (United States)

    Hernández, Ana Belén; Okonta, Felix; Freeman, Ntuli

    2017-07-01

    Thermochemical valorisation processes that allow energy to be recovered from sewage sludge, such as pyrolysis and gasification, have demonstrated great potential as convenient alternatives to conventional sewage sludge disposal technologies. Moreover, these processes may benefit from CO 2 recycling. Today, the scaling up of these technologies requires an advanced knowledge of the reactivity of sewage sludge and the characteristics of the products, specific to the thermochemical process. In this study the behaviour of sewage sludge during thermochemical conversion, under different atmospheres (N 2 , CO 2 and air), was studied, using TGA-FTIR, in order to understand the effects of different atmospheric gases on the kinetics of degradation and on the gaseous products. The different steps observed during the solid degradation were related with the production of different gaseous compounds. A higher oxidative degree of the atmosphere surrounding the sample resulted in higher reaction rates and a shift of the degradation mechanisms to lower temperatures, especially for the mechanisms taking place at temperatures above 400 °C. Finally, a multiple first-order reaction model was proposed to compare the kinetic parameters obtained under different atmospheres. Overall, the highest activation energies were obtained for combustion. This work proves that CO 2 , an intermediate oxidative atmosphere between N 2 and air, results in an intermediate behaviour (intermediate peaks in the derivative thermogravimetric curves and intermediate activation energies) during the thermochemical decomposition of sewage sludge. Overall, it can be concluded that the kinetics of these different processes require a different approach for their scaling up and specific consideration of their characteristic reaction temperatures and rates should be evaluated. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. Danburite decomposition by hydrochloric acid

    International Nuclear Information System (INIS)

    Mamatov, E.D.; Ashurov, N.A.; Mirsaidov, U.

    2011-01-01

    Present article is devoted to decomposition of danburite of Ak-Arkhar Deposit of Tajikistan by hydrochloric acid. The interaction of boron containing ores of Ak-Arkhar Deposit of Tajikistan with mineral acids, including hydrochloric acid was studied. The optimal conditions of extraction of valuable components from danburite composition were determined. The chemical composition of danburite of Ak-Arkhar Deposit was determined as well. The kinetics of decomposition of calcined danburite by hydrochloric acid was studied. The apparent activation energy of the process of danburite decomposition by hydrochloric acid was calculated.

  7. AUTONOMOUS GAUSSIAN DECOMPOSITION

    Energy Technology Data Exchange (ETDEWEB)

    Lindner, Robert R.; Vera-Ciro, Carlos; Murray, Claire E.; Stanimirović, Snežana; Babler, Brian [Department of Astronomy, University of Wisconsin, 475 North Charter Street, Madison, WI 53706 (United States); Heiles, Carl [Radio Astronomy Lab, UC Berkeley, 601 Campbell Hall, Berkeley, CA 94720 (United States); Hennebelle, Patrick [Laboratoire AIM, Paris-Saclay, CEA/IRFU/SAp-CNRS-Université Paris Diderot, F-91191 Gif-sur Yvette Cedex (France); Goss, W. M. [National Radio Astronomy Observatory, P.O. Box O, 1003 Lopezville, Socorro, NM 87801 (United States); Dickey, John, E-mail: rlindner@astro.wisc.edu [University of Tasmania, School of Maths and Physics, Private Bag 37, Hobart, TAS 7001 (Australia)

    2015-04-15

    We present a new algorithm, named Autonomous Gaussian Decomposition (AGD), for automatically decomposing spectra into Gaussian components. AGD uses derivative spectroscopy and machine learning to provide optimized guesses for the number of Gaussian components in the data, and also their locations, widths, and amplitudes. We test AGD and find that it produces results comparable to human-derived solutions on 21 cm absorption spectra from the 21 cm SPectral line Observations of Neutral Gas with the EVLA (21-SPONGE) survey. We use AGD with Monte Carlo methods to derive the H i line completeness as a function of peak optical depth and velocity width for the 21-SPONGE data, and also show that the results of AGD are stable against varying observational noise intensity. The autonomy and computational efficiency of the method over traditional manual Gaussian fits allow for truly unbiased comparisons between observations and simulations, and for the ability to scale up and interpret the very large data volumes from the upcoming Square Kilometer Array and pathfinder telescopes.

  8. AUTONOMOUS GAUSSIAN DECOMPOSITION

    International Nuclear Information System (INIS)

    Lindner, Robert R.; Vera-Ciro, Carlos; Murray, Claire E.; Stanimirović, Snežana; Babler, Brian; Heiles, Carl; Hennebelle, Patrick; Goss, W. M.; Dickey, John

    2015-01-01

    We present a new algorithm, named Autonomous Gaussian Decomposition (AGD), for automatically decomposing spectra into Gaussian components. AGD uses derivative spectroscopy and machine learning to provide optimized guesses for the number of Gaussian components in the data, and also their locations, widths, and amplitudes. We test AGD and find that it produces results comparable to human-derived solutions on 21 cm absorption spectra from the 21 cm SPectral line Observations of Neutral Gas with the EVLA (21-SPONGE) survey. We use AGD with Monte Carlo methods to derive the H i line completeness as a function of peak optical depth and velocity width for the 21-SPONGE data, and also show that the results of AGD are stable against varying observational noise intensity. The autonomy and computational efficiency of the method over traditional manual Gaussian fits allow for truly unbiased comparisons between observations and simulations, and for the ability to scale up and interpret the very large data volumes from the upcoming Square Kilometer Array and pathfinder telescopes

  9. Canonical decomposition of magnetotelluric responses: Experiment on 1D anisotropic structures

    Science.gov (United States)

    Guo, Ze-qiu; Wei, Wen-bo; Ye, Gao-feng; Jin, Sheng; Jing, Jian-en

    2015-08-01

    Horizontal electrical heterogeneity of subsurface earth is mostly originated from structural complexity and electrical anisotropy, and local near-surface electrical heterogeneity will severely distort regional electromagnetic responses. Conventional distortion analyses for magnetotelluric soundings are primarily physical decomposition methods with respect to isotropic models, which mostly presume that the geoelectric distribution of geological structures is of local and regional patterns represented by 3D/2D models. Due to the widespread anisotropy of earth media, the confusion between 1D anisotropic responses and 2D isotropic responses, and the defects of physical decomposition methods, we propose to conduct modeling experiments with canonical decomposition in terms of 1D layered anisotropic models, and the method is one of the mathematical decomposition methods based on eigenstate analyses differentiated from distortion analyses, which can be used to recover electrical information such as strike directions, and maximum and minimum conductivity. We tested this method with numerical simulation experiments on several 1D synthetic models, which turned out that canonical decomposition is quite effective to reveal geological anisotropic information. Finally, for the background of anisotropy from previous study by geological and seismological methods, canonical decomposition is applied to real data acquired in North China Craton for 1D anisotropy analyses, and the result shows that, with effective modeling and cautious interpretation, canonical decomposition could be another good method to detect anisotropy of geological media.

  10. 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.

  11. 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)

  12. Thermochemical properties of rare earth complexes with salicylic acid

    International Nuclear Information System (INIS)

    Yang Xuwu; Sun Wujuan; Ke Congyu; Zhang Hangguo; Wang Xiaoyan; Gao Shengli

    2007-01-01

    Fourteen rare earth complexes with salicylic acid RE(HSal) 3 .nH 2 O (HSal = C 7 H 5 O 3 ; RE = La-Sm, n = 2; RE = Eu-Lu, n = 1) were synthesized and characterized by elemental analysis, and their thermal decomposition mechanism were studied with TG-DTG technology. The constant-volume combustion energies of complexes, Δ c U, were determined by a precise rotating-bomb calorimeter at 298.15 K. Their standard molar enthalpies of combustion, Δ c H m 0 , and standard molar enthalpies of formation, Δ f H m o , were calculated

  13. 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.

  14. NRSA enzyme decomposition model data

    Data.gov (United States)

    U.S. Environmental Protection Agency — Microbial enzyme activities measured at more than 2000 US streams and rivers. These enzyme data were then used to predict organic matter decomposition and microbial...

  15. Some nonlinear space decomposition algorithms

    Energy Technology Data Exchange (ETDEWEB)

    Tai, Xue-Cheng; Espedal, M. [Univ. of Bergen (Norway)

    1996-12-31

    Convergence of a space decomposition method is proved for a general convex programming problem. The space decomposition refers to methods that decompose a space into sums of subspaces, which could be a domain decomposition or a multigrid method for partial differential equations. Two algorithms are proposed. Both can be used for linear as well as nonlinear elliptic problems and they reduce to the standard additive and multiplicative Schwarz methods for linear elliptic problems. Two {open_quotes}hybrid{close_quotes} algorithms are also presented. They converge faster than the additive one and have better parallelism than the multiplicative method. Numerical tests with a two level domain decomposition for linear, nonlinear and interface elliptic problems are presented for the proposed algorithms.

  16. 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

  17. 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.

  18. 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.

  19. REITP3-Hazard evaluation program for heat release based on thermochemical calculation

    Energy Technology Data Exchange (ETDEWEB)

    Akutsu, Yoshiaki.; Tamura, Masamitsu. [The University of Tokyo, Tokyo (Japan). School of Engineering; Kawakatsu, Yuichi. [Oji Paper Corp., Tokyo (Japan); Wada, Yuji. [National Institute for Resources and Environment, Tsukuba (Japan); Yoshida, Tadao. [Hosei University, Tokyo (Japan). College of Engineering

    1999-06-30

    REITP3-A hazard evaluation program for heat release besed on thermochemical calculation has been developed by modifying REITP2 (Revised Estimation of Incompatibility from Thermochemical Properties{sup 2)}. The main modifications are as follows. (1) Reactants are retrieved from the database by chemical formula. (2) As products are listed in an external file, the addition of products and change in order of production can be easily conducted. (3) Part of the program has been changed by considering its use on a personal computer or workstation. These modifications will promote the usefulness of the program for energy hazard evaluation. (author)

  20. 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)

  1. 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

  2. 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)

  3. 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

  4. Renewable energy from corn residues by thermochemical conversion

    Science.gov (United States)

    Yu, Fei

    Declining fossil oil reserve, skyrocket price, unsecured supplies, and environment pollution are among the many energy problems we are facing today. It is our conviction that renewable energy is a solution to these problems. The long term goal of the proposed research is to develop commercially practical technologies to produce energy from renewable resources. The overall objective of my research is to study and develop thermochemical processes for converting bulky and low-energy-density biomass materials into bio-fuels and value-added bio-products. The rationale for the proposed research is that, once such processes are developed, processing facility can be set up on or near biomass product sites, reducing the costs associated with transport of bulky biomass which is a key technical barrier to biomass conversion. In my preliminary research, several conversion technologies including atmospheric pressure liquefaction, high pressure liquefaction, and microwave pyrolysis have been evaluated. Our data indicated that microwave pyrolysis had the potential to become a simple and economically viable biomass conversion technology. Microwave pyrolysis is an innovative process that provides efficient and uniform heating, and are robust to type, size and uniformity of feedstock and therefore suitable for almost any waste materials without needing to reduce the particle size. The proposed thesis focused on in-depth investigations of microwave pyrolysis of corn residues. My first specific aim was to examine the effects of processing parameters on product yields. The second specific research aim was to characterize the products (gases, bio-oils, and solid residues), which was critical to process optimization and product developments. Other research tasks included conducting kinetic modeling and preliminary mass and energy balance. This study demonstrated that microwave pyrolysis could be optimized to produce high value syngas, liquid fuels and pyrolytic carbons, and had a great

  5. Thermochemical properties for isooctane and carbon radicals: computational study.

    Science.gov (United States)

    Snitsiriwat, Suarwee; Bozzelli, Joseph W

    2013-01-17

    Thermochemical properties for isooctane, its internal rotation conformers, and radicals with corresponding bond energies are determined by use of computational chemistry. Enthalpies of formation are determined using isodesmic reactions with B3LYP density function theory and composite CBS-QB3 methods. Application of group additivity with comparison to calculated values is illustrated. Entropy and heat capacities are determined using geometric parameters, internal rotor potentials, and frequencies from B3LYP/6-31G(d,p) calculations for the lowest energy conformer. Internal rotor potentials are determined for the isooctane parent and for the primary, secondary, and tertiary radicals in order to identify isomer energies. Intramolecular interactions are shown to have a significant effect on the enthalpy of formation of the isooctane parent and its radicals. The computed standard enthalpy of formation for the lowest energy conformers of isooctane from this study is -54.40 ± 1.60 kcal mol(-1), which is 0.8 kcal mol(-1) lower than the evaluated experimental value -53.54 ± 0.36 kcal mol(-1). The standard enthalpy of formation for the primary radical for a methyl on the quaternary carbon is -5.00 ± 1.69 kcal mol(-1), for the primary radical on the tertiary carbon is -5.18 ± 1.69 kcal mol(-1), for the secondary isooctane radical is -9.03 ± 1.84 kcal mol(-1), and for the tertiary isooctane radical is -12.30 ± 2.02 kcal mol(-1). Bond energy values for the isooctane radicals are 100.64 ± 1.73, 100.46 ± 1.73, 96.41 ± 1.88 and 93.14 ± 2.05 kcal mol(-1) for C3•CCCC2, C3CCCC2•, C3CC•CC2, and C3CCC•C2, respectively. Entropy and heat capacity values are reported for the lowest energy homologues.

  6. Analysis of the hybrid copper oxide-copper sulfate cycle for the thermochemical splitting of water for hydrogen production

    International Nuclear Information System (INIS)

    Gonzales, Ross B.; Law, Victor J.; Prindle, John C.

    2009-01-01

    The hybrid copper oxide-copper sulfate water-splitting thermochemical cycle involves two principal steps: (1) hydrogen production from the electrolysis of water, SO 2 (g) and CuO(s) at room temperature and (2) the thermal decomposition of the CuSO 4 product to form oxygen and SO 2 , which is recycled to the first step. A four-reaction version of the cycle (known in the literature as Cycle H-5) was used as the basis of the present work. For several of the four reactions, a rotating batch reactor sequence is proposed in order to overcome equilibrium limitations. Pinch technology was used to optimize heat integration. Sensitivity analyses revealed it to be economically more attractive to use a 10 C approach to minimize heat loss (rather than 20 C). Using standard Aspen Plus features and the Peng-Robinson equation of state for separations involving oxygen and sulfur oxides, a proposed flowsheet for the cycle was generated to yield ''Level 3'' results. A cost analysis of the designed plant (producing 100 million kmol/yr hydrogen) indicates a total major equipment cost of approximately $45 million. This translates to a turnkey plant price (excluding the cost of the high-temperature heat source or electrolyzer internals) of approximately $360 million. Based on a $2.50/kg selling price for hydrogen, gross annual revenue could be on the order of $500 million, resulting in a reasonable payback period when all capital and operating costs are considered. Previous efficiency estimates using Level 1 and Level 2 methods gave the process efficiency in the neighborhood of 47-48%. The Level 3 efficiency computation was 24-25% depending on the approach temperature used for recuperation. If the low quality heat rejected by the process can be recovered and used elsewhere, the Level 3 analysis could be as high as 51-53%. (author)

  7. Real interest parity decomposition

    Directory of Open Access Journals (Sweden)

    Alex Luiz Ferreira

    2009-09-01

    Full Text Available The aim of this paper is to investigate the general causes of real interest rate differentials (rids for a sample of emerging markets for the period of January 1996 to August 2007. To this end, two methods are applied. The first consists of breaking the variance of rids down into relative purchasing power pariety and uncovered interest rate parity and shows that inflation differentials are the main source of rids variation; while the second method breaks down the rids and nominal interest rate differentials (nids into nominal and real shocks. Bivariate autoregressive models are estimated under particular identification conditions, having been adequately treated for the identified structural breaks. Impulse response functions and error variance decomposition result in real shocks as being the likely cause of rids.O objetivo deste artigo é investigar as causas gerais dos diferenciais da taxa de juros real (rids para um conjunto de países emergentes, para o período de janeiro de 1996 a agosto de 2007. Para tanto, duas metodologias são aplicadas. A primeira consiste em decompor a variância dos rids entre a paridade do poder de compra relativa e a paridade de juros a descoberto e mostra que os diferenciais de inflação são a fonte predominante da variabilidade dos rids; a segunda decompõe os rids e os diferenciais de juros nominais (nids em choques nominais e reais. Sob certas condições de identificação, modelos autorregressivos bivariados são estimados com tratamento adequado para as quebras estruturais identificadas e as funções de resposta ao impulso e a decomposição da variância dos erros de previsão são obtidas, resultando em evidências favoráveis a que os choques reais são a causa mais provável dos rids.

  8. 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

  9. The Conceptual Design of an Integrated Nuclearhydrogen Production Plant Using the Sulfur Cycle Water Decomposition System

    Science.gov (United States)

    Farbman, G. H.

    1976-01-01

    A hydrogen production plant was designed based on a hybrid electrolytic-thermochemical process for decomposing water. The sulfur cycle water decomposition system is driven by a very high temperature nuclear reactor that provides 1,283 K helium working gas. The plant is sized to approximately ten million standard cubic meters per day of electrolytically pure hydrogen and has an overall thermal efficiently of 45.2 percent. The economics of the plant were evaluated using ground rules which include a 1974 cost basis without escalation, financing structure and other economic factors. Taking into account capital, operation, maintenance and nuclear fuel cycle costs, the cost of product hydrogen was calculated at $5.96/std cu m for utility financing. These values are significantly lower than hydrogen costs from conventional water electrolysis plants and competitive with hydrogen from coal gasification plants.

  10. 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

  11. 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

  12. 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...

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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.

  18. 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

  19. 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…

  20. 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.

  1. 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...

  2. 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

  3. 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

  4. 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…

  5. Thermochemical and structural changes in Jatropha curcas seed cake during torrefaction for its use as coal co-firing feedstock

    International Nuclear Information System (INIS)

    Madanayake, Buddhike Neminda; Gan, Suyin; Eastwick, Carol; Ng, Hoon Kiat

    2016-01-01

    Jatropha curcas seed cake is a viable feedstock for co-firing with coal as it has the advantages of being renewable, carbon-neutral and sourced from a versatile plant. Torrefaction, a mild pyrolysis treatment by heating in a N_2 atmosphere, was investigated as a technique to improve the thermochemical properties of the biomass, primarily the HHV (higher heating value). The temperature and holding time were varied in the ranges of 200–300 °C and 0–60 min, respectively, to form a 5-level full-factorial experimental matrix. An optimum envelope of torrefaction parameters was identified in the range of 280 °C to >45 min at 220–250 °C under a heating rate of 10 °C/min. This results in an enhancement of the HHV from 24 MJ/kg to more than 27 MJ/kg, which is within the range of coal, while maintaining an energy yield higher than 90%. The relationships between the HHV and the proximate fixed carbon content as well as the elemental CHO content were also investigated. Through "1"3C NMR (nuclear magnetic resonance) spectroscopy, hemicellulose was determined as the most volatile component, undergoing decomposition before 250 °C while cellulose only degraded fully in the 250–300 °C range and lignin decomposition spanned from 200 °C to beyond 300 °C. - Highlights: • The optimum parameters ranged from 280 °C to >45 min at 220–250 °C. • In this range, the higher heating value was enhanced by 20% to 27 MJ/kg. • A positive correlation exists between the HHV and the fixed carbon content. • H/C and O/C ratios of the biomass shifted towards those of coal. • Degradation of hemicellulose, cellulose and lignin components was investigated.

  6. A 2D nickel-based energetic MOFs incorporating 3,5-diamino-1,2,4-triazole and malonic acid: Synthesis, crystal structure and thermochemical study

    International Nuclear Information System (INIS)

    Yang, Qi; Song, Xiaxia; Ge, Jing; Zhao, Guowei; Zhang, Wendou; Xie, Gang; Chen, Sanping; Gao, Shengli

    2016-01-01

    Highlights: • An energetic MOFs with dinuclear nickel unit has been synthesized and characterized. • The Arrhenius equation, derived from kinetics analysis, is ln k = 55.89 − 332.01 × 10 3 /RT. • The standard molar enthalpy of formation of the compound is determined by a thermochemical cycle. • The molar heat capacity at T = 298.15 K is determined to be 1.42 ± 0.11 J · K −1 · g −1 . - Abstract: A new energetic MOFs, {[Ni 2 (C 2 H 5 N 5 ) 2 (C 3 H 2 O 4 ) 2 (H 2 O)]·3H 2 O} n (Hdatrz (C 2 H 5 N 5 ) = 3,5-diamino-1,2,4-triazole, H 2 mal (C 3 H 4 O 4 ) = malonic acid), has been synthesized and characterized by element analysis, chemical analysis, IR spectroscopy, single-crystal X-ray diffraction and thermal analysis. X-ray diffraction analysis confirmed that the compound featured a 2D layer structure with dinuclear Ni(II) unit. Thermal analysis demonstrated that the compound after dehydration have good thermostability with decomposition temperature up to 633 K. The non-isothermal kinetics for the compound was studied by Kissinger’s and Ozawa’s methods. The Arrhenius equation of initial thermal decomposition process of compound can be expressed as ln k = 55.89 − 332.01 × 10 3 /RT. Furthermore, a reasonable thermochemical cycle was designed based on the preparation reaction of the compound, and standard molar enthalpy of dissolution of reactants and products were measured by RD496-2000 calorimeter. Finally, the standard molar enthalpy of formation of the compound was determined to be −(2766.3 ± 2.3) kJ · mol −1 in accordance with Hess’s law. In addition, the specific heat capacity of the compound at T = 298.15 K was determined to be 1.42 ± 0.11 J · K −1 · g −1 by RD496-2000 calorimeter.

  7. Patched bimetallic surfaces are active catalysts for ammonia decomposition.

    Science.gov (United States)

    Guo, Wei; Vlachos, Dionisios G

    2015-10-07

    Ammonia decomposition is often used as an archetypical reaction for predicting new catalytic materials and understanding the very reason of why some reactions are sensitive on material's structure. Core-shell or surface-segregated bimetallic nanoparticles expose outstanding activity for many heterogeneously catalysed reactions but the reasons remain elusive owing to the difficulties in experimentally characterizing active sites. Here by performing multiscale simulations in ammonia decomposition on various nickel loadings on platinum (111), we show that the very high activity of core-shell structures requires patches of the guest metal to create and sustain dual active sites: nickel terraces catalyse N-H bond breaking and nickel edge sites drive atomic nitrogen association. The structure sensitivity on these active catalysts depends profoundly on reaction conditions due to kinetically competing relevant elementary reaction steps. We expose a remarkable difference in active sites between transient and steady-state studies and provide insights into optimal material design.

  8. On the hadron mass decomposition

    Science.gov (United States)

    Lorcé, Cédric

    2018-02-01

    We argue that the standard decompositions of the hadron mass overlook pressure effects, and hence should be interpreted with great care. Based on the semiclassical picture, we propose a new decomposition that properly accounts for these pressure effects. Because of Lorentz covariance, we stress that the hadron mass decomposition automatically comes along with a stability constraint, which we discuss for the first time. We show also that if a hadron is seen as made of quarks and gluons, one cannot decompose its mass into more than two contributions without running into trouble with the consistency of the physical interpretation. In particular, the so-called quark mass and trace anomaly contributions appear to be purely conventional. Based on the current phenomenological values, we find that in average quarks exert a repulsive force inside nucleons, balanced exactly by the gluon attractive force.

  9. On the hadron mass decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Lorce, Cedric [Universite Paris-Saclay, Centre de Physique Theorique, Ecole Polytechnique, CNRS, Palaiseau (France)

    2018-02-15

    We argue that the standard decompositions of the hadron mass overlook pressure effects, and hence should be interpreted with great care. Based on the semiclassical picture, we propose a new decomposition that properly accounts for these pressure effects. Because of Lorentz covariance, we stress that the hadron mass decomposition automatically comes along with a stability constraint, which we discuss for the first time. We show also that if a hadron is seen as made of quarks and gluons, one cannot decompose its mass into more than two contributions without running into trouble with the consistency of the physical interpretation. In particular, the so-called quark mass and trace anomaly contributions appear to be purely conventional. Based on the current phenomenological values, we find that in average quarks exert a repulsive force inside nucleons, balanced exactly by the gluon attractive force. (orig.)

  10. Activity of iridium-ruthenium and iridium-rhodium adsorption catalysts in decomposition of hydrogen peroxide

    Energy Technology Data Exchange (ETDEWEB)

    Zubovich, I A; Mikhaylov, V A; Migulina, N N [Yaroslavskij Politekhnicheskij Inst. (USSR)

    1976-06-01

    Experimental data for the activities of iridium-ruthenium and iridium-rhodium adsorption catalysts in the decomposition of hydrogen peroxide are considered and the results of magnetic susceptibility measurements are presented. It is concluded that surface structures (complexes) may be formed and that micro-electronic feaures play a role in heterogeneous catalysis.

  11. Abstract decomposition theorem and applications

    CERN Document Server

    Grossberg, R; Grossberg, Rami; Lessmann, Olivier

    2005-01-01

    Let K be an Abstract Elementary Class. Under the asusmptions that K has a nicely behaved forking-like notion, regular types and existence of some prime models we establish a decomposition theorem for such classes. The decomposition implies a main gap result for the class K. The setting is general enough to cover \\aleph_0-stable first-order theories (proved by Shelah in 1982), Excellent Classes of atomic models of a first order tehory (proved Grossberg and Hart 1987) and the class of submodels of a large sequentially homogenuus \\aleph_0-stable model (which is new).

  12. Kinetic study of the thermal decomposition of uranium metaphosphate, U(PO{sub 3}){sub 4}, into uranium pyrophosphate, UP{sub 2}O{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Hee-Chul, E-mail: nhcyang@kaeri.re.kr; Kim, Hyung-Ju; Lee, Si-Young; Yang, In-Hwan; Chung, Dong-Yong

    2017-06-15

    The thermochemical properties of uranium compounds have attracted much interest in relation to thermochemical treatments and the safe disposal of radioactive waste bearing uranium compounds. The characteristics of the thermal decomposition of uranium metaphosphate, U(PO{sub 3}){sub 4}, into uranium pyrophosphate, UP{sub 2}O{sub 7}, have been studied from the view point of reaction kinetics and acting mechanisms. A mixture of U(PO{sub 3}){sub 4} and UP{sub 2}O{sub 7} was prepared from the pyrolysis residue of uranium-bearing spent TBP. A kinetic analysis of the reaction of U(PO{sub 3}){sub 4} into UP{sub 2}O{sub 7} was conducted using an isoconversional method and a master plot method on the basis of data from a non-isothermal thermogravimetric analysis. The thermal decomposition of U(PO{sub 3}){sub 4} into UP{sub 2}O{sub 7} followed a single-step reaction with an activation energy of 175.29 ± 1.58 kJ mol{sup −1}. The most probable kinetic model was determined as a type of nucleation and nuclei-growth models, the Avrami-Erofeev model (A3), which describes that there are certain restrictions on nuclei growth of UP{sub 2}O{sub 7} during the solid-state decomposition of U(PO{sub 3}){sub 4}. - Highlights: •Thermal decomposition kinetics of U(PO{sub 3}){sub 4} into UP{sub 2}O{sub 7} was investigated. •The thermal decomposition followed a single-step reaction with an activation energy of 175.3 ± 1.6 kJ mol{sup −1}. •The most probable kinetic model was determined as a type of nucleation and nuclei-growth models, the Avrami-Erofeev (A3).

  13. Thermal decomposition of biphenyl (1963); Decomposition thermique du biphenyle (1963)

    Energy Technology Data Exchange (ETDEWEB)

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

    1962-06-15

    The rates of formation of the decomposition products of biphenyl; hydrogen, methane, ethane, ethylene, as well as triphenyl have been measured in the vapour and liquid phases at 460 deg. C. The study of the decomposition products of biphenyl at different temperatures between 400 and 460 deg. C has provided values of the activation energies of the reactions yielding the main products of pyrolysis in the vapour phase. Product and Activation energy: Hydrogen 73 {+-} 2 kCal/Mole; Benzene 76 {+-} 2 kCal/Mole; Meta-triphenyl 53 {+-} 2 kCal/Mole; Biphenyl decomposition 64 {+-} 2 kCal/Mole; The rate of disappearance of biphenyl is only very approximately first order. These results show the major role played at the start of the decomposition by organic impurities which are not detectable by conventional physico-chemical analysis methods and the presence of which accelerates noticeably the decomposition rate. It was possible to eliminate these impurities by zone-melting carried out until the initial gradient of the formation curves for the products became constant. The composition of the high-molecular weight products (over 250) was deduced from the mean molecular weight and the dosage of the aromatic C - H bonds by infrared spectrophotometry. As a result the existence in tars of hydrogenated tetra, penta and hexaphenyl has been demonstrated. (author) [French] Les vitesses de formation des produits de decomposition du biphenyle: hydrogene, methane, ethane, ethylene, ainsi que des triphenyles, ont ete mesurees en phase vapeur et en phase liquide a 460 deg. C. L'etude des produits de decomposition du biphenyle a differentes temperatures comprises entre 400 et 460 deg. C, a fourni les valeurs des energies d'activation des reactions conduisant aux principaux produits de la pyrolyse en phase vapeur. Produit et Energie d'activation: Hydrogene 73 {+-} 2 kcal/Mole; Benzene 76 {+-} 2 kcal/Mole; Metatriphenyle, 53 {+-} 2 kcal/Mole; Decomposition du biphenyle 64 {+-} 2 kcal/Mole; La

  14. Scalable and fast heterogeneous molecular simulation with predictive parallelization schemes

    International Nuclear Information System (INIS)

    Guzman, Horacio V.; Junghans, Christoph; Kremer, Kurt; Stuehn, Torsten

    2017-01-01

    Multiscale and inhomogeneous molecular systems are challenging topics in the field of molecular simulation. In particular, modeling biological systems in the context of multiscale simulations and exploring material properties are driving a permanent development of new simulation methods and optimization algorithms. In computational terms, those methods require parallelization schemes that make a productive use of computational resources for each simulation and from its genesis. Here, we introduce the heterogeneous domain decomposition approach, which is a combination of an heterogeneity-sensitive spatial domain decomposition with an a priori rearrangement of subdomain walls. Within this approach and paper, the theoretical modeling and scaling laws for the force computation time are proposed and studied as a function of the number of particles and the spatial resolution ratio. We also show the new approach capabilities, by comparing it to both static domain decomposition algorithms and dynamic load-balancing schemes. Specifically, two representative molecular systems have been simulated and compared to the heterogeneous domain decomposition proposed in this work. Finally, these two systems comprise an adaptive resolution simulation of a biomolecule solvated in water and a phase-separated binary Lennard-Jones fluid.

  15. Scalable and fast heterogeneous molecular simulation with predictive parallelization schemes

    Science.gov (United States)

    Guzman, Horacio V.; Junghans, Christoph; Kremer, Kurt; Stuehn, Torsten

    2017-11-01

    Multiscale and inhomogeneous molecular systems are challenging topics in the field of molecular simulation. In particular, modeling biological systems in the context of multiscale simulations and exploring material properties are driving a permanent development of new simulation methods and optimization algorithms. In computational terms, those methods require parallelization schemes that make a productive use of computational resources for each simulation and from its genesis. Here, we introduce the heterogeneous domain decomposition approach, which is a combination of an heterogeneity-sensitive spatial domain decomposition with an a priori rearrangement of subdomain walls. Within this approach, the theoretical modeling and scaling laws for the force computation time are proposed and studied as a function of the number of particles and the spatial resolution ratio. We also show the new approach capabilities, by comparing it to both static domain decomposition algorithms and dynamic load-balancing schemes. Specifically, two representative molecular systems have been simulated and compared to the heterogeneous domain decomposition proposed in this work. These two systems comprise an adaptive resolution simulation of a biomolecule solvated in water and a phase-separated binary Lennard-Jones fluid.

  16. Cooperative networking in a heterogeneous wireless medium

    CERN Document Server

    Ismail, Muhammad

    2013-01-01

    This brief focuses on radio resource allocation in a heterogeneous wireless medium. It presents radio resource allocation algorithms with decentralized implementation, which support both single-network and multi-homing services. The brief provides a set of cooperative networking algorithms, which rely on the concepts of short-term call traffic load prediction, network cooperation, convex optimization, and decomposition theory. In the proposed solutions, mobile terminals play an active role in the resource allocation operation, instead of their traditional role as passive service recipients in the networking environment.

  17. Lie bialgebras with triangular decomposition

    International Nuclear Information System (INIS)

    Andruskiewitsch, N.; Levstein, F.

    1992-06-01

    Lie bialgebras originated in a triangular decomposition of the underlying Lie algebra are discussed. The explicit formulas for the quantization of the Heisenberg Lie algebra and some motion Lie algebras are given, as well as the algebra of rational functions on the quantum Heisenberg group and the formula for the universal R-matrix. (author). 17 refs

  18. Decomposition of metal nitrate solutions

    International Nuclear Information System (INIS)

    Haas, P.A.; Stines, W.B.

    1982-01-01

    Oxides in powder form are obtained from aqueous solutions of one or more heavy metal nitrates (e.g. U, Pu, Th, Ce) by thermal decomposition at 300 to 800 deg C in the presence of about 50 to 500% molar concentration of ammonium nitrate to total metal. (author)

  19. Probability inequalities for decomposition integrals

    Czech Academy of Sciences Publication Activity Database

    Agahi, H.; Mesiar, Radko

    2017-01-01

    Roč. 315, č. 1 (2017), s. 240-248 ISSN 0377-0427 Institutional support: RVO:67985556 Keywords : Decomposition integral * Superdecomposition integral * Probability inequalities Subject RIV: BA - General Mathematics OBOR OECD: Statistics and probability Impact factor: 1.357, year: 2016 http://library.utia.cas.cz/separaty/2017/E/mesiar-0470959.pdf

  20. Thermal decomposition of ammonium hexachloroosmate

    DEFF Research Database (Denmark)

    Asanova, T I; Kantor, Innokenty; Asanov, I. P.

    2016-01-01

    Structural changes of (NH4)2[OsCl6] occurring during thermal decomposition in a reduction atmosphere have been studied in situ using combined energy-dispersive X-ray absorption spectroscopy (ED-XAFS) and powder X-ray diffraction (PXRD). According to PXRD, (NH4)2[OsCl6] transforms directly to meta...

  1. 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

  2. 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

  3. Synchronization in networks with heterogeneous coupling delays

    Science.gov (United States)

    Otto, Andreas; Radons, Günter; Bachrathy, Dániel; Orosz, Gábor

    2018-01-01

    Synchronization in networks of identical oscillators with heterogeneous coupling delays is studied. A decomposition of the network dynamics is obtained by block diagonalizing a newly introduced adjacency lag operator which contains the topology of the network as well as the corresponding coupling delays. This generalizes the master stability function approach, which was developed for homogenous delays. As a result the network dynamics can be analyzed by delay differential equations with distributed delay, where different delay distributions emerge for different network modes. Frequency domain methods are used for the stability analysis of synchronized equilibria and synchronized periodic orbits. As an example, the synchronization behavior in a system of delay-coupled Hodgkin-Huxley neurons is investigated. It is shown that the parameter regions where synchronized periodic spiking is unstable expand when increasing the delay heterogeneity.

  4. Investigating hydrogel dosimeter decomposition by chemical methods

    International Nuclear Information System (INIS)

    Jordan, Kevin

    2015-01-01

    The chemical oxidative decomposition of leucocrystal violet micelle hydrogel dosimeters was investigated using the reaction of ferrous ions with hydrogen peroxide or sodium bicarbonate with hydrogen peroxide. The second reaction is more effective at dye decomposition in gelatin hydrogels. Additional chemical analysis is required to determine the decomposition products

  5. 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.

  6. 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

  7. 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)

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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....

  13. 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)

  14. 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.)

  15. 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

  16. 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)

  17. 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

  18. 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

  19. 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...

  20. 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)

  1. 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)

  2. 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)

  3. 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.

  4. 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.

  5. 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.

  6. 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

  7. 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.

  8. Dictionary-Based Tensor Canonical Polyadic Decomposition

    Science.gov (United States)

    Cohen, Jeremy Emile; Gillis, Nicolas

    2018-04-01

    To ensure interpretability of extracted sources in tensor decomposition, we introduce in this paper a dictionary-based tensor canonical polyadic decomposition which enforces one factor to belong exactly to a known dictionary. A new formulation of sparse coding is proposed which enables high dimensional tensors dictionary-based canonical polyadic decomposition. The benefits of using a dictionary in tensor decomposition models are explored both in terms of parameter identifiability and estimation accuracy. Performances of the proposed algorithms are evaluated on the decomposition of simulated data and the unmixing of hyperspectral images.

  9. Decomposition of diesel oil by various microorganisms

    Energy Technology Data Exchange (ETDEWEB)

    Suess, A; Netzsch-Lehner, A

    1969-01-01

    Previous experiments demonstrated the decomposition of diesel oil in different soils. In this experiment the decomposition of /sup 14/C-n-Hexadecane labelled diesel oil by special microorganisms was studied. The results were as follows: (1) In the experimental soils the microorganisms Mycoccus ruber, Mycobacterium luteum and Trichoderma hamatum are responsible for the diesel oil decomposition. (2) By adding microorganisms to the soil an increase of the decomposition rate was found only in the beginning of the experiments. (3) Maximum decomposition of diesel oil was reached 2-3 weeks after incubation.

  10. Variance decomposition in stochastic simulators.

    Science.gov (United States)

    Le Maître, O P; Knio, O M; Moraes, A

    2015-06-28

    This work aims at the development of a mathematical and computational approach that enables quantification of the inherent sources of stochasticity and of the corresponding sensitivities in stochastic simulations of chemical reaction networks. The approach is based on reformulating the system dynamics as being generated by independent standardized Poisson processes. This reformulation affords a straightforward identification of individual realizations for the stochastic dynamics of each reaction channel, and consequently a quantitative characterization of the inherent sources of stochasticity in the system. By relying on the Sobol-Hoeffding decomposition, the reformulation enables us to perform an orthogonal decomposition of the solution variance. Thus, by judiciously exploiting the inherent stochasticity of the system, one is able to quantify the variance-based sensitivities associated with individual reaction channels, as well as the importance of channel interactions. Implementation of the algorithms is illustrated in light of simulations of simplified systems, including the birth-death, Schlögl, and Michaelis-Menten models.

  11. Variance decomposition in stochastic simulators

    Science.gov (United States)

    Le Maître, O. P.; Knio, O. M.; Moraes, A.

    2015-06-01

    This work aims at the development of a mathematical and computational approach that enables quantification of the inherent sources of stochasticity and of the corresponding sensitivities in stochastic simulations of chemical reaction networks. The approach is based on reformulating the system dynamics as being generated by independent standardized Poisson processes. This reformulation affords a straightforward identification of individual realizations for the stochastic dynamics of each reaction channel, and consequently a quantitative characterization of the inherent sources of stochasticity in the system. By relying on the Sobol-Hoeffding decomposition, the reformulation enables us to perform an orthogonal decomposition of the solution variance. Thus, by judiciously exploiting the inherent stochasticity of the system, one is able to quantify the variance-based sensitivities associated with individual reaction channels, as well as the importance of channel interactions. Implementation of the algorithms is illustrated in light of simulations of simplified systems, including the birth-death, Schlögl, and Michaelis-Menten models.

  12. Variance decomposition in stochastic simulators

    Energy Technology Data Exchange (ETDEWEB)

    Le Maître, O. P., E-mail: olm@limsi.fr [LIMSI-CNRS, UPR 3251, Orsay (France); Knio, O. M., E-mail: knio@duke.edu [Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708 (United States); Moraes, A., E-mail: alvaro.moraesgutierrez@kaust.edu.sa [King Abdullah University of Science and Technology, Thuwal (Saudi Arabia)

    2015-06-28

    This work aims at the development of a mathematical and computational approach that enables quantification of the inherent sources of stochasticity and of the corresponding sensitivities in stochastic simulations of chemical reaction networks. The approach is based on reformulating the system dynamics as being generated by independent standardized Poisson processes. This reformulation affords a straightforward identification of individual realizations for the stochastic dynamics of each reaction channel, and consequently a quantitative characterization of the inherent sources of stochasticity in the system. By relying on the Sobol-Hoeffding decomposition, the reformulation enables us to perform an orthogonal decomposition of the solution variance. Thus, by judiciously exploiting the inherent stochasticity of the system, one is able to quantify the variance-based sensitivities associated with individual reaction channels, as well as the importance of channel interactions. Implementation of the algorithms is illustrated in light of simulations of simplified systems, including the birth-death, Schlögl, and Michaelis-Menten models.

  13. Variance decomposition in stochastic simulators

    KAUST Repository

    Le Maî tre, O. P.; Knio, O. M.; Moraes, Alvaro

    2015-01-01

    This work aims at the development of a mathematical and computational approach that enables quantification of the inherent sources of stochasticity and of the corresponding sensitivities in stochastic simulations of chemical reaction networks. The approach is based on reformulating the system dynamics as being generated by independent standardized Poisson processes. This reformulation affords a straightforward identification of individual realizations for the stochastic dynamics of each reaction channel, and consequently a quantitative characterization of the inherent sources of stochasticity in the system. By relying on the Sobol-Hoeffding decomposition, the reformulation enables us to perform an orthogonal decomposition of the solution variance. Thus, by judiciously exploiting the inherent stochasticity of the system, one is able to quantify the variance-based sensitivities associated with individual reaction channels, as well as the importance of channel interactions. Implementation of the algorithms is illustrated in light of simulations of simplified systems, including the birth-death, Schlögl, and Michaelis-Menten models.

  14. Excimer laser decomposition of silicone

    International Nuclear Information System (INIS)

    Laude, L.D.; Cochrane, C.; Dicara, Cl.; Dupas-Bruzek, C.; Kolev, K.

    2003-01-01

    Excimer laser irradiation of silicone foils is shown in this work to induce decomposition, ablation and activation of such materials. Thin (100 μm) laminated silicone foils are irradiated at 248 nm as a function of impacting laser fluence and number of pulsed irradiations at 1 s intervals. Above a threshold fluence of 0.7 J/cm 2 , material starts decomposing. At higher fluences, this decomposition develops and gives rise to (i) swelling of the irradiated surface and then (ii) emission of matter (ablation) at a rate that is not proportioned to the number of pulses. Taking into consideration the polymer structure and the foil lamination process, these results help defining the phenomenology of silicone ablation. The polymer decomposition results in two parts: one which is organic and volatile, and another part which is inorganic and remains, forming an ever thickening screen to light penetration as the number of light pulses increases. A mathematical model is developed that accounts successfully for this physical screening effect

  15. Performance of a combined cooling heating and power system with mid-and-low temperature solar thermal energy and methanol decomposition integration

    International Nuclear Information System (INIS)

    Xu, Da; Liu, Qibin; Lei, Jing; Jin, Hongguang

    2015-01-01

    Highlights: • A new middle-and-low temperature solar thermochemical CCHP system is proposed. • The thermodynamic performances of the new system are numerically evaluated. • The superiorities of the new system are demonstrated. - Abstract: In this paper, a new distributed energy system that integrates the mid-and-low temperature solar energy thermochemical process and the methanol decomposition is proposed. Through the solar energy receiver/reactor, the energy collected by a parabolic trough concentrator, at 200–300 °C, is used to drive the decomposition reaction of the methanol into the synthesis gas, and thus the solar thermal energy is converted to the chemical energy. The chemical energy of the synthesis gas released in the combustion chamber of a micro gas turbine is used to drive the combined cooling heating and power systems. Energy analysis and exergy analysis of the system are implemented to evaluate the feasibility of the proposed system. Under the considerations of the changes of the solar irradiation intensity, the off-design performances of the micro turbine and the variations of the load, the design and off-design thermodynamic performances of the system and the characteristics of the chemical energy storage are numerically studied. Numerical results indicate that the primary energy ratio of the system is 76.40%, and the net solar-electricity conversion rate reaches 22.56%, which is higher than exiting large-scale solar thermal power plants. Owing to the introduction of a the solar thermochemical energy storage in the proposed system, the power generation efficiency is insensitive to the variations of the solar radiation, and thus an efficient and stable utilization approach of the solar thermal energy is achieved at all work condition

  16. 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

  17. Carbon Dioxide Shuttling Thermochemical Storage Using Strontium Carbonate

    Energy Technology Data Exchange (ETDEWEB)

    Mei, Renwei [Univ. of Florida, Gainesville, FL (United States). Dept. of Mechanical and Aerospace Engineering

    2015-06-15

    Phase I concludes with significant progress made towards the SunShot ELEMENTS goals of high energy density, high power density, and high temperature by virtue of a SrO/SrCO3 based material. A detailed exploration of sintering inhibitors has been conducted and relatively stable materials supported by YSZ or SrZO3 have been identified as the leading candidates. In 15 cycle runs using a 3 hour carbonation duration, several materials demonstrated energy densities of roughly 1500 MJ/m3 or greater. The peak power density for the most productive materials consistently exceeded 40 MW/m3—an order of magnitude greater than the SOPO milestone. The team currently has a material demonstrating nearly 1000 MJ/m3 after 100 abbreviated (1 hour carbonation) cycles. A subsequent 8 hour carbonation after the 100 cycle test exhibited over 1500 MJ/m3, which is evidence that the material still has capacity for high storage albeit with slower kinetics. Kinetic carbonation experiments have shown three distinct periods: induction, kinetically-controlled, and finally a diffusion-controlled period. In contrast to thermodynamic equilibrium prediction, higher carbonation temperatures lead to greater conversions over a 1 hour periods, as diffusion of CO2 is more rapid at higher temperatures. A polynomial expression was fit to describe the temperature dependence of the linear kinetically-controlled regime, which does not obey a traditional Arrhenius relationship. Temperature and CO2 partial pressure effects on the induction period were also investigated. The CO2 partial pressure has a strong effect on the reaction progress at high temperatures but is insignificant at temperatures under 900°C. Tomography data for porous SrO/SrCO3 structures at initial stage and after multiple carbonation/decomposition cycles have been obtained. Both 2D slices and 3D reconstructed representations have

  18. Thermic decomposition of biphenyl; Decomposition thermique du biphenyle

    Energy Technology Data Exchange (ETDEWEB)

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

    1966-03-01

    Liquid and vapour phase pyrolysis of very pure biphenyl obtained by methods described in the text was carried out at 400 C in sealed ampoules, the fraction transformed being always less than 0.1 per cent. The main products were hydrogen, benzene, terphenyls, and a deposit of polyphenyls strongly adhering to the walls. Small quantities of the lower aliphatic hydrocarbons were also found. The variation of the yields of these products with a) the pyrolysis time, b) the state (gas or liquid) of the biphenyl, and c) the pressure of the vapour was measured. Varying the area and nature of the walls showed that in the absence of a liquid phase, the pyrolytic decomposition takes place in the adsorbed layer, and that metallic walls promote the reaction more actively than do those of glass (pyrex or silica). A mechanism is proposed to explain the results pertaining to this decomposition in the adsorbed phase. The adsorption seems to obey a Langmuir isotherm, and the chemical act which determines the overall rate of decomposition is unimolecular. (author) [French] Du biphenyle tres pur, dont la purification est decrite, est pyrolyse a 400 C en phase vapeur et en phase liquide dans des ampoules scellees sous vide, a des taux de decomposition n'ayant jamais depasse 0,1 pour cent. Les produits provenant de la pyrolyse sont essentiellement: l' hydrogene, le benzene, les therphenyles, et un depot de polyphenyles adherant fortement aux parois. En plus il se forme de faibles quantites d'hydrocarbures aliphatiques gazeux. On indique la variation des rendements des differents produits avec la duree de pyrolyse, l'etat gazeux ou liquide du biphenyle, et la pression de la vapeur. Variant la superficie et la nature des parois, on montre qu'en absence de liquide la pyrolyse se fait en phase adsorbee. La pyrolyse est plus active au contact de parois metalliques que de celles de verres (pyrex ou silice). A partir des resultats experimentaux un mecanisme de degradation du biphenyle en phase

  19. Novel separation process of gaseous mixture of SO2 and O2 with ionic liquid for hydrogen production in thermochemical sulfur-iodine water splitting cycle

    International Nuclear Information System (INIS)

    Kim, Chang Soo; Gong, Gyeong Taek; Yoo, Kye Sang; Kim, Honggon; Lee, Byoung Gwon; Ahn, Byoung Sung; Jung, Kwang Deog; Lee, Ki Yong; Song, Kwang Ho

    2007-01-01

    Sulfur-Iodine cycle is the most promising thermochemical cycle for water splitting to produce hydrogen which can replace the fossil fuels in the future. As a sub-cycle in the thermochemical Sulfur-Iodine water splitting cycle, sulfuric acid (H 2 SO 4 ) decomposes into oxygen (O 2 ) and sulfur dioxide (SO 2 ) which should be separated for the recycle of SO 2 into the sulfuric acid generation reaction (Bunsen Reaction). In this study, absorption and desorption process of SO 2 by ionic liquid which is useful for the recycle of SO 2 into sulfuric acid generation reaction after sulfuric acid decomposition in the thermochemical Sulfur-Iodine cycle is investigated. At first, the operability as an absorbent for the SO 2 absorption and desorption at high temperature without the volatilization of absorbents which is not suitable for the recycle of absorbent-free SO 2 after the absorption process. The temperature range of operability is determined by TGA and DTA analysis. Most of ionic liquids investigated are applicable at high temperature desorption without volatility around 300 deg. C except [BMIm] Cl, and [BMIm] OAc which show the decomposition of ionic liquids. To evaluate the capability of SO 2 absorption, each ionic liquid is located in the absorption tube and gaseous SO 2 is bubbled into the ionic liquid. During the bubbling, the weight of the system is measured and converted into the absorbed SO 2 amount at each temperature controlled by the heater. Saturated amounts of absorbed SO 2 by ionic liquids at 50 deg. C are presented. The effect of anions for the SO 2 absorption capability is shown in the order of Cl, OAc, MeSO 3 , BF 4 , MeSO 4 , PF 6 , and HSO 4 when they are combined with [BMIm] cation. [BMIm]Cl has the largest amount of SO 2 absorbed which can be the most promising absorbent; however, from the point of operability at high temperature which includes desorption process, [BMIm]Cl is vulnerable to high temperature around 250 deg. C based on the TGA

  20. Heterogeneous network architectures

    DEFF Research Database (Denmark)

    Christiansen, Henrik Lehrmann

    2006-01-01

    is flexibility. This thesis investigates such heterogeneous network architectures and how to make them flexible. A survey of algorithms for network design is presented, and it is described how using heuristics can increase the speed. A hierarchical, MPLS based network architecture is described......Future networks will be heterogeneous! Due to the sheer size of networks (e.g., the Internet) upgrades cannot be instantaneous and thus heterogeneity appears. This means that instead of trying to find the olution, networks hould be designed as being heterogeneous. One of the key equirements here...... and it is discussed that it is advantageous to heterogeneous networks and illustrated by a number of examples. Modeling and simulation is a well-known way of doing performance evaluation. An approach to event-driven simulation of communication networks is presented and mixed complexity modeling, which can simplify...

  1. Dolomite decomposition under CO2

    International Nuclear Information System (INIS)

    Guerfa, F.; Bensouici, F.; Barama, S.E.; Harabi, A.; Achour, S.

    2004-01-01

    Full text.Dolomite (MgCa (CO 3 ) 2 is one of the most abundant mineral species on the surface of the planet, it occurs in sedimentary rocks. MgO, CaO and Doloma (Phase mixture of MgO and CaO, obtained from the mineral dolomite) based materials are attractive steel-making refractories because of their potential cost effectiveness and world wide abundance more recently, MgO is also used as protective layers in plasma screen manufacture ceel. The crystal structure of dolomite was determined as rhombohedral carbonates, they are layers of Mg +2 and layers of Ca +2 ions. It dissociates depending on the temperature variations according to the following reactions: MgCa (CO 3 ) 2 → MgO + CaO + 2CO 2 .....MgCa (CO 3 ) 2 → MgO + Ca + CaCO 3 + CO 2 .....This latter reaction may be considered as a first step for MgO production. Differential thermal analysis (DTA) are used to control dolomite decomposition and the X-Ray Diffraction (XRD) was used to elucidate thermal decomposition of dolomite according to the reaction. That required samples were heated to specific temperature and holding times. The average particle size of used dolomite powders is 0.3 mm, as where, the heating temperature was 700 degree celsius, using various holding times (90 and 120 minutes). Under CO 2 dolomite decomposed directly to CaCO 3 accompanied by the formation of MgO, no evidence was offered for the MgO formation of either CaO or MgCO 3 , under air, simultaneous formation of CaCO 3 , CaO and accompanied dolomite decomposition

  2. Spectral Tensor-Train Decomposition

    DEFF Research Database (Denmark)

    Bigoni, Daniele; Engsig-Karup, Allan Peter; Marzouk, Youssef M.

    2016-01-01

    The accurate approximation of high-dimensional functions is an essential task in uncertainty quantification and many other fields. We propose a new function approximation scheme based on a spectral extension of the tensor-train (TT) decomposition. We first define a functional version of the TT...... adaptive Smolyak approach. The method is also used to approximate the solution of an elliptic PDE with random input data. The open source software and examples presented in this work are available online (http://pypi.python.org/pypi/TensorToolbox/)....

  3. 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.

  4. Achievement report for fiscal 1976 on Sunshine Program. Research on hydrogen production technology (Research on hydrogen production technology using thermochemical method); 1976 nendo suiso no seizo gijutsu no kenkyu seika hokokusho. Netsukagakuho ni yoru suiso seizo gijutsu no kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1977-03-01

    This report covers part of the efforts to develop new hydrogen production technologies. Out of many processes involving Cu-halogen and alkali carbonate-iodine systems proposed as novel thermochemical processes, after they are compared with each other, a process of a sodium carbonate-iodine system with nickel in between is chosen. The chosen process is deemed to be the most excellent among the processes disclosed up to fiscal 1975. A feasibility study is conducted for the chosen process from the viewpoint of reaction rate, separation of reactive substances from each other, method for reaction manipulation, materials for device constitution, and thermal efficiency. As for the measurement of reaction rate for each unit reaction, basic reaction data are determined centering about the nickel iodide decomposition reaction and the sodium iodide carbonation reaction, and then reaction conditions which are roughly satisfying are obtained. A larger reaction unit is built in which the amounts of substances that come into reaction are approximately 10 times larger than those in the ones used in basic experiments. The progress of reactions is observed in the reaction unit, with the size enlarged in preparation for future construction of still larger reaction units. Methods for selectively isolating hydrogen out of gases ensuing from the decomposition are evaluated from the viewpoint of energy efficiency. In the selection of a reaction manipulation method, a single unit reaction process is advocated, and its thermal efficiency is estimated. (NEDO)

  5. Decomposition of Multi-player Games

    Science.gov (United States)

    Zhao, Dengji; Schiffel, Stephan; Thielscher, Michael

    Research in General Game Playing aims at building systems that learn to play unknown games without human intervention. We contribute to this endeavour by generalising the established technique of decomposition from AI Planning to multi-player games. To this end, we present a method for the automatic decomposition of previously unknown games into independent subgames, and we show how a general game player can exploit a successful decomposition for game tree search.

  6. Constructive quantum Shannon decomposition from Cartan involutions

    International Nuclear Information System (INIS)

    Drury, Byron; Love, Peter

    2008-01-01

    The work presented here extends upon the best known universal quantum circuit, the quantum Shannon decomposition proposed by Shende et al (2006 IEEE Trans. Comput.-Aided Des. Integr. Circuits Syst. 25 1000). We obtain the basis of the circuit's design in a pair of Cartan decompositions. This insight gives a simple constructive factoring algorithm in terms of the Cartan involutions corresponding to these decompositions

  7. Constructive quantum Shannon decomposition from Cartan involutions

    Energy Technology Data Exchange (ETDEWEB)

    Drury, Byron; Love, Peter [Department of Physics, 370 Lancaster Ave., Haverford College, Haverford, PA 19041 (United States)], E-mail: plove@haverford.edu

    2008-10-03

    The work presented here extends upon the best known universal quantum circuit, the quantum Shannon decomposition proposed by Shende et al (2006 IEEE Trans. Comput.-Aided Des. Integr. Circuits Syst. 25 1000). We obtain the basis of the circuit's design in a pair of Cartan decompositions. This insight gives a simple constructive factoring algorithm in terms of the Cartan involutions corresponding to these decompositions.

  8. Mathematical modelling of the decomposition of explosives

    International Nuclear Information System (INIS)

    Smirnov, Lev P

    2010-01-01

    Studies on mathematical modelling of the molecular and supramolecular structures of explosives and the elementary steps and overall processes of their decomposition are analyzed. Investigations on the modelling of combustion and detonation taking into account the decomposition of explosives are also considered. It is shown that solution of problems related to the decomposition kinetics of explosives requires the use of a complex strategy based on the methods and concepts of chemical physics, solid state physics and theoretical chemistry instead of empirical approach.

  9. Infrared multiphoton absorption and decomposition

    International Nuclear Information System (INIS)

    Evans, D.K.; McAlpine, R.D.

    1984-01-01

    The discovery of infrared laser induced multiphoton absorption (IRMPA) and decomposition (IRMPD) by Isenor and Richardson in 1971 generated a great deal of interest in these phenomena. This interest was increased with the discovery by Ambartzumian, Letokhov, Ryadbov and Chekalin that isotopically selective IRMPD was possible. One of the first speculations about these phenomena was that it might be possible to excite a particular mode of a molecule with the intense infrared laser beam and cause decomposition or chemical reaction by channels which do not predominate thermally, thus providing new synthetic routes for complex chemicals. The potential applications to isotope separation and novel chemistry stimulated efforts to understand the underlying physics and chemistry of these processes. At ICOMP I, in 1977 and at ICOMP II in 1980, several authors reviewed the current understandings of IRMPA and IRMPD as well as the particular aspect of isotope separation. There continues to be a great deal of effort into understanding IRMPA and IRMPD and we will briefly review some aspects of these efforts with particular emphasis on progress since ICOMP II. 31 references

  10. Decomposition of Diethylstilboestrol in Soil

    DEFF Research Database (Denmark)

    Gregers-Hansen, Birte

    1964-01-01

    The rate of decomposition of DES-monoethyl-1-C14 in soil was followed by measurement of C14O2 released. From 1.6 to 16% of the added C14 was recovered as C14O2 during 3 months. After six months as much as 12 to 28 per cent was released as C14O2.Determination of C14 in the soil samples after the e...... not inhibit the CO2 production from the soil.Experiments with γ-sterilized soil indicated that enzymes present in the soil are able to attack DES.......The rate of decomposition of DES-monoethyl-1-C14 in soil was followed by measurement of C14O2 released. From 1.6 to 16% of the added C14 was recovered as C14O2 during 3 months. After six months as much as 12 to 28 per cent was released as C14O2.Determination of C14 in the soil samples after...

  11. Heterogeneous cellular networks

    CERN Document Server

    Hu, Rose Qingyang

    2013-01-01

    A timely publication providing coverage of radio resource management, mobility management and standardization in heterogeneous cellular networks The topic of heterogeneous cellular networks has gained momentum in industry and the research community, attracting the attention of standardization bodies such as 3GPP LTE and IEEE 802.16j, whose objectives are looking into increasing the capacity and coverage of the cellular networks. This book focuses on recent progresses,  covering the related topics including scenarios of heterogeneous network deployment, interference management i

  12. 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.

  13. 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.

  14. 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

  15. Catalytic activity of γ-irradiated transition metal ions in the decomposition of hydrogen peroxide

    International Nuclear Information System (INIS)

    Arnikar, H.J.; Kapadi, A.H.; Gohad, A.S.; Bhosale, S.B.

    1988-01-01

    The catalystic decomposition of hydrogen peroxide by transition metal ions, Fe 2+ , Fe 3+ , Co 2+ and Cu 2+ , adsorbed on neutral α-alumina was studied over the temperature range of 295-313 K. γ-irradiation of the catalysts to a dose of 0.12 MGy enhanced markedly the first order decomposition rate. Negligible in the case of Cu 2+ , the radiation effect increased roughly in the order of the number of unpaired d electrons in these ions: Cu(II), Fe(II), Co(II) and Fe(III). Results are explained on the basis of Kremer's mechanism of electron induced heterogeneous decomposition of H 2 O 2 . The radiation effect is attributed to the initial excess of electrons released from traps in the beginning of the reaction

  16. 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

  17. 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)

  18. 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

  19. 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.

  20. 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

  1. 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.)

  2. 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.

  3. 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

  4. 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

  5. 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.

  6. 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

  7. 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)

  8. New developments of the CARTE thermochemical code: A two-phase equation of state for nanocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Dubois, Vincent, E-mail: vincent-jp.dubois@cea.fr; Pineau, Nicolas [CEA, DAM, DIF, F-91297 Arpajon (France)

    2016-01-07

    We developed a new equation of state (EOS) for nanocarbons in the thermodynamic range of high explosives detonation products (up to 50 GPa and 4000 K). This EOS was fitted to an extensive database of thermodynamic properties computed by molecular dynamics simulations of nanodiamonds and nano-onions with the LCBOPII potential. We reproduced the detonation properties of a variety of high explosives with the CARTE thermochemical code, including carbon-poor and carbon-rich explosives, with excellent accuracy.

  9. Neurobiological heterogeneity in ADHD

    NARCIS (Netherlands)

    de Zeeuw, P.

    2011-01-01

    Attention-Deficit/Hyperactivity Disorder (ADHD) is a highly heterogeneous disorder clinically. Symptoms take many forms, from subtle but pervasive attention problems or dreaminess up to disruptive and unpredictable behavior. Interestingly, early neuroscientific work on ADHD assumed either a

  10. Heterogeneous Calculation of {epsilon}

    Energy Technology Data Exchange (ETDEWEB)

    Jonsson, Alf

    1961-02-15

    A heterogeneous method of calculating the fast fission factor given by Naudet has been applied to the Carlvik - Pershagen definition of {epsilon}. An exact calculation of the collision probabilities is included in the programme developed for the Ferranti - Mercury computer.

  11. Heterogeneous Calculation of ε

    International Nuclear Information System (INIS)

    Jonsson, Alf

    1961-02-01

    A heterogeneous method of calculating the fast fission factor given by Naudet has been applied to the Carlvik - Pershagen definition of ε. An exact calculation of the collision probabilities is included in the programme developed for the Ferranti - Mercury computer

  12. HETEROGENEOUS INTEGRATION TECHNOLOGY

    Science.gov (United States)

    2017-08-24

    AFRL-RY-WP-TR-2017-0168 HETEROGENEOUS INTEGRATION TECHNOLOGY Dr. Burhan Bayraktaroglu Devices for Sensing Branch Aerospace Components & Subsystems...Final September 1, 2016 – May 1, 2017 4. TITLE AND SUBTITLE HETEROGENEOUS INTEGRATION TECHNOLOGY 5a. CONTRACT NUMBER In-house 5b. GRANT NUMBER N/A...provide a structure for this review. The history and the current status of integration technologies in each category are examined and product examples are

  13. Decomposition kinetics of plutonium hydride

    Energy Technology Data Exchange (ETDEWEB)

    Haschke, J.M.; Stakebake, J.L.

    1979-01-01

    Kinetic data for decomposition of PuH/sub 1/ /sub 95/ provides insight into a possible mechanism for the hydriding and dehydriding reactions of plutonium. The fact that the rate of the hydriding reaction, K/sub H/, is proportional to P/sup 1/2/ and the rate of the dehydriding process, K/sub D/, is inversely proportional to P/sup 1/2/ suggests that the forward and reverse reactions proceed by opposite paths of the same mechanism. The P/sup 1/2/ dependence of hydrogen solubility in metals is characteristic of the dissociative absorption of hydrogen; i.e., the reactive species is atomic hydrogen. It is reasonable to assume that the rates of the forward and reverse reactions are controlled by the surface concentration of atomic hydrogen, (H/sub s/), that K/sub H/ = c'(H/sub s/), and that K/sub D/ = c/(H/sub s/), where c' and c are proportionality constants. For this surface model, the pressure dependence of K/sub D/ is related to (H/sub s/) by the reaction (H/sub s/) reversible 1/2H/sub 2/(g) and by its equilibrium constant K/sub e/ = (H/sub 2/)/sup 1/2//(H/sub s/). In the pressure range of ideal gas behavior, (H/sub s/) = K/sub e//sup -1/(RT)/sup -1/2/ and the decomposition rate is given by K/sub D/ = cK/sub e/(RT)/sup -1/2/P/sup 1/2/. For an analogous treatment of the hydriding process with this model, it can be readily shown that K/sub H/ = c'K/sub e//sup -1/(RT)/sup -1/2/P/sup 1/2/. The inverse pressure dependence and direct temperature dependence of the decomposition rate are correctly predicted by this mechanism which is most consistent with the observed behavior of the Pu--H system.

  14. Java-Based Coupling for Parallel Predictive-Adaptive Domain Decomposition

    Directory of Open Access Journals (Sweden)

    Cécile Germain‐Renaud

    1999-01-01

    Full Text Available Adaptive domain decomposition exemplifies the problem of integrating heterogeneous software components with intermediate coupling granularity. This paper describes an experiment where a data‐parallel (HPF client interfaces with a sequential computation server through Java. We show that seamless integration of data‐parallelism is possible, but requires most of the tools from the Java palette: Java Native Interface (JNI, Remote Method Invocation (RMI, callbacks and threads.

  15. Spinodal decomposition in fluid mixtures

    International Nuclear Information System (INIS)

    Kawasaki, Kyozi; Koga, Tsuyoshi

    1993-01-01

    We study the late stage dynamics of spinodal decomposition in binary fluids by the computer simulation of the time-dependent Ginzburg-Landau equation. We obtain a temporary linear growth law of the characteristic length of domains in the late stage. This growth law has been observed in many real experiments of binary fluids and indicates that the domain growth proceeds by the flow caused by the surface tension of interfaces. We also find that the dynamical scaling law is satisfied in this hydrodynamic domain growth region. By comparing the scaling functions for fluids with that for the case without hydrodynamic effects, we find that the scaling functions for the two systems are different. (author)

  16. Early stage litter decomposition across biomes

    Science.gov (United States)

    Ika Djukic; Sebastian Kepfer-Rojas; Inger Kappel Schmidt; Klaus Steenberg Larsen; Claus Beier; Björn Berg; Kris Verheyen; Adriano Caliman; Alain Paquette; Alba Gutiérrez-Girón; Alberto Humber; Alejandro Valdecantos; Alessandro Petraglia; Heather Alexander; Algirdas Augustaitis; Amélie Saillard; Ana Carolina Ruiz Fernández; Ana I. Sousa; Ana I. Lillebø; Anderson da Rocha Gripp; André-Jean Francez; Andrea Fischer; Andreas Bohner; Andrey Malyshev; Andrijana Andrić; Andy Smith; Angela Stanisci; Anikó Seres; Anja Schmidt; Anna Avila; Anne Probst; Annie Ouin; Anzar A. Khuroo; Arne Verstraeten; Arely N. Palabral-Aguilera; Artur Stefanski; Aurora Gaxiola; Bart Muys; Bernard Bosman; Bernd Ahrends; Bill Parker; Birgit Sattler; Bo Yang; Bohdan Juráni; Brigitta Erschbamer; Carmen Eugenia Rodriguez Ortiz; Casper T. Christiansen; E. Carol Adair; Céline Meredieu; Cendrine Mony; Charles A. Nock; Chi-Ling Chen; Chiao-Ping Wang; Christel Baum; Christian Rixen; Christine Delire; Christophe Piscart; Christopher Andrews; Corinna Rebmann; Cristina Branquinho; Dana Polyanskaya; David Fuentes Delgado; Dirk Wundram; Diyaa Radeideh; Eduardo Ordóñez-Regil; Edward Crawford; Elena Preda; Elena Tropina; Elli Groner; Eric Lucot; Erzsébet Hornung; Esperança Gacia; Esther Lévesque; Evanilde Benedito; Evgeny A. Davydov; Evy Ampoorter; Fabio Padilha Bolzan; Felipe Varela; Ferdinand Kristöfel; Fernando T. Maestre; Florence Maunoury-Danger; Florian Hofhansl; Florian Kitz; Flurin Sutter; Francisco Cuesta; Francisco de Almeida Lobo; Franco Leandro de Souza; Frank Berninger; Franz Zehetner; Georg Wohlfahrt; George Vourlitis; Geovana Carreño-Rocabado; Gina Arena; Gisele Daiane Pinha; Grizelle González; Guylaine Canut; Hanna Lee; Hans Verbeeck; Harald Auge; Harald Pauli; Hassan Bismarck Nacro; Héctor A. Bahamonde; Heike Feldhaar; Heinke Jäger; Helena C. Serrano; Hélène Verheyden; Helge Bruelheide; Henning Meesenburg; Hermann Jungkunst; Hervé Jactel; Hideaki Shibata; Hiroko Kurokawa; Hugo López Rosas; Hugo L. Rojas Villalobos; Ian Yesilonis; Inara Melece; Inge Van Halder; Inmaculada García Quirós; Isaac Makelele; Issaka Senou; István Fekete; Ivan Mihal; Ivika Ostonen; Jana Borovská; Javier Roales; Jawad Shoqeir; Jean-Christophe Lata; Jean-Paul Theurillat; Jean-Luc Probst; Jess Zimmerman; Jeyanny Vijayanathan; Jianwu Tang; Jill Thompson; Jiří Doležal; Joan-Albert Sanchez-Cabeza; Joël Merlet; Joh Henschel; Johan Neirynck; Johannes Knops; John Loehr; Jonathan von Oppen; Jónína Sigríður Þorláksdóttir; Jörg Löffler; José-Gilberto Cardoso-Mohedano; José-Luis Benito-Alonso; Jose Marcelo Torezan; Joseph C. Morina; Juan J. Jiménez; Juan Dario Quinde; Juha Alatalo; Julia Seeber; Jutta Stadler; Kaie Kriiska; Kalifa Coulibaly; Karibu Fukuzawa; Katalin Szlavecz; Katarína Gerhátová; Kate Lajtha; Kathrin Käppeler; Katie A. Jennings; Katja Tielbörger; Kazuhiko Hoshizaki; Ken Green; Lambiénou Yé; Laryssa Helena Ribeiro Pazianoto; Laura Dienstbach; Laura Williams; Laura Yahdjian; Laurel M. Brigham; Liesbeth van den Brink; Lindsey Rustad; al. et

    2018-01-01

    Through litter decomposition enormous amounts of carbon is emitted to the atmosphere. Numerous large-scale decomposition experiments have been conducted focusing on this fundamental soil process in order to understand the controls on the terrestrial carbon transfer to the atmosphere. However, previous studies were mostly based on site-specific litter and methodologies...

  17. Nutrient Dynamics and Litter Decomposition in Leucaena ...

    African Journals Online (AJOL)

    Nutrient contents and rate of litter decomposition were investigated in Leucaena leucocephala plantation in the University of Agriculture, Abeokuta, Ogun State, Nigeria. Litter bag technique was used to study the pattern and rate of litter decomposition and nutrient release of Leucaena leucocephala. Fifty grams of oven-dried ...

  18. Climate history shapes contemporary leaf litter decomposition

    Science.gov (United States)

    Michael S. Strickland; Ashley D. Keiser; Mark A. Bradford

    2015-01-01

    Litter decomposition is mediated by multiple variables, of which climate is expected to be a dominant factor at global scales. However, like other organisms, traits of decomposers and their communities are shaped not just by the contemporary climate but also their climate history. Whether or not this affects decomposition rates is underexplored. Here we source...

  19. The decomposition of estuarine macrophytes under different ...

    African Journals Online (AJOL)

    The aim of this study was to determine the decomposition characteristics of the most dominant submerged macrophyte and macroalgal species in the Great Brak Estuary. Laboratory experiments were conducted to determine the effect of different temperature regimes on the rate of decomposition of 3 macrophyte species ...

  20. Decomposition and flame structure of hydrazinium nitroformate

    NARCIS (Netherlands)

    Louwers, J.; Parr, T.; Hanson-Parr, D.

    1999-01-01

    The decomposition of hydrazinium nitroformate (HNF) was studied in a hot quartz cell and by dropping small amounts of HNF on a hot plate. The species formed during the decomposition were identified by ultraviolet-visible absorption experiments. These experiments reveal that first HONO is formed. The

  1. Multilevel index decomposition analysis: Approaches and application

    International Nuclear Information System (INIS)

    Xu, X.Y.; Ang, B.W.

    2014-01-01

    With the growing interest in using the technique of index decomposition analysis (IDA) in energy and energy-related emission studies, such as to analyze the impacts of activity structure change or to track economy-wide energy efficiency trends, the conventional single-level IDA may not be able to meet certain needs in policy analysis. In this paper, some limitations of single-level IDA studies which can be addressed through applying multilevel decomposition analysis are discussed. We then introduce and compare two multilevel decomposition procedures, which are referred to as the multilevel-parallel (M-P) model and the multilevel-hierarchical (M-H) model. The former uses a similar decomposition procedure as in the single-level IDA, while the latter uses a stepwise decomposition procedure. Since the stepwise decomposition procedure is new in the IDA literature, the applicability of the popular IDA methods in the M-H model is discussed and cases where modifications are needed are explained. Numerical examples and application studies using the energy consumption data of the US and China are presented. - Highlights: • We discuss the limitations of single-level decomposition in IDA applied to energy study. • We introduce two multilevel decomposition models, study their features and discuss how they can address the limitations. • To extend from single-level to multilevel analysis, necessary modifications to some popular IDA methods are discussed. • We further discuss the practical significance of the multilevel models and present examples and cases to illustrate

  2. Heterogeneous gas core reactor

    International Nuclear Information System (INIS)

    Han, K.I.

    1977-01-01

    Preliminary investigations of a heterogeneous gas core reactor (HGCR) concept suggest that this potential power reactor offers distinct advantages over other existing or conceptual reactor power plants. One of the most favorable features of the HGCR is the flexibility of the power producing system which allows it to be efficiently designed to conform to a desired optimum condition without major conceptual changes. The arrangement of bundles of moderator/coolant channels in a fissionable gas or mixture of gases makes a truly heterogeneous nuclear reactor core. It is this full heterogeneity for a gas-fueled reactor core which accounts for the novelty of the heterogeneous gas core reactor concept and leads to noted significant advantages over previous gas core systems with respect to neutron and fuel economy, power density, and heat transfer characteristics. The purpose of this work is to provide an insight into the design, operating characteristics, and safety of a heterogeneous gas core reactor system. The studies consist mainly of neutronic, energetic and kinetic analyses of the power producing and conversion systems as a preliminary assessment of the heterogeneous gas core reactor concept and basic design. The results of the conducted research indicate a high potential for the heterogeneous gas core reactor system as an electrical power generating unit (either large or small), with an overall efficiency as high as 40 to 45%. The HGCR system is found to be stable and safe, under the conditions imposed upon the analyses conducted in this work, due to the inherent safety of ann expanding gaseous fuel and the intrinsic feedback effects of the gas and water coolant

  3. In situ study of glasses decomposition layer

    International Nuclear Information System (INIS)

    Zarembowitch-Deruelle, O.

    1997-01-01

    The aim of this work is to understand the involved mechanisms during the decomposition of glasses by water and the consequences on the morphology of the decomposition layer, in particular in the case of a nuclear glass: the R 7 T 7 . The chemical composition of this glass being very complicated, it is difficult to know the influence of the different elements on the decomposition kinetics and on the resulting morphology because several atoms have a same behaviour. Glasses with simplified composition (only 5 elements) have then been synthesized. The morphological and structural characteristics of these glasses have been given. They have then been decomposed by water. The leaching curves do not reflect the decomposition kinetics but the solubility of the different elements at every moment. The three steps of the leaching are: 1) de-alkalinization 2) lattice rearrangement 3) heavy elements solubilization. Two decomposition layer types have also been revealed according to the glass heavy elements rate. (O.M.)

  4. Multilinear operators for higher-order decompositions.

    Energy Technology Data Exchange (ETDEWEB)

    Kolda, Tamara Gibson

    2006-04-01

    We propose two new multilinear operators for expressing the matrix compositions that are needed in the Tucker and PARAFAC (CANDECOMP) decompositions. The first operator, which we call the Tucker operator, is shorthand for performing an n-mode matrix multiplication for every mode of a given tensor and can be employed to concisely express the Tucker decomposition. The second operator, which we call the Kruskal operator, is shorthand for the sum of the outer-products of the columns of N matrices and allows a divorce from a matricized representation and a very concise expression of the PARAFAC decomposition. We explore the properties of the Tucker and Kruskal operators independently of the related decompositions. Additionally, we provide a review of the matrix and tensor operations that are frequently used in the context of tensor decompositions.

  5. 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)

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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%.

  12. 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.

  13. 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)

  14. 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)

  15. 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...

  16. Management intensity alters decomposition via biological pathways

    Science.gov (United States)

    Wickings, Kyle; Grandy, A. Stuart; Reed, Sasha; Cleveland, Cory

    2011-01-01

    Current conceptual models predict that changes in plant litter chemistry during decomposition are primarily regulated by both initial litter chemistry and the stage-or extent-of mass loss. Far less is known about how variations in decomposer community structure (e.g., resulting from different ecosystem management types) could influence litter chemistry during decomposition. Given the recent agricultural intensification occurring globally and the importance of litter chemistry in regulating soil organic matter storage, our objectives were to determine the potential effects of agricultural management on plant litter chemistry and decomposition rates, and to investigate possible links between ecosystem management, litter chemistry and decomposition, and decomposer community composition and activity. We measured decomposition rates, changes in litter chemistry, extracellular enzyme activity, microarthropod communities, and bacterial versus fungal relative abundance in replicated conventional-till, no-till, and old field agricultural sites for both corn and grass litter. After one growing season, litter decomposition under conventional-till was 20% greater than in old field communities. However, decomposition rates in no-till were not significantly different from those in old field or conventional-till sites. After decomposition, grass residue in both conventional- and no-till systems was enriched in total polysaccharides relative to initial litter, while grass litter decomposed in old fields was enriched in nitrogen-bearing compounds and lipids. These differences corresponded with differences in decomposer communities, which also exhibited strong responses to both litter and management type. Overall, our results indicate that agricultural intensification can increase litter decomposition rates, alter decomposer communities, and influence litter chemistry in ways that could have important and long-term effects on soil organic matter dynamics. We suggest that future

  17. Heterogeneous equilibrium in mplybdenum-iodine system

    International Nuclear Information System (INIS)

    Klinkova, L.A.

    1983-01-01

    Heterogeneous equilibrium in the Mo-J system is studied to reveal regions of existence of molybdenum iodides, is studied. The investigation is performed for atomic ratio I/Mo=0.02-7.5 in the temperature range of 300-1370 K using methods of thermographic, X-ray phase, chemical and optical analyses of phases quenched after isothermal annealing. It is shown that higher molybdenum iodides (Mo1 4 , MoJ 5 , MoJ 6 ) are thermally unstable compounds and exist in the Mo-J system at low temperatures (360-490 K). Above 470 K higher iodides dissociate up to molybdenum triiodide. MoJ 3 under the pressure of iodine vapors is stable up to 970 K. Molybdenum diiodide is the product of triiodide decomposition and forms in the Mo-J system in the 700-1270 K range. At the J/Mo>>3 ratio the product of triiodide decomposition is MoJsub(2.87) which is thermally unstable up to 570 K, while in iodine atmosphere - up to 1170 K

  18. Early development of spinodal decomposition in neutron-irradiated Fe-35.5Ni-7.5Cr at 5500C

    International Nuclear Information System (INIS)

    Brager, H.R.; Garner, F.A.

    1985-04-01

    In Fe-35Ni-7.5Cr irradiated at 550 0 C to 2.5 x 10 22 n/cm 2 (E > 0.1 MeV) the spinodal decomposition observed at higher irradiation temperatures and higher neutron exposures is just beginning to form. The decomposition appears to begin very heterogeneously and may be assisted by the action of the inverse Kirkendall mechanism operating at various microstructural sinks

  19. Gas emission from anaerobic decomposition of plant resources

    Directory of Open Access Journals (Sweden)

    Marcela Bianchessi da Cunha-Santino

    Full Text Available Abstract: Aim The aim of this study was to quantify the emission rates of gases resulting from the anaerobic decomposition of different plant resources under conditions usually found in sediments of tropical aquatic systems and drained organic soils. Methods Incubations were prepared with green leaves, bark, twigs, plant litter, sugarcane stalks and leaves, soybean leaves, grasses, forest leaves and an aquatic macrophyte (Typha domingensis. Over 10 months, the daily volume of gas evolved from decay was measured and a kinetic model was used to describe the anaerobic mineralization. Results Using the mathematical model, it can be observed that the composition of the plant resources is heterogeneous. The temporal variation of the gas rates indicated that the mineralization of the labile fractions of detritus varied, on a carbon basis, from 16.2 (bark to 100% (samples composed of leaves, grasses and sugar cane stalks. High gas emissions were observed during the mineralization of grasses, sugar cane stalks, leaves and plant litter, while low volumes of gases were measured during the mineralization of bark, twigs, forest leaves and T. domingensis, which are the most fibrous and recalcitrant resources (carbon content: 83.8, 78.2, 64.8 and 53.4%, respectively. The mineralization of labile carbon presented half-life values, which varied from 41 (twigs to 295 days (grasses. Conclusions Considering the high amount of remaining recalcitrant fraction, the anaerobic decomposition of these plant resources showed a strong trend towards accumulating organic matter in flooded soils. Despite the higher temperatures found in the tropical environment, these environments represent a sink of particulate detritus due to its slow decomposition.

  20. Green heterogeneous wireless networks

    CERN Document Server

    Ismail, Muhammad; Nee, Hans-Peter; Qaraqe, Khalid A; Serpedin, Erchin

    2016-01-01

    This book focuses on the emerging research topic "green (energy efficient) wireless networks" which has drawn huge attention recently from both academia and industry. This topic is highly motivated due to important environmental, financial, and quality-of-experience (QoE) considerations. Specifically, the high energy consumption of the wireless networks manifests in approximately 2% of all CO2 emissions worldwide. This book presents the authors’ visions and solutions for deployment of energy efficient (green) heterogeneous wireless communication networks. The book consists of three major parts. The first part provides an introduction to the "green networks" concept, the second part targets the green multi-homing resource allocation problem, and the third chapter presents a novel deployment of device-to-device (D2D) communications and its successful integration in Heterogeneous Networks (HetNets). The book is novel in that it specifically targets green networking in a heterogeneous wireless medium, which re...

  1. Domain decomposition methods for the neutron diffusion problem

    International Nuclear Information System (INIS)

    Guerin, P.; Baudron, A. M.; Lautard, J. J.

    2010-01-01

    The neutronic simulation of a nuclear reactor core is performed using the neutron transport equation, and leads to an eigenvalue problem in the steady-state case. Among the deterministic resolution methods, simplified transport (SPN) or diffusion approximations are often used. The MINOS solver developed at CEA Saclay uses a mixed dual finite element method for the resolution of these problems. and has shown his efficiency. In order to take into account the heterogeneities of the geometry, a very fine mesh is generally required, and leads to expensive calculations for industrial applications. In order to take advantage of parallel computers, and to reduce the computing time and the local memory requirement, we propose here two domain decomposition methods based on the MINOS solver. The first approach is a component mode synthesis method on overlapping sub-domains: several Eigenmodes solutions of a local problem on each sub-domain are taken as basis functions used for the resolution of the global problem on the whole domain. The second approach is an iterative method based on a non-overlapping domain decomposition with Robin interface conditions. At each iteration, we solve the problem on each sub-domain with the interface conditions given by the solutions on the adjacent sub-domains estimated at the previous iteration. Numerical results on parallel computers are presented for the diffusion model on realistic 2D and 3D cores. (authors)

  2. Isotopes in heterogeneous catalysis

    CERN Document Server

    Hargreaves, Justin SJ

    2006-01-01

    The purpose of this book is to review the current, state-of-the-art application of isotopic methods to the field of heterogeneous catalysis. Isotopic studies are arguably the ultimate technique in in situ methods for heterogeneous catalysis. In this review volume, chapters have been contributed by experts in the field and the coverage includes both the application of specific isotopes - Deuterium, Tritium, Carbon-14, Sulfur-35 and Oxygen-18 - as well as isotopic techniques - determination of surface mobility, steady state transient isotope kinetic analysis, and positron emission profiling.

  3. Cancer heterogeneity and imaging.

    Science.gov (United States)

    O'Connor, James P B

    2017-04-01

    There is interest in identifying and quantifying tumor heterogeneity at the genomic, tissue pathology and clinical imaging scales, as this may help better understand tumor biology and may yield useful biomarkers for guiding therapy-based decision making. This review focuses on the role and value of using x-ray, CT, MRI and PET based imaging methods that identify, measure and map tumor heterogeneity. In particular we highlight the potential value of these techniques and the key challenges required to validate and qualify these biomarkers for clinical use. Copyright © 2016. Published by Elsevier Ltd.

  4. LMDI decomposition approach: A guide for implementation

    International Nuclear Information System (INIS)

    Ang, B.W.

    2015-01-01

    Since it was first used by researchers to analyze industrial electricity consumption in the early 1980s, index decomposition analysis (IDA) has been widely adopted in energy and emission studies. Lately its use as the analytical component of accounting frameworks for tracking economy-wide energy efficiency trends has attracted considerable attention and interest among policy makers. The last comprehensive literature review of IDA was reported in 2000 which is some years back. After giving an update and presenting the key trends in the last 15 years, this study focuses on the implementation issues of the logarithmic mean Divisia index (LMDI) decomposition methods in view of their dominance in IDA in recent years. Eight LMDI models are presented and their origin, decomposition formulae, and strengths and weaknesses are summarized. Guidelines on the choice among these models are provided to assist users in implementation. - Highlights: • Guidelines for implementing LMDI decomposition approach are provided. • Eight LMDI decomposition models are summarized and compared. • The development of the LMDI decomposition approach is presented. • The latest developments of index decomposition analysis are briefly reviewed.

  5. Thermal decomposition of beryllium perchlorate tetrahydrate

    International Nuclear Information System (INIS)

    Berezkina, L.G.; Borisova, S.I.; Tamm, N.S.; Novoselova, A.V.

    1975-01-01

    Thermal decomposition of Be(ClO 4 ) 2 x4H 2 O was studied by the differential flow technique in the helium stream. The kinetics was followed by an exchange reaction of the perchloric acid appearing by the decomposition with potassium carbonate. The rate of CO 2 liberation in this process was recorded by a heat conductivity detector. The exchange reaction yielding CO 2 is quantitative, it is not the limiting one and it does not distort the kinetics of the process of perchlorate decomposition. The solid products of decomposition were studied by infrared and NMR spectroscopy, roentgenography, thermography and chemical analysis. A mechanism suggested for the decomposition involves intermediate formation of hydroxyperchlorate: Be(ClO 4 ) 2 x4H 2 O → Be(OH)ClO 4 +HClO 4 +3H 2 O; Be(OH)ClO 4 → BeO+HClO 4 . Decomposition is accompained by melting of the sample. The mechanism of decomposition is hydrolytic. At room temperature the hydroxyperchlorate is a thick syrup-like compound crystallizing after long storing

  6. 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.

  7. 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...

  8. 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

  9. 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...

  10. 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.)

  11. 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.

  12. 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

  13. Thermochemical properties

    International Nuclear Information System (INIS)

    Brewer, L.; Lamoreaux, R.H.; California Univ., Berkeley

    1980-01-01

    A critical review of thermodynamic properties of Mo-compounds is presented. Binary Mo-compounds, elemental Mo and binary Mo-alloys are considered. The thermodynamic properties include heat capacity enthalpy, gibbs free energy, entropy, vapor pressure, partial free energy of solution. Many values are given in the table form and some values are given in the text. The data used and the procedures applied to test the data are indicated in the text

  14. Thermal decomposition of lanthanide and actinide tetrafluorides

    International Nuclear Information System (INIS)

    Gibson, J.K.; Haire, R.G.

    1988-01-01

    The thermal stabilities of several lanthanide/actinide tetrafluorides have been studied using mass spectrometry to monitor the gaseous decomposition products, and powder X-ray diffraction (XRD) to identify solid products. The tetrafluorides, TbF 4 , CmF 4 , and AmF 4 , have been found to thermally decompose to their respective solid trifluorides with accompanying release of fluorine, while cerium tetrafluoride has been found to be significantly more thermally stable and to congruently sublime as CeF 4 prior to appreciable decomposition. The results of these studies are discussed in relation to other relevant experimental studies and the thermodynamics of the decomposition processes. 9 refs., 3 figs

  15. Decomposition of lake phytoplankton. 1

    International Nuclear Information System (INIS)

    Hansen, L.; Krog, G.F.; Soendergaard, M.

    1986-01-01

    Short-time (24 h) and long-time (4-6 d) decomposition of phytoplankton cells were investigasted under in situ conditions in four Danish lakes. Carbon-14-labelled, dead algae were exposed to sterile or natural lake water and the dynamics of cell lysis and bacterial utilization of the leached products were followed. The lysis process was dominated by an initial fast water extraction. Within 2 to 4 h from 4 to 34% of the labelled carbon leached from the algal cells. After 24 h from 11 to 43% of the initial particulate carbon was found as dissolved carbon in the experiments with sterile lake water; after 4 to 6 d the leaching was from 67 to 78% of the initial 14 C. The leached compounds were utilized by bacteria. A comparison of the incubations using sterile and natural water showed that a mean of 71% of the lysis products was metabolized by microorganisms within 24 h. In two experiments the uptake rate equalled the leaching rate. (author)

  16. Decomposition of lake phytoplankton. 2

    International Nuclear Information System (INIS)

    Hansen, L.; Krog, G.F.; Soendergaard, M.

    1986-01-01

    The lysis process of phytoplankton was followed in 24 h incubations in three Danish lakes. By means of gel-chromatography it was shown that the dissolved carbon leaching from different algal groups differed in molecular weight composition. Three distinct molecular weight classes (>10,000; 700 to 10,000 and < 700 Daltons) leached from blue-green algae in almost equal proportion. The lysis products of spring-bloom diatoms included only the two smaller size classes, and the molecules between 700 and 10,000 Daltons dominated. Measurements of cell content during decomposition of the diatoms revealed polysaccharides and low molecular weight compounds to dominate the lysis products. No proteins were leached during the first 24 h after cell death. By incubating the dead algae in natural lake water, it was possible to detect a high bacterial affinity towards molecules between 700 and 10,000 Daltons, although the other size classes were also utilized. Bacterial transformation of small molecules to larger molecules could be demonstrated. (author)

  17. Heterogeneity and Networks

    OpenAIRE

    Goyal, S.

    2018-01-01

    This chapter shows that networks can have large and differentiated effects on behavior and then argues that social and economic pressures facilitate the formation of heterogenous networks. Thus networks can play an important role in understanding the wide diversity in human behaviour and in economic outcomes.

  18. Heterogeneous Computing in Economics

    DEFF Research Database (Denmark)

    Dziubinski, M.P.; Grassi, S.

    2014-01-01

    This paper shows the potential of heterogeneous computing in solving dynamic equilibrium models in economics. We illustrate the power and simplicity of C++ Accelerated Massive Parallelism (C++ AMP) recently introduced by Microsoft. Starting from the same exercise as Aldrich et al. (J Econ Dyn...

  19. Heterogeneity of Dutch rainfall

    NARCIS (Netherlands)

    Witter, J.V.

    1984-01-01

    Rainfall data for the Netherlands have been used in this study to investigate aspects of heterogeneity of rainfall, in particular local differences in rainfall levels, time trends in rainfall, and local differences in rainfall trend. The possible effect of urbanization and industrialization on the

  20. in Heterogeneous Media

    Directory of Open Access Journals (Sweden)

    Saeed Balouchi

    2013-01-01

    Full Text Available Fractured reservoirs contain about 85 and 90 percent of oil and gas resources respectively in Iran. A comprehensive study and investigation of fractures as the main factor affecting fluid flow or perhaps barrier seems necessary for reservoir development studies. High degrees of heterogeneity and sparseness of data have incapacitated conventional deterministic methods in fracture network modeling. Recently, simulated annealing (SA has been applied to generate stochastic realizations of spatially correlated fracture networks by assuming that the elastic energy of fractures follows Boltzmann distribution. Although SA honors local variability, the objective function of geometrical fracture modeling is defined for homogeneous conditions. In this study, after the introduction of SA and the derivation of the energy function, a novel technique is presented to adjust the model with highly heterogeneous data for a fractured field from the southwest of Iran. To this end, the regular object-based model is combined with a grid-based technique to cover the heterogeneity of reservoir properties. The original SA algorithm is also modified by being constrained in different directions and weighting the energy function to make it appropriate for heterogeneous conditions. The simulation results of the presented approach are in good agreement with the observed field data.

  1. Heterogeneous chromium catalysts

    NARCIS (Netherlands)

    2005-01-01

    The present invention relates to a heterogeneous chromium catalyst system for the polymerisation of ethylene and/or alpha olefins prepared by the steps of: (a) providing a silica-containing support, (b) treating the silica-containing support with a chromium compound to form a chromium-based

  2. Why does heterogeneity matter?

    Science.gov (United States)

    K.B. Pierce

    2007-01-01

    This is a review of the book "Ecosystem function in heterogeneous landscapes" published in 2005. The authors are G. Lovett, C. Jones, M.G. Turner, and K.C. Weathers. It was published by Springer, New York. The book is a synthesis of the 10th Gary conference held at the Institute of Ecosystem Studies in Millbrook, New York, in 2003.

  3. Heterogeneity and option pricing

    NARCIS (Netherlands)

    Benninga, Simon; Mayshar, Joram

    2000-01-01

    An economy with agents having constant yet heterogeneous degrees of relative risk aversion prices assets as though there were a single decreasing relative risk aversion pricing representative agent. The pricing kernel has fat tails and option prices do not conform to the Black-Scholes formula.

  4. Oxygen nonstoichiometry and thermo-chemical stability of La0.6Sr0.4CoO3−δ

    International Nuclear Information System (INIS)

    Kuhn, M.; Hashimoto, S.; Sato, K.; Yashiro, K.; Mizusaki, J.

    2013-01-01

    The oxygen nonstoichiometry of La 0.6 Sr 0.4 CoO 3−δ has been the topic of various reports in the literature, but has been exclusively measured at high oxygen partial pressures, pO 2 , and/or elevated temperatures. For applications of La 0.6 Sr 0.4 CoO 3−δ , such as solid oxide fuel cell cathodes or oxygen permeation membranes, knowledge of the oxygen nonstoichiometry and thermo-chemical stability over a wide range of pO 2 is crucial, as localized low pO 2 could trigger failure of the material and device. By employing coulometric titration combined with thermogravimetry, the oxygen nonstoichiometry of La 0.6 Sr 0.4 CoO 3−δ was measured at high and intermediate pO 2 until the material decomposed (at log(pO 2 /bar)≈−4.5 at 1073 K). For a gradually reduced sample, an offset in oxygen content suggests that La 0.6 Sr 0.4 CoO 3−δ forms a “super-reduced” solid solution before decomposing. When the sample underwent alternate reduction–oxidation, a hysteresis-like pO 2 dependence of the oxygen content in the decomposition pO 2 range was attributed to the reversible formation of ABO 3 and A 2 BO 4 phases. Reduction enthalpy and entropy were determined for the single-phase region and confirmed interpolated values from the literature. - Graphical abstract: Oxygen nonstoichiometry (shown as 3−δ) of La 0.6 Sr 0.4 CoO 3−δ as a function of pO 2 at 773–1173 K. The experimental data were obtained by thermogravimetric analysis (TG) and coulometric titration (measured either by a simple reduction (CT1) or a “two-step-forward one-step-back” reduction–oxidation (CT2) procedure). D1 and D2 denote the decomposition pO 2 . The solid lines are the fit to the thermogravimetry and CT1 data. The dashed lines represent the non-equilibrium region where the sample shows a super-reduced state. Highlights: ► Oxygen nonstoichiometry of La 0.6 Sr 0.4 CoO 3−δ at intermediate temperatures and p(O2). ► Experimental confirmation of previously interpolated

  5. Heterogeneous Materials I and Heterogeneous Materials II

    International Nuclear Information System (INIS)

    Knowles, K M

    2004-01-01

    In these two volumes the author provides a comprehensive survey of the various mathematically-based models used in the research literature to predict the mechanical, thermal and electrical properties of hetereogeneous materials, i.e., materials containing two or more phases such as fibre-reinforced polymers, cast iron and porous ceramic kiln furniture. Volume I covers linear properties such as linear dielectric constant, effective electrical conductivity and elastic moduli, while Volume II covers nonlinear properties, fracture and atomistic and multiscale modelling. Where appropriate, particular attention is paid to the use of fractal geometry and percolation theory in describing the structure and properties of these materials. The books are advanced level texts reflecting the research interests of the author which will be of significant interest to research scientists working at the forefront of the areas covered by the books. Others working more generally in the field of materials science interested in comparing predictions of properties with experimental results may well find the mathematical level quite daunting initially, as it is apparent that the author assumes a level of mathematics consistent with that taught in final year undergraduate and graduate theoretical physics courses. However, for such readers it is well worth persevering because of the in-depth coverage to which the various models are subjected, and also because of the extensive reference lists at the back of both volumes which direct readers to the various source references in the scientific literature. Thus, for the wider materials science scientific community the two volumes will be a valuable library resource. While I would have liked to see more comparison with experimental data on both ideal and 'real' heterogeneous materials than is provided by the author and a discussion of how to model strong nonlinear current--voltage behaviour in systems such as zinc oxide varistors, my overall

  6. A Decomposition Theorem for Finite Automata.

    Science.gov (United States)

    Santa Coloma, Teresa L.; Tucci, Ralph P.

    1990-01-01

    Described is automata theory which is a branch of theoretical computer science. A decomposition theorem is presented that is easier than the Krohn-Rhodes theorem. Included are the definitions, the theorem, and a proof. (KR)

  7. Spatial domain decomposition for neutron transport problems

    International Nuclear Information System (INIS)

    Yavuz, M.; Larsen, E.W.

    1989-01-01

    A spatial Domain Decomposition method is proposed for modifying the Source Iteration (SI) and Diffusion Synthetic Acceleration (DSA) algorithms for solving discrete ordinates problems. The method, which consists of subdividing the spatial domain of the problem and performing the transport sweeps independently on each subdomain, has the advantage of being parallelizable because the calculations in each subdomain can be performed on separate processors. In this paper we describe the details of this spatial decomposition and study, by numerical experimentation, the effect of this decomposition on the SI and DSA algorithms. Our results show that the spatial decomposition has little effect on the convergence rates until the subdomains become optically thin (less than about a mean free path in thickness)

  8. Pressurized thermal and hydrothermal decomposition of algae, wood chip residue, and grape marc: A comparative study

    International Nuclear Information System (INIS)

    Subagyono, Dirgarini J.N.; Marshall, Marc; Jackson, W. Roy; Chaffee, Alan L.

    2015-01-01

    Pressurized thermal decomposition of two marine algae, Pinus radiata chip residue and grape marc using high temperature, high pressure reactions has been studied. The yields and composition of the products obtained from liquefactions under CO of a mixture of biomass and H 2 O (with or without catalyst) were compared with products from liquefaction of dry biomass under N 2 , at different temperatures, gas pressures and for CO runs, water to biomass ratios. Thermochemical reactions of algae produced significantly higher dichloromethane solubles and generally higher product yields to oil and asphaltene than Pinus radiata and grape marc under the reaction conditions used. Furthermore, the biofuels derived from algae contained significant concentrations of aliphatic hydrocarbons as opposed to those from radiata pine and grape marc which were richer in aromatic compounds. The possibility of air transport fuel production from algae thus appears to have considerable advantages over that from radiata pine and grape marc. - Highlights: • Liquefaction of algae gave more oil than that of Pinus radiata and grape marc. • Reactions under CO/H 2 O produced higher yields of oil than N 2 . • Water to biomass ratio had little effect on the yields. • Bio-oil from algae contained substantial amounts of aliphatic hydrocarbons. • Pinus radiata oil was low in N but high in O

  9. KINETIC STUDY FOR THE THERMAL DECOMPOSITION OF HEMICELLULOSE ISOLATED FROM CORN STALK

    Directory of Open Access Journals (Sweden)

    Gao-Jin Lv

    2010-04-01

    Full Text Available In order to study the thermal decomposition characteristics of hemicellulose, a highly efficient procedure was carried out to extract hemicellulose from corn stalk. Several different sugar units were observed by 13C NMR spectra to show the presence and species of hemicellulose. Following isolation of the hemicellulose, experimental research on its thermal behavior were carried out with a thermogravimetric analyzer under inert atmosphere at heating rates ranging from 10 to 50°C/min, and the kinetic parameters were calculated by the Kissinger and Ozawa methods, respectively. It was found that the thermal degradation of hemicellulose mainly occurred in the temperature range 180-340°C with a final residue yield of 24% at 700°C. An increase of the heating rate could slightly increase both the temperatures at which the peak weight loss rate was observed and the maximum value of weight loss rate. The activation energy (E and the pre-exponential factor (lnA obtained by the Kissinger and Ozawa methods were 213.3kJ mol-1, 211.6kJ mol-1 and 46.2min-1, 45.9min-1, respectively. Even though the data showed little difference, the fitting degree of the Ozawa method was better than that of the Kissinger method. The experimental results and kinetic parameters may provide useful data for effective design and improvement of thermochemical conversion units.

  10. 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)

  11. 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

  12. 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

  13. 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

  14. 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...

  15. 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

  16. 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

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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

  2. 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)

  3. 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)

  4. 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 ...

  5. 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.)

  6. 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.

  7. 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.

  8. Joint Matrices Decompositions and Blind Source Separation

    Czech Academy of Sciences Publication Activity Database

    Chabriel, G.; Kleinsteuber, M.; Moreau, E.; Shen, H.; Tichavský, Petr; Yeredor, A.

    2014-01-01

    Roč. 31, č. 3 (2014), s. 34-43 ISSN 1053-5888 R&D Projects: GA ČR GA102/09/1278 Institutional support: RVO:67985556 Keywords : joint matrices decomposition * tensor decomposition * blind source separation Subject RIV: BB - Applied Statistics, Operational Research Impact factor: 5.852, year: 2014 http://library.utia.cas.cz/separaty/2014/SI/tichavsky-0427607.pdf

  9. Review on Thermal Decomposition of Ammonium Nitrate

    Science.gov (United States)

    Chaturvedi, Shalini; Dave, Pragnesh N.

    2013-01-01

    In this review data from the literature on thermal decomposition of ammonium nitrate (AN) and the effect of additives to their thermal decomposition are summarized. The effect of additives like oxides, cations, inorganic acids, organic compounds, phase-stablized CuO, etc., is discussed. The effect of an additive mainly occurs at the exothermic peak of pure AN in a temperature range of 200°C to 140°C.

  10. Note on Symplectic SVD-Like Decomposition

    Directory of Open Access Journals (Sweden)

    AGOUJIL Said

    2016-02-01

    Full Text Available The aim of this study was to introduce a constructive method to compute a symplectic singular value decomposition (SVD-like decomposition of a 2n-by-m rectangular real matrix A, based on symplectic refectors.This approach used a canonical Schur form of skew-symmetric matrix and it allowed us to compute eigenvalues for the structured matrices as Hamiltonian matrix JAA^T.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. The Sabatier Principle Illustrated by Catalytic H2O2 Decomposition on Metal Surfaces

    DEFF Research Database (Denmark)

    Laursen, Anders Bo; Man, Isabela Costinela; Trinhammer, Ole

    2011-01-01

    Heterogeneous catalysis is important in today’s industry. Hence, it is imperative to introduce students to this field and its tools. A new way of introducing one of these tools, the Sabatier principle, via a laboratory exercise is presented. A volcano plot is constructed for the well-known hetero......Heterogeneous catalysis is important in today’s industry. Hence, it is imperative to introduce students to this field and its tools. A new way of introducing one of these tools, the Sabatier principle, via a laboratory exercise is presented. A volcano plot is constructed for the well......-known heterogeneous H2O2 catalytic decomposition reaction on various metal foils. The activity per catalyst surface area versus the computationally calculated binding energy of OH groups on the catalysts is plotted. The OH group is identified as the only surface intermediate in an intuitive reaction mechanism...

  17. Microbiological decomposition of bagasse after radiation pasteurization

    International Nuclear Information System (INIS)

    Ito, Hitoshi; Ishigaki, Isao

    1987-01-01

    Microbiological decomposition of bagasse was studied for upgrading to animal feeds after radiation pasteurization. Solid-state culture media of bagasse were prepared with addition of some amount of inorganic salts for nitrogen source, and after irradiation, fungi were infected for cultivation. In this study, many kind of cellulosic fungi such as Pleurotus ostreatus, P. flavellatus, Verticillium sp., Coprinus cinereus, Lentinus edodes, Aspergillus niger, Trichoderma koningi, T. viride were used for comparison of decomposition of crude fibers. In alkali nontreated bagasse, P. ostreatus, P. flavellatus, C. cinereus and Verticillium sp. could decompose crude fibers from 25 to 34 % after one month of cultivation, whereas other fungi such as A. niger, T. koningi, T. viride, L. edodes decomposed below 10 %. On the contrary, alkali treatment enhanced the decomposition of crude fiber by A. niger, T. koningi and T. viride to be 29 to 47 % as well as Pleurotus species or C. cinereus. Other species of mushrooms such as L. edodes had a little ability of decomposition even after alkali treatment. Radiation treatment with 10 kGy could not enhance the decomposition of bagasse compared with steam treatment, whereas higher doses of radiation treatment enhanced a little of decomposition of crude fibers by microorganisms. (author)

  18. Decomposition of tetrachloroethylene by ionizing radiation

    International Nuclear Information System (INIS)

    Hakoda, T.; Hirota, K.; Hashimoto, S.

    1998-01-01

    Decomposition of tetrachloroethylene and other chloroethenes by ionizing radiation were examined to get information on treatment of industrial off-gas. Model gases, airs containing chloroethenes, were confined in batch reactors and irradiated with electron beam and gamma ray. The G-values of decomposition were larger in the order of tetrachloro- > trichloro- > trans-dichloro- > cis-dichloro- > monochloroethylene in electron beam irradiation and tetrachloro-, trichloro-, trans-dichloro- > cis-dichloro- > monochloroethylene in gamma ray irradiation. For tetrachloro-, trichloro- and trans-dichloroethylene, G-values of decomposition in EB irradiation increased with increase of chlorine atom in a molecule, while those in gamma ray irradiation were almost kept constant. The G-value of decomposition for tetrachloroethylene in EB irradiation was the largest of those for all chloroethenes. In order to examine the effect of the initial concentration on G-value of decomposition, airs containing 300 to 1,800 ppm of tetrachloroethylene were irradiated with electron beam and gamma ray. The G-values of decomposition in both irradiation increased with the initial concentration. Those in electron beam irradiation were two times larger than those in gamma ray irradiation

  19. Microbiological decomposition of bagasse after radiation pasteurization

    Energy Technology Data Exchange (ETDEWEB)

    Ito, Hitoshi; Ishigaki, Isao

    1987-11-01

    Microbiological decomposition of bagasse was studied for upgrading to animal feeds after radiation pasteurization. Solid-state culture media of bagasse were prepared with addition of some amount of inorganic salts for nitrogen source, and after irradiation, fungi were infected for cultivation. In this study, many kind of cellulosic fungi such as Pleurotus ostreatus, P. flavellatus, Verticillium sp., Coprinus cinereus, Lentinus edodes, Aspergillus niger, Trichoderma koningi, T. viride were used for comparison of decomposition of crude fibers. In alkali nontreated bagasse, P. ostreatus, P. flavellatus, C. cinereus and Verticillium sp. could decompose crude fibers from 25 to 34 % after one month of cultivation, whereas other fungi such as A. niger, T. koningi, T. viride, L. edodes decomposed below 10 %. On the contrary, alkali treatment enhanced the decomposition of crude fiber by A. niger, T. koningi and T. viride to be 29 to 47 % as well as Pleurotus species or C. cinereus. Other species of mushrooms such as L. edodes had a little ability of decomposition even after alkali treatment. Radiation treatment with 10 kGy could not enhance the decomposition of bagasse compared with steam treatment, whereas higher doses of radiation treatment enhanced a little of decomposition of crude fibers by microorganisms.

  20. Reactivity of nanoaggregations of platinum on supports of different nature in reactions of catalytic decomposition of hydrazine in acid media

    International Nuclear Information System (INIS)

    Anan'ev, A.V.; Boltoeva, M.Yu.; Grigor'ev, M.S.; Shilov, V.P.; Sharygin, L.M.

    2006-01-01

    Platinized catalysts on the basis of supports of different chemical nature are tested in reactions of catalytic hydrazine decomposition in perchloric and nitric acid solutions. In perchloric acid catalytic activity of catalysts on the basis of ceramic materials of Termoksid brand is higher of activity of catalysts on the basis of amorphous silica gel. In nitric acid solutions opposite dependence is observed. Tendency of ceramic supports to peptization in acid solutions is pointed out. Results obtained are interpreted using conceptions of energetic heterogeneity of surface atoms and hydrazine catalytic decomposition mechanisms in different media [ru

  1. Information and Heterogeneous Beliefs

    DEFF Research Database (Denmark)

    Christensen, Peter Ove; Qin, Zhenjiang

    2014-01-01

    In an incomplete market with heterogeneous prior beliefs, we show public information can have a substantial impact on the ex ante cost of capital, trading volume, and investor welfare. The Pareto effcient public information system is the system enjoying the maximum ex ante cost of capital...... and the maximum expected abnormal trading volume. Imperfect public information increases the gains-to-trade based on heterogeneously updated posterior beliefs. In an exchange economy, this leads to higher growth in the investors' certainty equivalents and, thus, a higher equilibrium interest rate, whereas the ex...... ante risk premium is unaffected by the informativeness of the public information system. Similar results are obtained in a production economy, but the impact on the ex ante cost of capital is dampened compared to the exchange economy due to welfare improving reductions in real investments to smooth...

  2. Micromechanics of heterogeneous materials

    CERN Document Server

    Buryachenko, Valeriy

    2007-01-01

    Here is an accurate and timely account of micromechanics, which spans materials science, mechanical engineering, applied mathematics, technical physics, geophysics, and biology. The book features rigorous and unified theoretical methods of applied mathematics and statistical physics in the material science of microheterogeneous media. Uniquely, it offers a useful demonstration of the systematic and fundamental research of the microstructure of the wide class of heterogeneous materials of natural and synthetic nature.

  3. Chemical heterogeneities in the interior of terrestrial bodies

    Science.gov (United States)

    Plesa, Ana-Catalina; Maurice, Maxime; Tosi, Nicola; Breuer, Doris

    2016-04-01

    Mantle chemical heterogeneities that can strongly influence the interior dynamics have been inferred for all terrestrial bodies of the Solar System and range from local to global scale. Seismic data for the Earth, differences in surface mineral compositions observed in data sets from space missions, and isotopic variations identified in laboratory analyses of meteorites or samples indicate chemically heterogeneous systems. One way to generate large scale geochemical heterogeneities is through the fractional crystallization of a liquid magma ocean. The large amount of energy available in the early stages of planetary evolution can cause melting of a significant part or perhaps even the entire mantle of a terrestrial body resulting in a liquid magma ocean. Assuming fractional crystallization, magma ocean solidification proceeds from the core-mantle boundary to the surface where dense cumulates tend to form due to iron enrichment in the evolving liquid. This process leads to a gravitationally unstable mantle, which is prone to overturn. Following cumulate overturn, a stable stratification may be reached that prevents efficient material transport. As a consequence, mantle reservoirs may be kept separate, possibly for the entire thermo-chemical evolution of a terrestrial body. Scenarios assuming fractional crystallization of a liquid magma ocean have been suggested to explain lavas with distinct composition on Mercury's surface [1], the generation of the Moon's mare basalts by sampling a reservoir consisting of overturned ilmenite-bearing cumulates [2], and the preservation of Mars' geochemical reservoirs as inferred by isotopic analysis of the SNC meteorites [3]. However, recent studies have shown that the style of the overturn as well as the subsequent density stratification are of extreme importance for the subsequent thermo-chemical evolution of a planetary body and may have a major impact on the later surface tectonics and volcanic history. The rapid formation of a

  4. Kinetic analysis of overlapping multistep thermal decomposition comprising exothermic and endothermic processes: thermolysis of ammonium dinitramide.

    Science.gov (United States)

    Muravyev, Nikita V; Koga, Nobuyoshi; Meerov, Dmitry B; Pivkina, Alla N

    2017-01-25

    This study focused on kinetic modeling of a specific type of multistep heterogeneous reaction comprising exothermic and endothermic reaction steps, as exemplified by the practical kinetic analysis of the experimental kinetic curves for the thermal decomposition of molten ammonium dinitramide (ADN). It is known that the thermal decomposition of ADN occurs as a consecutive two step mass-loss process comprising the decomposition of ADN and subsequent evaporation/decomposition of in situ generated ammonium nitrate. These reaction steps provide exothermic and endothermic contributions, respectively, to the overall thermal effect. The overall reaction process was deconvoluted into two reaction steps using simultaneously recorded thermogravimetry and differential scanning calorimetry (TG-DSC) curves by considering the different physical meanings of the kinetic data derived from TG and DSC by P value analysis. The kinetic data thus separated into exothermic and endothermic reaction steps were kinetically characterized using kinetic computation methods including isoconversional method, combined kinetic analysis, and master plot method. The overall kinetic behavior was reproduced as the sum of the kinetic equations for each reaction step considering the contributions to the rate data derived from TG and DSC. During reproduction of the kinetic behavior, the kinetic parameters and contributions of each reaction step were optimized using kinetic deconvolution analysis. As a result, the thermal decomposition of ADN was successfully modeled as partially overlapping exothermic and endothermic reaction steps. The logic of the kinetic modeling was critically examined, and the practical usefulness of phenomenological modeling for the thermal decomposition of ADN was illustrated to demonstrate the validity of the methodology and its applicability to similar complex reaction processes.

  5. Percolation in Heterogeneous Media

    International Nuclear Information System (INIS)

    Vocka, Radim

    1999-01-01

    This work is a theoretical reflection on the problematic of the modeling of heterogeneous media, that is on the way of their simple representation conserving their characteristic features. Two particular problems are addressed in this thesis. Firstly, we study the transport in porous media, that is in a heterogeneous media which structure is quenched. A pore space is represented in a simple way - a pore is symbolized as a tube of a given length and a given diameter. The fact that the correlations in the distribution of pore sizes are taken into account by a construction of a hierarchical network makes possible the modeling of porous media with a porosity distributed over several length scales. The transport in the hierarchical network shows qualitatively different phenomena from those observed in simpler models. A comparison of numerical results with experimental data shows that the hierarchical network gives a good qualitative representation of the structure of real porous media. Secondly, we study a problem of the transport in a heterogeneous media which structure is evolving during the time. The models where the evolution of the structure is not influenced by the transport are studied in detail. These models present a phase transition of the same nature as that observed on the percolation networks. We propose a new theoretical description of this transition, and we express critical exponents describing the evolution of the conductivity as a function of fundamental exponents of percolation theory. (author) [fr

  6. Aridity and decomposition processes in complex landscapes

    Science.gov (United States)

    Ossola, Alessandro; Nyman, Petter

    2015-04-01

    Decomposition of organic matter is a key biogeochemical process contributing to nutrient cycles, carbon fluxes and soil development. The activity of decomposers depends on microclimate, with temperature and rainfall being major drivers. In complex terrain the fine-scale variation in microclimate (and hence water availability) as a result of slope orientation is caused by differences in incoming radiation and surface temperature. Aridity, measured as the long-term balance between net radiation and rainfall, is a metric that can be used to represent variations in water availability within the landscape. Since aridity metrics can be obtained at fine spatial scales, they could theoretically be used to investigate how decomposition processes vary across complex landscapes. In this study, four research sites were selected in tall open sclerophyll forest along a aridity gradient (Budyko dryness index ranging from 1.56 -2.22) where microclimate, litter moisture and soil moisture were monitored continuously for one year. Litter bags were packed to estimate decomposition rates (k) using leaves of a tree species not present in the study area (Eucalyptus globulus) in order to avoid home-field advantage effects. Litter mass loss was measured to assess the activity of macro-decomposers (6mm litter bag mesh size), meso-decomposers (1 mm mesh), microbes above-ground (0.2 mm mesh) and microbes below-ground (2 cm depth, 0.2 mm mesh). Four replicates for each set of bags were installed at each site and bags were collected at 1, 2, 4, 7 and 12 months since installation. We first tested whether differences in microclimate due to slope orientation have significant effects on decomposition processes. Then the dryness index was related to decomposition rates to evaluate if small-scale variation in decomposition can be predicted using readily available information on rainfall and radiation. Decomposition rates (k), calculated fitting single pool negative exponential models, generally

  7. Empirical Mode Decomposition of Geophysical Well-log Data of Bombay Offshore Basin, Mumbai, India

    Science.gov (United States)

    Siddharth Gairola, Gaurav; Chandrasekhar, Enamundram

    2016-04-01

    Geophysical well-log data manifest the nonlinear behaviour of their respective physical properties of the heterogeneous subsurface layers as a function of depth. Therefore, nonlinear data analysis techniques must be implemented, to quantify the degree of heterogeneity in the subsurface lithologies. One such nonlinear data adaptive technique is empirical mode decomposition (EMD) technique, which facilitates to decompose the data into oscillatory signals of different wavelengths called intrinsic mode functions (IMF). In the present study EMD has been applied to gamma-ray log and neutron porosity log of two different wells: Well B and Well C located in the western offshore basin of India to perform heterogeneity analysis and compare the results with those obtained by multifractal studies of the same data sets. By establishing a relationship between the IMF number (m) and the mean wavelength associated with each IMF (Im), a heterogeneity index (ρ) associated with subsurface layers can be determined using the relation, Im=kρm, where 'k' is a constant. The ρ values bear an inverse relation with the heterogeneity of the subsurface: smaller ρ values designate higher heterogeneity and vice-versa. The ρ values estimated for different limestone payzones identified in the wells clearly show that Well C has higher degree of heterogeneity than Well B. This correlates well with the estimated Vshale values for the limestone reservoir zone showing higher shale content in Well C than Well B. The ρ values determined for different payzones of both wells will be used to quantify the degree of heterogeneity in different wells. The multifractal behaviour of each IMF of both the logs of both the wells will be compared with one another and discussed on the lines of their heterogeneity indices.

  8. Dynamic heterogeneity in life histories

    DEFF Research Database (Denmark)

    Tuljapurkar, Shripad; Steiner, Uli; Orzack, Steven Hecht

    2009-01-01

    or no fixed heterogeneity influences this trait. We propose that dynamic heterogeneity provides a 'neutral' model for assessing the possible role of unobserved 'quality' differences between individuals. We discuss fitness for dynamic life histories, and the implications of dynamic heterogeneity...... generate dynamic heterogeneity: life-history differences produced by stochastic stratum dynamics. We characterize dynamic heterogeneity in a range of species across taxa by properties of the Markov chain: the entropy, which describes the extent of heterogeneity, and the subdominant eigenvalue, which...... distributions of lifetime reproductive success. Dynamic heterogeneity contrasts with fixed heterogeneity: unobserved differences that generate variation between life histories. We show by an example that observed distributions of lifetime reproductive success are often consistent with the claim that little...

  9. Genetic heterogeneity of retinitis pigmentosa

    OpenAIRE

    Hartono, Hartono

    2015-01-01

    Genetic heterogeneity is a phenomenon in which a genetic disease can be transmitted by several modes of inheritance. The understanding of genetic heterogeneity is important in giving genetic counselling.The presence of genetic heterogeneity can be explained by the existence of:1.different mutant alleles at a single locus, and2.mutant alleles at different loci affecting the same enzyme or protein, or affecting different enzymes or proteins.To have an overall understanding of genetic heterogene...

  10. Decomposition of forest products buried in landfills

    International Nuclear Information System (INIS)

    Wang, Xiaoming; Padgett, Jennifer M.; Powell, John S.; Barlaz, Morton A.

    2013-01-01

    Highlights: • This study tracked chemical changes of wood and paper in landfills. • A decomposition index was developed to quantify carbohydrate biodegradation. • Newsprint biodegradation as measured here is greater than previous reports. • The field results correlate well with previous laboratory measurements. - Abstract: The objective of this study was to investigate the decomposition of selected wood and paper products in landfills. The decomposition of these products under anaerobic landfill conditions results in the generation of biogenic carbon dioxide and methane, while the un-decomposed portion represents a biogenic carbon sink. Information on the decomposition of these municipal waste components is used to estimate national methane emissions inventories, for attribution of carbon storage credits, and to assess the life-cycle greenhouse gas impacts of wood and paper products. Hardwood (HW), softwood (SW), plywood (PW), oriented strand board (OSB), particleboard (PB), medium-density fiberboard (MDF), newsprint (NP), corrugated container (CC) and copy paper (CP) were buried in landfills operated with leachate recirculation, and were excavated after approximately 1.5 and 2.5 yr. Samples were analyzed for cellulose (C), hemicellulose (H), lignin (L), volatile solids (VS), and organic carbon (OC). A holocellulose decomposition index (HOD) and carbon storage factor (CSF) were calculated to evaluate the extent of solids decomposition and carbon storage. Samples of OSB made from HW exhibited cellulose plus hemicellulose (C + H) loss of up to 38%, while loss for the other wood types was 0–10% in most samples. The C + H loss was up to 81%, 95% and 96% for NP, CP and CC, respectively. The CSFs for wood and paper samples ranged from 0.34 to 0.47 and 0.02 to 0.27 g OC g −1 dry material, respectively. These results, in general, correlated well with an earlier laboratory-scale study, though NP and CC decomposition measured in this study were higher than

  11. Decomposition of forest products buried in landfills

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiaoming, E-mail: xwang25@ncsu.edu [Department of Civil, Construction, and Environmental Engineering, Campus Box 7908, North Carolina State University, Raleigh, NC 27695-7908 (United States); Padgett, Jennifer M. [Department of Civil, Construction, and Environmental Engineering, Campus Box 7908, North Carolina State University, Raleigh, NC 27695-7908 (United States); Powell, John S. [Department of Chemical and Biomolecular Engineering, Campus Box 7905, North Carolina State University, Raleigh, NC 27695-7905 (United States); Barlaz, Morton A. [Department of Civil, Construction, and Environmental Engineering, Campus Box 7908, North Carolina State University, Raleigh, NC 27695-7908 (United States)

    2013-11-15

    Highlights: • This study tracked chemical changes of wood and paper in landfills. • A decomposition index was developed to quantify carbohydrate biodegradation. • Newsprint biodegradation as measured here is greater than previous reports. • The field results correlate well with previous laboratory measurements. - Abstract: The objective of this study was to investigate the decomposition of selected wood and paper products in landfills. The decomposition of these products under anaerobic landfill conditions results in the generation of biogenic carbon dioxide and methane, while the un-decomposed portion represents a biogenic carbon sink. Information on the decomposition of these municipal waste components is used to estimate national methane emissions inventories, for attribution of carbon storage credits, and to assess the life-cycle greenhouse gas impacts of wood and paper products. Hardwood (HW), softwood (SW), plywood (PW), oriented strand board (OSB), particleboard (PB), medium-density fiberboard (MDF), newsprint (NP), corrugated container (CC) and copy paper (CP) were buried in landfills operated with leachate recirculation, and were excavated after approximately 1.5 and 2.5 yr. Samples were analyzed for cellulose (C), hemicellulose (H), lignin (L), volatile solids (VS), and organic carbon (OC). A holocellulose decomposition index (HOD) and carbon storage factor (CSF) were calculated to evaluate the extent of solids decomposition and carbon storage. Samples of OSB made from HW exhibited cellulose plus hemicellulose (C + H) loss of up to 38%, while loss for the other wood types was 0–10% in most samples. The C + H loss was up to 81%, 95% and 96% for NP, CP and CC, respectively. The CSFs for wood and paper samples ranged from 0.34 to 0.47 and 0.02 to 0.27 g OC g{sup −1} dry material, respectively. These results, in general, correlated well with an earlier laboratory-scale study, though NP and CC decomposition measured in this study were higher than

  12. Local Fractional Adomian Decomposition and Function Decomposition Methods for Laplace Equation within Local Fractional Operators

    Directory of Open Access Journals (Sweden)

    Sheng-Ping Yan

    2014-01-01

    Full Text Available We perform a comparison between the local fractional Adomian decomposition and local fractional function decomposition methods applied to the Laplace equation. The operators are taken in the local sense. The results illustrate the significant features of the two methods which are both very effective and straightforward for solving the differential equations with local fractional derivative.

  13. Global decomposition experiment shows soil animal impacts on decomposition are climate-dependent

    Czech Academy of Sciences Publication Activity Database

    Wall, D.H.; Bradford, M.A.; John, M.G.St.; Trofymow, J.A.; Behan-Pelletier, V.; Bignell, D.E.; Dangerfield, J.M.; Parton, W.J.; Rusek, Josef; Voigt, W.; Wolters, V.; Gardel, H.Z.; Ayuke, F. O.; Bashford, R.; Beljakova, O.I.; Bohlen, P.J.; Brauman, A.; Flemming, S.; Henschel, J.R.; Johnson, D.L.; Jones, T.H.; Kovářová, Marcela; Kranabetter, J.M.; Kutny, L.; Lin, K.-Ch.; Maryati, M.; Masse, D.; Pokarzhevskii, A.; Rahman, H.; Sabará, M.G.; Salamon, J.-A.; Swift, M.J.; Varela, A.; Vasconcelos, H.L.; White, D.; Zou, X.

    2008-01-01

    Roč. 14, č. 11 (2008), s. 2661-2677 ISSN 1354-1013 Institutional research plan: CEZ:AV0Z60660521; CEZ:AV0Z60050516 Keywords : climate decomposition index * decomposition * litter Subject RIV: EH - Ecology, Behaviour Impact factor: 5.876, year: 2008

  14. Frequency filtering decompositions for unsymmetric matrices and matrices with strongly varying coefficients

    Energy Technology Data Exchange (ETDEWEB)

    Wagner, C.

    1996-12-31

    In 1992, Wittum introduced the frequency filtering decompositions (FFD), which yield a fast method for the iterative solution of large systems of linear equations. Based on this method, the tangential frequency filtering decompositions (TFFD) have been developed. The TFFD allow the robust and efficient treatment of matrices with strongly varying coefficients. The existence and the convergence of the TFFD can be shown for symmetric and positive definite matrices. For a large class of matrices, it is possible to prove that the convergence rate of the TFFD and of the FFD is independent of the number of unknowns. For both methods, schemes for the construction of frequency filtering decompositions for unsymmetric matrices have been developed. Since, in contrast to Wittums`s FFD, the TFFD needs only one test vector, an adaptive test vector can be used. The TFFD with respect to the adaptive test vector can be combined with other iterative methods, e.g. multi-grid methods, in order to improve the robustness of these methods. The frequency filtering decompositions have been successfully applied to the problem of the decontamination of a heterogeneous porous medium by flushing.

  15. Steganography based on pixel intensity value decomposition

    Science.gov (United States)

    Abdulla, Alan Anwar; Sellahewa, Harin; Jassim, Sabah A.

    2014-05-01

    This paper focuses on steganography based on pixel intensity value decomposition. A number of existing schemes such as binary, Fibonacci, Prime, Natural, Lucas, and Catalan-Fibonacci (CF) are evaluated in terms of payload capacity and stego quality. A new technique based on a specific representation is proposed to decompose pixel intensity values into 16 (virtual) bit-planes suitable for embedding purposes. The proposed decomposition has a desirable property whereby the sum of all bit-planes does not exceed the maximum pixel intensity value, i.e. 255. Experimental results demonstrate that the proposed technique offers an effective compromise between payload capacity and stego quality of existing embedding techniques based on pixel intensity value decomposition. Its capacity is equal to that of binary and Lucas, while it offers a higher capacity than Fibonacci, Prime, Natural, and CF when the secret bits are embedded in 1st Least Significant Bit (LSB). When the secret bits are embedded in higher bit-planes, i.e., 2nd LSB to 8th Most Significant Bit (MSB), the proposed scheme has more capacity than Natural numbers based embedding. However, from the 6th bit-plane onwards, the proposed scheme offers better stego quality. In general, the proposed decomposition scheme has less effect in terms of quality on pixel value when compared to most existing pixel intensity value decomposition techniques when embedding messages in higher bit-planes.

  16. Microbial Signatures of Cadaver Gravesoil During Decomposition.

    Science.gov (United States)

    Finley, Sheree J; Pechal, Jennifer L; Benbow, M Eric; Robertson, B K; Javan, Gulnaz T

    2016-04-01

    Genomic studies have estimated there are approximately 10(3)-10(6) bacterial species per gram of soil. The microbial species found in soil associated with decomposing human remains (gravesoil) have been investigated and recognized as potential molecular determinants for estimates of time since death. The nascent era of high-throughput amplicon sequencing of the conserved 16S ribosomal RNA (rRNA) gene region of gravesoil microbes is allowing research to expand beyond more subjective empirical methods used in forensic microbiology. The goal of the present study was to evaluate microbial communities and identify taxonomic signatures associated with the gravesoil human cadavers. Using 16S rRNA gene amplicon-based sequencing, soil microbial communities were surveyed from 18 cadavers placed on the surface or buried that were allowed to decompose over a range of decomposition time periods (3-303 days). Surface soil microbial communities showed a decreasing trend in taxon richness, diversity, and evenness over decomposition, while buried cadaver-soil microbial communities demonstrated increasing taxon richness, consistent diversity, and decreasing evenness. The results show that ubiquitous Proteobacteria was confirmed as the most abundant phylum in all gravesoil samples. Surface cadaver-soil communities demonstrated a decrease in Acidobacteria and an increase in Firmicutes relative abundance over decomposition, while buried soil communities were consistent in their community composition throughout decomposition. Better understanding of microbial community structure and its shifts over time may be important for advancing general knowledge of decomposition soil ecology and its potential use during forensic investigations.

  17. Thermal decomposition process of silver behenate

    International Nuclear Information System (INIS)

    Liu Xianhao; Lu Shuxia; Zhang Jingchang; Cao Weiliang

    2006-01-01

    The thermal decomposition processes of silver behenate have been studied by infrared spectroscopy (IR), X-ray diffraction (XRD), combined thermogravimetry-differential thermal analysis-mass spectrometry (TG-DTA-MS), transmission electron microscopy (TEM) and UV-vis spectroscopy. The TG-DTA and the higher temperature IR and XRD measurements indicated that complicated structural changes took place while heating silver behenate, but there were two distinct thermal transitions. During the first transition at 138 deg. C, the alkyl chains of silver behenate were transformed from an ordered into a disordered state. During the second transition at about 231 deg. C, a structural change took place for silver behenate, which was the decomposition of silver behenate. The major products of the thermal decomposition of silver behenate were metallic silver and behenic acid. Upon heating up to 500 deg. C, the final product of the thermal decomposition was metallic silver. The combined TG-MS analysis showed that the gas products of the thermal decomposition of silver behenate were carbon dioxide, water, hydrogen, acetylene and some small molecule alkenes. TEM and UV-vis spectroscopy were used to investigate the process of the formation and growth of metallic silver nanoparticles

  18. Heterogeneous chromatin target model

    International Nuclear Information System (INIS)

    Watanabe, Makoto

    1996-01-01

    The higher order structure of the entangled chromatin fibers in a chromosome plays a key role in molecular control mechanism involved in chromosome mutation due to ionizing radiations or chemical mutagens. The condensed superstructure of chromatin is not so rigid and regular as has been postulated in general. We have proposed a rheological explanation for the flexible network system ('chromatin network') that consists of the fluctuating assembly of nucleosome clusters linked with supertwisting DNA in a chromatin fiber ('Supertwisting Particulate Model'). We have proposed a 'Heterosensitive Target Model' for cellular radiosensitivity that is a modification of 'Heterogeneous Target Model'. The heterogeneity of chromatin target is derived from the highly condensed organization of chromatin segments consist of unstable and fragile sites in the fluctuating assembly of nucleosome clusters, namely 'supranucleosomal particles' or 'superbeads'. The models have been principally supported by our electron microscopic experiments employing 'surface - spreading whole - mount technique' since 1967. However, some deformation and artifacts in the chromatin structure are inevitable with these electron microscopic procedures. On the contrary, the 'atomic force microscope (AFM)' can be operated in liquid as well as in the air. A living specimen can be examined without any preparative procedures. Micromanipulation of the isolated chromosome is also possible by the precise positional control of a cantilever on the nanometer scale. The living human chromosomes were submerged in a solution of culture medium and observed by AFM using a liquid immersion cell. The surface - spreading whole - mount technique was applicable for this observation. The particulate chromatin segments of nucleosome clusters were clearly observed within mitotic human chromosomes in a living hydrated condition. These findings support the heterogeneity of chromatin target in a living cell. (J.P.N.)

  19. Heterogeneous Active Matter

    Science.gov (United States)

    Kolb, Thomas; Klotsa, Daphne

    Active systems are composed of self-propelled (active) particles that locally convert energy into motion and exhibit emergent collective behaviors, such as fish schooling and bird flocking. Most works so far have focused on monodisperse, one-component active systems. However, real systems are heterogeneous, and consist of several active components. We perform molecular dynamics simulations of multi-component active matter systems and report on their emergent behavior. We discuss the phase diagram of dynamic states as well as parameters where we see mixing versus segregation.

  20. Constructing Bridges between Computational Tools in Heterogeneous and Homogeneous Catalysis

    KAUST Repository

    Falivene, Laura; Kozlov, Sergey M.; Cavallo, Luigi

    2018-01-01

    Better catalysts are needed to address numerous challenges faced by humanity. In this perspective, we review concepts and tools in theoretical and computational chemistry that can help to accelerate the rational design of homogeneous and heterogeneous catalysts. In particular, we focus on the following three topics: 1) identification of key intermediates and transition states in a reaction using the energetic span model, 2) disentanglement of factors influencing the relative stability of the key species using energy decomposition analysis and the activation strain model, and 3) discovery of new catalysts using volcano relationships. To facilitate wider use of these techniques across different areas, we illustrate their potentials and pitfalls when applied to the study of homogeneous and heterogeneous catalysts.

  1. Constructing Bridges between Computational Tools in Heterogeneous and Homogeneous Catalysis

    KAUST Repository

    Falivene, Laura

    2018-05-08

    Better catalysts are needed to address numerous challenges faced by humanity. In this perspective, we review concepts and tools in theoretical and computational chemistry that can help to accelerate the rational design of homogeneous and heterogeneous catalysts. In particular, we focus on the following three topics: 1) identification of key intermediates and transition states in a reaction using the energetic span model, 2) disentanglement of factors influencing the relative stability of the key species using energy decomposition analysis and the activation strain model, and 3) discovery of new catalysts using volcano relationships. To facilitate wider use of these techniques across different areas, we illustrate their potentials and pitfalls when applied to the study of homogeneous and heterogeneous catalysts.

  2. 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.

  3. 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

  4. 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

  5. Mode decomposition methods for flows in high-contrast porous media. A global approach

    KAUST Repository

    Ghommem, Mehdi; Calo, Victor M.; Efendiev, Yalchin R.

    2014-01-01

    We apply dynamic mode decomposition (DMD) and proper orthogonal decomposition (POD) methods to flows in highly-heterogeneous porous media to extract the dominant coherent structures and derive reduced-order models via Galerkin projection. Permeability fields with high contrast are considered to investigate the capability of these techniques to capture the main flow features and forecast the flow evolution within a certain accuracy. A DMD-based approach shows a better predictive capability due to its ability to accurately extract the information relevant to long-time dynamics, in particular, the slowly-decaying eigenmodes corresponding to largest eigenvalues. Our study enables a better understanding of the strengths and weaknesses of the applicability of these techniques for flows in high-contrast porous media. Furthermore, we discuss the robustness of DMD- and POD-based reduced-order models with respect to variations in initial conditions, permeability fields, and forcing terms. © 2013 Elsevier Inc.

  6. Radiolytic decomposition of 4-bromodiphenyl ether

    International Nuclear Information System (INIS)

    Tang Liang; Xu Gang; Wu Wenjing; Shi Wenyan; Liu Ning; Bai Yulei; Wu Minghong

    2010-01-01

    Polybrominated diphenyl ethers (PBDEs) spread widely in the environment are mainly removed by photochemical and anaerobic microbial degradation. In this paper, the decomposition of 4-bromodiphenyl ether (BDE -3), the PBDEs homologues, is investigated by electron beam irradiation of its ethanol/water solution (reduction system) and acetonitrile/water solution (oxidation system). The radiolytic products were determined by GC coupled with electron capture detector, and the reaction rate constant of e sol - in the reduction system was measured at 2.7 x 10 10 L · mol -1 · s -1 by pulsed radiolysis. The results show that the BDE-3 concentration affects strongly the decomposition ratio in the alkali solution, and the reduction system has a higher BDE-3 decomposition rate than the oxidation system. This indicates that the BDE-3 was reduced by effectively capturing e sol - in radiolytic process. (authors)

  7. Parallel processing for pitch splitting decomposition

    Science.gov (United States)

    Barnes, Levi; Li, Yong; Wadkins, David; Biederman, Steve; Miloslavsky, Alex; Cork, Chris

    2009-10-01

    Decomposition of an input pattern in preparation for a double patterning process is an inherently global problem in which the influence of a local decomposition decision can be felt across an entire pattern. In spite of this, a large portion of the work can be massively distributed. Here, we discuss the advantages of geometric distribution for polygon operations with limited range of influence. Further, we have found that even the naturally global "coloring" step can, in large part, be handled in a geometrically local manner. In some practical cases, up to 70% of the work can be distributed geometrically. We also describe the methods for partitioning the problem into local pieces and present scaling data up to 100 CPUs. These techniques reduce DPT decomposition runtime by orders of magnitude.

  8. Thermal Plasma decomposition of fluoriated greenhouse gases

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Soo Seok; Watanabe, Takayuki [Tokyo Institute of Technology, Yokohama (Japan); Park, Dong Wha [Inha University, Incheon (Korea, Republic of)

    2012-02-15

    Fluorinated compounds mainly used in the semiconductor industry are potent greenhouse gases. Recently, thermal plasma gas scrubbers have been gradually replacing conventional burn-wet type gas scrubbers which are based on the combustion of fossil fuels because high conversion efficiency and control of byproduct generation are achievable in chemically reactive high temperature thermal plasma. Chemical equilibrium composition at high temperature and numerical analysis on a complex thermal flow in the thermal plasma decomposition system are used to predict the process of thermal decomposition of fluorinated gas. In order to increase economic feasibility of the thermal plasma decomposition process, increase of thermal efficiency of the plasma torch and enhancement of gas mixing between the thermal plasma jet and waste gas are discussed. In addition, noble thermal plasma systems to be applied in the thermal plasma gas treatment are introduced in the present paper.

  9. Hydrogen peroxide decomposition kinetics in aquaculture water

    DEFF Research Database (Denmark)

    Arvin, Erik; Pedersen, Lars-Flemming

    2015-01-01

    during the HP decomposition. The model assumes that the enzyme decay is controlled by an inactivation stoichiometry related to the HP decomposition. In order to make the model easily applicable, it is furthermore assumed that the COD is a proxy of the active biomass concentration of the water and thereby......Hydrogen peroxide (HP) is used in aquaculture systems where preventive or curative water treatments occasionally are required. Use of chemical agents can be challenging in recirculating aquaculture systems (RAS) due to extended water retention time and because the agents must not damage the fish...... reared or the nitrifying bacteria in the biofilters at concentrations required to eliminating pathogens. This calls for quantitative insight into the fate of the disinfectant residuals during water treatment. This paper presents a kinetic model that describes the HP decomposition in aquaculture water...

  10. Multilevel domain decomposition for electronic structure calculations

    International Nuclear Information System (INIS)

    Barrault, M.; Cances, E.; Hager, W.W.; Le Bris, C.

    2007-01-01

    We introduce a new multilevel domain decomposition method (MDD) for electronic structure calculations within semi-empirical and density functional theory (DFT) frameworks. This method iterates between local fine solvers and global coarse solvers, in the spirit of domain decomposition methods. Using this approach, calculations have been successfully performed on several linear polymer chains containing up to 40,000 atoms and 200,000 atomic orbitals. Both the computational cost and the memory requirement scale linearly with the number of atoms. Additional speed-up can easily be obtained by parallelization. We show that this domain decomposition method outperforms the density matrix minimization (DMM) method for poor initial guesses. Our method provides an efficient preconditioner for DMM and other linear scaling methods, variational in nature, such as the orbital minimization (OM) procedure

  11. 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.).

  12. 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.)

  13. 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.

  14. 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.

  15. 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.

  16. Fast approximate convex decomposition using relative concavity

    KAUST Repository

    Ghosh, Mukulika; Amato, Nancy M.; Lu, Yanyan; Lien, Jyh-Ming

    2013-01-01

    Approximate convex decomposition (ACD) is a technique that partitions an input object into approximately convex components. Decomposition into approximately convex pieces is both more efficient to compute than exact convex decomposition and can also generate a more manageable number of components. It can be used as a basis of divide-and-conquer algorithms for applications such as collision detection, skeleton extraction and mesh generation. In this paper, we propose a new method called Fast Approximate Convex Decomposition (FACD) that improves the quality of the decomposition and reduces the cost of computing it for both 2D and 3D models. In particular, we propose a new strategy for evaluating potential cuts that aims to reduce the relative concavity, rather than absolute concavity. As shown in our results, this leads to more natural and smaller decompositions that include components for small but important features such as toes or fingers while not decomposing larger components, such as the torso, that may have concavities due to surface texture. Second, instead of decomposing a component into two pieces at each step, as in the original ACD, we propose a new strategy that uses a dynamic programming approach to select a set of n c non-crossing (independent) cuts that can be simultaneously applied to decompose the component into n c+1 components. This reduces the depth of recursion and, together with a more efficient method for computing the concavity measure, leads to significant gains in efficiency. We provide comparative results for 2D and 3D models illustrating the improvements obtained by FACD over ACD and we compare with the segmentation methods in the Princeton Shape Benchmark by Chen et al. (2009) [31]. © 2012 Elsevier Ltd. All rights reserved.

  17. Fast approximate convex decomposition using relative concavity

    KAUST Repository

    Ghosh, Mukulika

    2013-02-01

    Approximate convex decomposition (ACD) is a technique that partitions an input object into approximately convex components. Decomposition into approximately convex pieces is both more efficient to compute than exact convex decomposition and can also generate a more manageable number of components. It can be used as a basis of divide-and-conquer algorithms for applications such as collision detection, skeleton extraction and mesh generation. In this paper, we propose a new method called Fast Approximate Convex Decomposition (FACD) that improves the quality of the decomposition and reduces the cost of computing it for both 2D and 3D models. In particular, we propose a new strategy for evaluating potential cuts that aims to reduce the relative concavity, rather than absolute concavity. As shown in our results, this leads to more natural and smaller decompositions that include components for small but important features such as toes or fingers while not decomposing larger components, such as the torso, that may have concavities due to surface texture. Second, instead of decomposing a component into two pieces at each step, as in the original ACD, we propose a new strategy that uses a dynamic programming approach to select a set of n c non-crossing (independent) cuts that can be simultaneously applied to decompose the component into n c+1 components. This reduces the depth of recursion and, together with a more efficient method for computing the concavity measure, leads to significant gains in efficiency. We provide comparative results for 2D and 3D models illustrating the improvements obtained by FACD over ACD and we compare with the segmentation methods in the Princeton Shape Benchmark by Chen et al. (2009) [31]. © 2012 Elsevier Ltd. All rights reserved.

  18. Separable decompositions of bipartite mixed states

    Science.gov (United States)

    Li, Jun-Li; Qiao, Cong-Feng

    2018-04-01

    We present a practical scheme for the decomposition of a bipartite mixed state into a sum of direct products of local density matrices, using the technique developed in Li and Qiao (Sci. Rep. 8:1442, 2018). In the scheme, the correlation matrix which characterizes the bipartite entanglement is first decomposed into two matrices composed of the Bloch vectors of local states. Then, we show that the symmetries of Bloch vectors are consistent with that of the correlation matrix, and the magnitudes of the local Bloch vectors are lower bounded by the correlation matrix. Concrete examples for the separable decompositions of bipartite mixed states are presented for illustration.

  19. Vector domain decomposition schemes for parabolic equations

    Science.gov (United States)

    Vabishchevich, P. N.

    2017-09-01

    A new class of domain decomposition schemes for finding approximate solutions of timedependent problems for partial differential equations is proposed and studied. A boundary value problem for a second-order parabolic equation is used as a model problem. The general approach to the construction of domain decomposition schemes is based on partition of unity. Specifically, a vector problem is set up for solving problems in individual subdomains. Stability conditions for vector regionally additive schemes of first- and second-order accuracy are obtained.

  20. Two Notes on Discrimination and Decomposition

    DEFF Research Database (Denmark)

    Nielsen, Helena Skyt

    1998-01-01

    1. It turns out that the Oaxaca-Blinder wage decomposition is inadequate when it comes to calculation of separate contributions for indicator variables. The contributions are not robust against a change of reference group. I extend the Oaxaca-Blinder decomposition to handle this problem. 2. The p....... The paper suggests how to use the logit model to decompose the gender difference in the probability of an occurrence. The technique is illustrated by an analysis of discrimination in child labor in rural Zambia....

  1. Gamma ray induced decomposition of lanthanide nitrates

    International Nuclear Information System (INIS)

    Joshi, N.G.; Garg, A.N.

    1992-01-01

    Gamma ray induced decomposition of the lanthanide nitrates, Ln(NO 3 ) 3 .xH 2 O where Ln=La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Tm and Yb has been studied at different absorbed doses up to 600 kGy. G(NO 2 - ) values depend on the absorbed dose and the nature of the outer cation. It has been observed that those lanthanides which exhibit variable valency (Ce and Eu) show lower G-values. An attempt has been made to correlate thermal and radiolytic decomposition processes. (author). 20 refs., 3 figs., 1 tab

  2. Excess Sodium Tetraphenylborate and Intermediates Decomposition Studies

    Energy Technology Data Exchange (ETDEWEB)

    Barnes, M.J.

    1998-12-07

    The stability of excess amounts of sodium tetraphenylborate (NaTPB) in the In-Tank Precipitation (ITP) facility depends on a number of variables. Concentration of palladium, initial benzene, and sodium ion as well as temperature provide the best opportunities for controlling the decomposition rate. This study examined the influence of these four variable on the reactivity of palladium-catalyzed sodium tetraphenylborate decomposition. Also, single effects tests investigated the reactivity of simulants with continuous stirring and nitrogen ventilation, with very high benzene concentrations, under washed sodium concentrations, with very high palladium concentrations, and with minimal quantities of excess NaTPB.

  3. Multiresolution signal decomposition transforms, subbands, and wavelets

    CERN Document Server

    Akansu, Ali N; Haddad, Paul R

    2001-01-01

    The uniqueness of this book is that it covers such important aspects of modern signal processing as block transforms from subband filter banks and wavelet transforms from a common unifying standpoint, thus demonstrating the commonality among these decomposition techniques. In addition, it covers such ""hot"" areas as signal compression and coding, including particular decomposition techniques and tables listing coefficients of subband and wavelet filters and other important properties.The field of this book (Electrical Engineering/Computer Science) is currently booming, which is, of course

  4. Basis of the biological decomposition of xenobiotica

    International Nuclear Information System (INIS)

    Mueller, R. von

    1993-01-01

    The ability of micro-organisms to decompose different molecules and to use them as a source of carbon, nitrogen, sulphur or energy is the basis for all biological processes for cleaning up contaminated soil. Therefore, the knowledge of these decomposition processes is an important precondition for judging which contamination can be treated biologically at all and which materials can be decomposed biologically. The decomposition schemes of the most important harmful material classes (aliphatic, aromatic and chlorinated hydrocarbons) are introduced and the consequences which arise for the practical application in biological cleaning up of contaminated soils are discussed. (orig.) [de

  5. Eigenvalue Decomposition-Based Modified Newton Algorithm

    Directory of Open Access Journals (Sweden)

    Wen-jun Wang

    2013-01-01

    Full Text Available When the Hessian matrix is not positive, the Newton direction may not be the descending direction. A new method named eigenvalue decomposition-based modified Newton algorithm is presented, which first takes the eigenvalue decomposition of the Hessian matrix, then replaces the negative eigenvalues with their absolute values, and finally reconstructs the Hessian matrix and modifies the searching direction. The new searching direction is always the descending direction. The convergence of the algorithm is proven and the conclusion on convergence rate is presented qualitatively. Finally, a numerical experiment is given for comparing the convergence domains of the modified algorithm and the classical algorithm.

  6. An investigation on thermal decomposition of DNTF-CMDB propellants

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Wei; Wang, Jiangning; Ren, Xiaoning; Zhang, Laying; Zhou, Yanshui [Xi' an Modern Chemistry Research Institute, Xi' an 710065 (China)

    2007-12-15

    The thermal decomposition of DNTF-CMDB propellants was investigated by pressure differential scanning calorimetry (PDSC) and thermogravimetry (TG). The results show that there is only one decomposition peak on DSC curves, because the decomposition peak of DNTF cannot be separated from that of the NC/NG binder. The decomposition of DNTF can be obviously accelerated by the decomposition products of the NC/NG binder. The kinetic parameters of thermal decompositions for four DNTF-CMDB propellants at 6 MPa were obtained by the Kissinger method. It is found that the reaction rate decreases with increasing content of DNTF. (Abstract Copyright [2007], Wiley Periodicals, Inc.)

  7. Study of decomposition kinetics of volatile β-diketonates of yttrium, barium and copper in flow reactor

    International Nuclear Information System (INIS)

    Devyatykh, G.G.; Gavrishchuk, E.M.; Gibin, A.M.; Dadanov, A.Yu.; Dzyubenko, N.G.; Kaul', A.R.; Nichiporuk, R.V.; Snezhko, N.T.; Ul'yanov, A.A.

    1990-01-01

    Heterogeneous oxidative decomposition of adduct of yttrium acetylacetonate with o-phenanthroline, copper acetylacetonate and barium dipivaloylmethanate in a flow-type reactor was carried out. The basic kinetic characteristics of chemical precipitation processes of films of yttrium, copper and barium oxides, which are components of high-temperature superconductors, were obtained. The values of activation energy of precipitation process of yttrium, copper and barium oxides constituted 76±10, 108±15, 81±12 (t 600 deg C) respectively

  8. Large epidemic thresholds emerge in heterogeneous networks of heterogeneous nodes

    Science.gov (United States)

    Yang, Hui; Tang, Ming; Gross, Thilo

    2015-08-01

    One of the famous results of network science states that networks with heterogeneous connectivity are more susceptible to epidemic spreading than their more homogeneous counterparts. In particular, in networks of identical nodes it has been shown that network heterogeneity, i.e. a broad degree distribution, can lower the epidemic threshold at which epidemics can invade the system. Network heterogeneity can thus allow diseases with lower transmission probabilities to persist and spread. However, it has been pointed out that networks in which the properties of nodes are intrinsically heterogeneous can be very resilient to disease spreading. Heterogeneity in structure can enhance or diminish the resilience of networks with heterogeneous nodes, depending on the correlations between the topological and intrinsic properties. Here, we consider a plausible scenario where people have intrinsic differences in susceptibility and adapt their social network structure to the presence of the disease. We show that the resilience of networks with heterogeneous connectivity can surpass those of networks with homogeneous connectivity. For epidemiology, this implies that network heterogeneity should not be studied in isolation, it is instead the heterogeneity of infection risk that determines the likelihood of outbreaks.

  9. Large epidemic thresholds emerge in heterogeneous networks of heterogeneous nodes.

    Science.gov (United States)

    Yang, Hui; Tang, Ming; Gross, Thilo

    2015-08-21

    One of the famous results of network science states that networks with heterogeneous connectivity are more susceptible to epidemic spreading than their more homogeneous counterparts. In particular, in networks of identical nodes it has been shown that network heterogeneity, i.e. a broad degree distribution, can lower the epidemic threshold at which epidemics can invade the system. Network heterogeneity can thus allow diseases with lower transmission probabilities to persist and spread. However, it has been pointed out that networks in which the properties of nodes are intrinsically heterogeneous can be very resilient to disease spreading. Heterogeneity in structure can enhance or diminish the resilience of networks with heterogeneous nodes, depending on the correlations between the topological and intrinsic properties. Here, we consider a plausible scenario where people have intrinsic differences in susceptibility and adapt their social network structure to the presence of the disease. We show that the resilience of networks with heterogeneous connectivity can surpass those of networks with homogeneous connectivity. For epidemiology, this implies that network heterogeneity should not be studied in isolation, it is instead the heterogeneity of infection risk that determines the likelihood of outbreaks.

  10. Complexity Reduction of Multiphase Flows in Heterogeneous Porous Media

    KAUST Repository

    Ghommem, Mehdi

    2015-04-22

    In this paper, we apply mode decomposition and interpolatory projection methods to speed up simulations of two-phase flows in heterogeneous porous media. We propose intrusive and nonintrusive model-reduction approaches that enable a significant reduction in the size of the subsurface flow problem while capturing the behavior of the fully resolved solutions. In one approach, we use the dynamic mode decomposition. This approach does not require any modification of the reservoir simulation code but rather post-processes a set of global snapshots to identify the dynamically relevant structures associated with the flow behavior. In the second approach, we project the governing equations of the velocity and the pressure fields on the subspace spanned by their proper-orthogonal-decomposition modes. Furthermore, we use the discrete empirical interpolation method to approximate the mobility-related term in the global-system assembly and then reduce the online computational cost and make it independent of the fine grid. To show the effectiveness and usefulness of the aforementioned approaches, we consider the SPE-10 benchmark permeability field, and present a numerical example in two-phase flow. One can efficiently use the proposed model-reduction methods in the context of uncertainty quantification and production optimization.

  11. Heterogeneous gas core reactor

    International Nuclear Information System (INIS)

    Diaz, N.J.; Dugan, E.T.

    1983-01-01

    A heterogeneous gas core nuclear reactor is disclosed comprising a core barrel provided interiorly with an array of moderator-containing tubes and being otherwise filled with a fissile and/or fertile gaseous fuel medium. The fuel medium may be flowed through the chamber and through an external circuit in which heat is extracted. The moderator may be a fluid which is flowed through the tubes and through an external circuit in which heat is extracted. The moderator may be a solid which may be cooled by a fluid flowing within the tubes and through an external heat extraction circuit. The core barrel is surrounded by moderator/coolant material. Fissionable blanket material may be disposed inwardly or outwardly of the core barrel

  12. Heterogeneity in Waardenburg syndrome.

    Science.gov (United States)

    Hageman, M J; Delleman, J W

    1977-01-01

    Heterogeneity of Waardenburg syndrome is demonstrated in a review of 1,285 patients from the literature and 34 previously unreported patients in five families in the Netherlands. The syndrome seems to consist of two genetically distinct entities that can be differentiated clinically: type I, Waardenburg syndrome with dystopia canthorum; and type II, Waardenburg syndrome without dystopia canthorum. Both types have an autosomal dominant mode of inheritance. The incidence of bilateral deafness in the two types of the syndrome was found in one-fourth with type I and about half of the patients with type II. This difference has important consequences for genetic counseling. Images Fig. 7 Fig. 8 Fig. 9 PMID:331943

  13. Quantifying hidden individual heterogeneity

    DEFF Research Database (Denmark)

    Steiner, Ulrich; Lenart, Adam; Vaupel, James W.

    Aging is assumed to be driven by the accumulation of damage or some other aging factor which shapes demographic patterns, including the classical late age mortality plateaus. However to date, heterogeneity in these damage stages is not observed. Here, we estimate underlying stage distributions...... and stage dynamics, based on observed survival patterns of isoclonal bacteria. Our results reveal demographic dynamics being dominated by low damage stages and transmission of damage from mother to daughters is low. Still, our models are too simplistic and deterministic. Explaining the observed data...... requires more stochastic processes as our current models includes. We are only at the beginning of understanding the diverse mechanism behind aging and the shaping of senescence....

  14. Receiver Heterogeneity Helps

    DEFF Research Database (Denmark)

    Kovács, Erika R.; Pedersen, Morten Videbæk; Roetter, Daniel Enrique Lucani

    2014-01-01

    Heterogeneity amongst devices and desired service are commonly seen as a source of additional challenges for setting up an efficient multi-layer multicast service. In particular, devices requiring only the base layer can become a key bottleneck to the performance for other devices. This paper...... studies the case of a wireless multi-layer multicast setting and shows that the judicious use of network coding allows devices with different computational capabilities to trade-off processing complexity for an improved quality of service. As a consequence, individual devices can determine their required...... effort, while bringing significant advantages to the system as a whole. Network coding is used as a key element to reduce signaling in order to deliver the multicast service. More importantly, our proposed approach focuses on creating some structure in the transmitted stream by allowing inter-layer...

  15. 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)

  16. A pilot test plan of the thermochemical water-splitting iodine-sulfur process

    International Nuclear Information System (INIS)

    Kubo, Shinji; Kasahara, Seiji; Okuda, Hiroyuki; Terada, Atsuhiko; Tanaka, Nobuyuki; Inaba, Yoshitomo; Ohashi, Hirofumi; Inagaki, Yoshiyuki; Onuki, Kaoru; Hino, Ryutaro

    2004-01-01

    Research and development (R and D) of hydrogen production systems using high-temperature gas-cooled reactors (HTGR) are being conducted by the Japan Atomic Research Institute (JAERI). To develop the systems, superior hydrogen production methods are essential. The thermochemical hydrogen production cycle, the IS (iodine-sulfur) process, is a prospective candidate, in which heat supplied by HTGR can be consumed for the thermal driving load. With this attractive feature, JAERI will conduct pilot-scale tests, aiming to establish technical bases for practical plant designs using HTGR. The hydrogen will be produced at a maximum rate of 30 m 3 /h, continuously using high-temperature helium gas supplied by a helium gas loop, with an electric heater of about 400 kW. The plant will employ an advanced hydroiodic acid-processing device for efficient hydrogen production, and the usefulness of the device was confirmed from mass and heat balance analysis. Through design works and the hydrogen production tests, valuable data for construction and operation will be acquired to evaluate detailed process performance for practical systems. After completing the pilot-scale tests, JAERI will move onto the next R and D step, which will be demonstrations of the IS process to which heat is supplied from a high-temperature engineering test reactor (HTTR)

  17. Development program of hydrogen production by thermo-chemical water splitting is process

    International Nuclear Information System (INIS)

    Ryutaro Hino

    2005-01-01

    The Japan Atomic Energy Research Institute (JAERI) has been conducting R and D on the HTGR and also on thermo-chemical water splitting hydrogen production by using a iodine-sulfur cycle (IS process) in the HTTR project. The continuous hydrogen production for one week was demonstrated with a bench-scale test apparatus made of glass, and the hydrogen production rare was about 31 NL/h. 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 and will be operated under the high pressure up to 2 MPa, is being designed conceptually as the next step of the IS process development aiming to realize a future nuclear hydrogen production coupled with the HTGR. In this paper, we will introduce one-week continuous hydrogen production conducted with the bench-scale test apparatus and the pilot test program including R and D and an analytical system necessary for designing the pilot test plant. MW. Figure 1 shows an overview of the HTTR-IS plant. In this paper, we will introduce latest test results obtained with the bench-scale test apparatus and concepts of key components of the IS process, a sulfuric acid (H 2 SO 4 ) and a sulfur trioxide (SO 3 ) decomposers working under high-temperature corrosive circumstance, are also introduced as well as relating R and D and an analytical system for the pilot plant design. (authors)

  18. 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)

  19. 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)

  20. 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.