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Sample records for thermal decomposition method

  1. 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

  2. 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...

  3. Thermal decomposition of γ-irradiated lead nitrate

    International Nuclear Information System (INIS)

    Nair, S.M.K.; Kumar, T.S.S.

    1990-01-01

    The thermal decomposition of unirradiated and γ-irradiated lead nitrate was studied by the gas evolution method. The decomposition proceeds through initial gas evolution, a short induction period, an acceleratory stage and a decay stage. The acceleratory and decay stages follow the Avrami-Erofeev equation. Irradiation enhances the decomposition but does not affect the shape of the decomposition curve. (author) 10 refs.; 7 figs.; 2 tabs

  4. 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.)

  5. Thermal decomposition of synthetic antlerite prepared by microwave-assisted hydrothermal method

    Energy Technology Data Exchange (ETDEWEB)

    Koga, Nobuyoshi [Chemistry Laboratory, Graduate School of Education, Hiroshima University, 1-1-1 Kagamiyama, Higashi-Hiroshima 739-8524 (Japan)], E-mail: nkoga@hiroshima-u.ac.jp; Mako, Akira; Kimizu, Takaaki; Tanaka, Yuu [Chemistry Laboratory, Graduate School of Education, Hiroshima University, 1-1-1 Kagamiyama, Higashi-Hiroshima 739-8524 (Japan)

    2008-01-30

    Copper(II) hydroxide sulfate was synthesized by a microwave-assisted hydrothermal method from a mixed solution of CuSO{sub 4} and urea. Needle-like crystals of ca. 20-30 {mu}m in length precipitated by irradiating microwave for 1 min were characterized as Cu{sub 3}(OH){sub 4}SO{sub 4} corresponding to mineral antlerite. The reaction pathway and kinetics of the thermal decomposition of the synthetic antlerite Cu{sub 3}(OH){sub 4}SO{sub 4} were investigated by means of thermoanalytical techniques complemented by powder X-ray diffractometry and microscopic observations. The thermal decomposition of Cu{sub 3}(OH){sub 4}SO{sub 4} proceeded via two separated reaction steps of dehydroxylation and desulfation to produce CuO, where crystalline phases of Cu{sub 2}OSO{sub 4} and CuO appeared as the intermediate products. The kinetic characteristics of the respective steps were discussed in comparison with those of the synthetic brochantite Cu{sub 4}(OH){sub 6}SO{sub 4} reported previously.

  6. Silica from triethylammonium tris (oxalato) silicate (IV) thermal decomposition

    International Nuclear Information System (INIS)

    Ferracin, L.C.; Ionashiro, M.; Davolos, M.R.

    1990-01-01

    Silica can be obtained from differents precursors by differents methods. In this paper it has been investigated the thermal decomposition of triethylammonium tris (oxalato) silicate (IV) to render silica. Among the trisoxalato-complexes of silicon preparation methods reviewed it has been used the Bessler's one with the reflux adaptaded in microwave oven. Thermal decomposition analysis of the compound has been made by TG-DTG and DTA curves. Silica powders obtained and heated between 300 to 900 0 C in a oven were characterized by infrared vibrational spectroscopy, X-ray powder difraction and nitrogen adsorption isotherm (BET). The triethylammonium tris (oxalato) silicate (IV) thermal decomposition takes place at 300 0 C and the silica powder obtained is non cristalline with impurities that are eliminated with heating at 400 0 C. (author) [pt

  7. 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

  8. Thermal decomposition of zirconium compounds with some aromatic hydroxycarboxylic acids

    Energy Technology Data Exchange (ETDEWEB)

    Koshel, A V; Malinko, L A; Karlysheva, K F; Sheka, I A; Shchepak, N I [AN Ukrainskoj SSR, Kiev. Inst. Obshchej i Neorganicheskoj Khimii

    1980-02-01

    By the thermogravimetry method investigated are processes of thermal decomposition of different zirconium compounds with mandelic, parabromomandelic, salicylic and sulphosalicylic acids. For identification of decomposition products the specimens have been kept at the temperature of effects up to the constant weight. Taken are IR-spectra, rentgenoarams, carried out is elementary analysis of decomposition products. It is stated that thermal decomposition of the investigated compounds passes in stages; the final product of thermolysis is ZrO/sub 2/. Nonhydrolized compounds are stable at heating in the air up to 200-265 deg. Hydroxy compounds begin to decompose at lower temperature (80-100 deg).

  9. 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.

  10. Quantum chemical aided prediction of the thermal decomposition mechanisms and temperatures of ionic liquids

    International Nuclear Information System (INIS)

    Kroon, Maaike C.; Buijs, Wim; Peters, Cor J.; Witkamp, Geert-Jan

    2007-01-01

    The long-term thermal stability of ionic liquids is of utmost importance for their industrial application. Although the thermal decomposition temperatures of various ionic liquids have been measured previously, experimental data on the thermal decomposition mechanisms and kinetics are scarce. It is desirable to develop quantitative chemical tools that can predict thermal decomposition mechanisms and temperatures (kinetics) of ionic liquids. In this work ab initio quantum chemical calculations (DFT-B3LYP) have been used to predict thermal decomposition mechanisms, temperatures and the activation energies of the thermal breakdown reactions. These quantum chemical calculations proved to be an excellent method to predict the thermal stability of various ionic liquids

  11. A handbook of decomposition methods in analytical chemistry

    International Nuclear Information System (INIS)

    Bok, R.

    1984-01-01

    Decomposition methods of metals, alloys, fluxes, slags, calcine, inorganic salts, oxides, nitrides, carbides, borides, sulfides, ores, minerals, rocks, concentrates, glasses, ceramics, organic substances, polymers, phyto- and biological materials from the viewpoint of sample preparation for analysis have been described. The methods are systemitized according to decomposition principle: thermal with the use of electricity, irradiation, dissolution with participation of chemical reactions and without it. Special equipment for different decomposition methods is described. Bibliography contains 3420 references

  12. Thermal decomposition kinetics of antimony oxychloride in air

    Institute of Scientific and Technical Information of China (English)

    阳卫军; 唐谟堂; 金胜明

    2002-01-01

    The DTA and XRD techniques were employed to study thermal decomposition mechanism of antimony oxychloride SbOCl in the air. The thermal decomposition reaction occurs in four steps, and the former three steps as: SbOCl(s)→Sb4O5Cl2(s)+SbCl3(g)→Sb8O11Cl2(s)+SbCl3(g)→Sb2O3(s)+SbCl3(g). The forth step is the oxidation of Sb2O3 by air, Sb2O3(s)+O2→Sb2O4(s). The activation energy and the order of the thermal decomposition reaction of antimony oxychloride in three steps presented in DTA curves were calculated according to Kinssinger methods from DTA curves. The values of activation energy and the order are respectively 91.97kJ/mol, 0.73 in the first step, 131.14kJ/mol, 0.63 in the second step and 146.94kJ/mol, 1.58 in the third step.

  13. 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

  14. Nanocrystalline transition metal oxides as catalysts in the thermal decomposition of ammonium perchlorate

    Energy Technology Data Exchange (ETDEWEB)

    Kapoor, Inder Pal Singh; Srivastava, Pratibha; Singh, Gurdip [Department of Chemistry, DDU Gorakhpur University, Gorakhpur (India)

    2009-08-15

    Nanocrystalline transition metal oxides (NTMOs) have been successfully prepared by three different methods: novel quick precipitation method (Cr{sub 2}O{sub 3} and Fe{sub 2}O{sub 3}); surfactant mediated method (CuO), and reduction of metal complexes with hydrazine as reducing agent (Mn{sub 2}O{sub 3}). The nano particles have been characterized by X-ray diffraction (XRD) which shows an average particle diameter of 35-54 nm. Their catalytic activity was measured in the thermal decomposition of ammonium perchlorate (AP). AP decomposition undergoes a two step process where the addition of metal oxide nanocrystals led to a shifting of the high temperature decomposition peak toward lower temperature. The kinetics of the thermal decomposition of AP and catalyzed AP has also been evaluated using model fitting and isoconversional method. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

  15. The processing of aluminum gasarites via thermal decomposition of interstitial hydrides

    Science.gov (United States)

    Licavoli, Joseph J.

    Gasarite structures are a unique type of metallic foam containing tubular pores. The original methods for their production limited them to laboratory study despite appealing foam properties. Thermal decomposition processing of gasarites holds the potential to increase the application of gasarite foams in engineering design by removing several barriers to their industrial scale production. The following study characterized thermal decomposition gasarite processing both experimentally and theoretically. It was found that significant variation was inherent to this process therefore several modifications were necessary to produce gasarites using this method. Conventional means to increase porosity and enhance pore morphology were studied. Pore morphology was determined to be more easily replicated if pores were stabilized by alumina additions and powders were dispersed evenly. In order to better characterize processing, high temperature and high ramp rate thermal decomposition data were gathered. It was found that the high ramp rate thermal decomposition behavior of several hydrides was more rapid than hydride kinetics at low ramp rates. This data was then used to estimate the contribution of several pore formation mechanisms to the development of pore structure. It was found that gas-metal eutectic growth can only be a viable pore formation mode if non-equilibrium conditions persist. Bubble capture cannot be a dominant pore growth mode due to high bubble terminal velocities. Direct gas evolution appears to be the most likely pore formation mode due to high gas evolution rate from the decomposing particulate and microstructural pore growth trends. The overall process was evaluated for its economic viability. It was found that thermal decomposition has potential for industrialization, but further refinements are necessary in order for the process to be viable.

  16. Ag nanoparticles hosted in monolithic mesoporous silica by thermal decomposition method

    International Nuclear Information System (INIS)

    Chen Wei; Zhang Junying

    2003-01-01

    Ag nanoparticles were obtained by thermal decomposition of silver nitrate within pores of mesoporous silica. Microstructure of this composite was examined by X-ray diffraction and high-resolution transmission electron microscopy. Optical measurements for the nanocomposite show that Ag particle doping leads to a large red shift of the absorption edge

  17. Thermal decomposition of ammonium diuranate, uranyl nitrate hexahydrate and uranyl peroxide

    International Nuclear Information System (INIS)

    Yulianto, T.; Mutiara, E.

    2011-01-01

    The behaviors of three types of starting powder had been investigated during their thermal decomposition processes in nitrogen, air, and hydrogen. The powder types were the products of uranyl nitrate precipitation, i.e. ADU (ammonium diuranate), UNH (uranyl nitrate hexahydrate), and UPO (uranyl peroxide). The objective of the investigation was to find out the best atmosphere that would result in good quality powder in a thermal decomposition process with the lowest temperature and the shortest period of time in order to reduce the cost of UO 2 powder preparation. Before the thermal decomposition process was initiated, all powder types were characterized for their crystal structures. The investigation was conducted by TG-DTA instrument at temperature up to 800°C and the heating rate of 10°C/minute. The crystal structures were identified by X-Ray Diffractometer with Cu-Ka radiation. The specific surface area of the powder was also observed using BET method, especially for the powder that underwent the process in hydrogen heated up to 800°C. The Results showed that the process took place faster in hydrogen, and UNH required lower thermal decomposition temperature in relations with other types of powder. (author)

  18. 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.

  19. Influence of nitrogen dioxide on the thermal decomposition of ammonium nitrate

    Directory of Open Access Journals (Sweden)

    Igor L. Kovalenko

    2015-06-01

    Full Text Available In this paper results of experimental studies of ammonium nitrate thermal decomposition in an open system under normal conditions and in NO2 atmosphere are presented. It is shown that nitrogen dioxide is the initiator of ammonium nitrate self-accelerating exothermic cyclic decomposition process. The insertion of NO2 from outside under the conditions of nonisothermal experiment reduces the characteristic temperature of the beginning of self-accelerating decomposition by 50...70 °C. Using method of isothermal exposures it is proved that thermal decomposition of ammonium nitrate in nitrogen dioxide atmosphere at 210 °C is autocatalytic (zero-order reaction. It was suggested that there is possibility of increasing the sensitivity and detonation characteristics of energy condensed systems based on ammonium nitrate by the insertion of additives which provide an earlier appearance of NO2 in the system.

  20. Thermal decomposition of rhenium (5) complexes with 1,2,4-triazole

    International Nuclear Information System (INIS)

    Amindzhanov, A.A.; Gagieva, S.Ch.; Kotegov, K.V.

    1991-01-01

    Processes of thermal decomposition of rhenium (5) complexes with 1,2,4-triazole were studied. Thermolysis products were identified on the basis of data of the element analysis, IR spectra, conductometry and other methods. It is ascertained that at the first stage of thermolysis of hydroxyl-containing monomer complexes removal of water molecules occurs, and at the second one - dimerization process with formation of Re-O-Re group. It is shown that the nature of halide ion practically does not affect the temperature of the start of intensive thermal decomposition of the complexes

  1. 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

  2. Assessment of a new method for the analysis of decomposition gases of polymers by a combining thermogravimetric solid-phase extraction and thermal desorption gas chromatography mass spectrometry.

    Science.gov (United States)

    Duemichen, E; Braun, U; Senz, R; Fabian, G; Sturm, H

    2014-08-08

    For analysis of the gaseous thermal decomposition products of polymers, the common techniques are thermogravimetry, combined with Fourier transformed infrared spectroscopy (TGA-FTIR) and mass spectrometry (TGA-MS). These methods offer a simple approach to the decomposition mechanism, especially for small decomposition molecules. Complex spectra of gaseous mixtures are very often hard to identify because of overlapping signals. In this paper a new method is described to adsorb the decomposition products during controlled conditions in TGA on solid-phase extraction (SPE) material: twisters. Subsequently the twisters were analysed with thermal desorption gas chromatography mass spectrometry (TDS-GC-MS), which allows the decomposition products to be separated and identified using an MS library. The thermoplastics polyamide 66 (PA 66) and polybutylene terephthalate (PBT) were used as example polymers. The influence of the sample mass and of the purge gas flow during the decomposition process was investigated in TGA. The advantages and limitations of the method were presented in comparison to the common analysis techniques, TGA-FTIR and TGA-MS. Copyright © 2014 Elsevier B.V. All rights reserved.

  3. Thermal decomposition studies of CuInS2

    Institute of Scientific and Technical Information of China (English)

    Sunil H. CHAKI

    2008-01-01

    Single crystals of copper indium disulphide (CuInS2) have been successfully grown by the chemical vapour transport (CVT) technique using iodine as the transporting agent. Thermogravimetric analysis (TGA) and differential thermal analysis (DTA) were carried out for the CVT grown CuInS2 single crystals. It was revealed that the crystals are thermally stable between the ambient temperature (300 K) and 845 K and that the decomposi-tion occurs sequentially in three steps. The kinetic para-meters, e.g., activation energy, order of reaction, and frequency factor were evaluated using non-mechanistic equations for thermal decomposition.

  4. Comparative evaluation of thermal decomposition behavior and thermal stability of powdered ammonium nitrate under different atmosphere conditions.

    Science.gov (United States)

    Yang, Man; Chen, Xianfeng; Wang, Yujie; Yuan, Bihe; Niu, Yi; Zhang, Ying; Liao, Ruoyu; Zhang, Zumin

    2017-09-05

    In order to analyze the thermal decomposition characteristics of ammonium nitrate (AN), its thermal behavior and stability under different conditions are studied, including different atmospheres, heating rates and gas flow rates. The evolved decomposition gases of AN in air and nitrogen are analyzed with a quadrupole mass spectrometer. Thermal stability of AN at different heating rates and gas flow rates are studied by differential scanning calorimetry, thermogravimetric analysis, paired comparison method and safety parameter evaluation. Experimental results show that the major evolved decomposition gases in air are H 2 O, NH 3 , N 2 O, NO, NO 2 and HNO 3 , while in nitrogen, H 2 O, NH 3 , NO and HNO 3 are major components. Compared with nitrogen atmosphere, lower initial and end temperatures, higher heat flux and broader reaction temperature range are obtained in air. Meanwhile, higher air gas flow rate tends to achieve lower reaction temperature and to reduce thermal stability of AN. Self-accelerating decomposition temperature of AN in air is much lower than that in nitrogen. It is considered that thermostability of AN is influenced by atmosphere, heating rate and gas flow rate, thus changes of boundary conditions will influence its thermostability, which is helpful to its safe production, storage, transportation and utilization. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. Thermal decomposition pathways of hydroxylamine: theoretical investigation on the initial steps.

    Science.gov (United States)

    Wang, Qingsheng; Wei, Chunyang; Pérez, Lisa M; Rogers, William J; Hall, Michael B; Mannan, M Sam

    2010-09-02

    Hydroxylamine (NH(2)OH) is an unstable compound at room temperature, and it has been involved in two tragic industrial incidents. Although experimental studies have been carried out to study the thermal stability of hydroxylamine, the detailed decomposition mechanism is still in debate. In this work, several density functional and ab initio methods were used in conjunction with several basis sets to investigate the initial thermal decomposition steps of hydroxylamine, including both unimolecular and bimolecular reaction pathways. The theoretical investigation shows that simple bond dissociations and unimolecular reactions are unlikely to occur. The energetically favorable initial step of decomposition pathways was determined as a bimolecular isomerization of hydroxylamine into ammonia oxide with an activation barrier of approximately 25 kcal/mol at the MPW1K level of theory. Because hydroxylamine is available only in aqueous solutions, solvent effects on the initial decomposition pathways were also studied using water cluster methods and the polarizable continuum model (PCM). In water, the activation barrier of the bimolecular isomerization reaction decreases to approximately 16 kcal/mol. The results indicate that the bimolecular isomerization pathway of hydroxylamine is more favorable in aqueous solutions. However, the bimolecular nature of this reaction means that more dilute aqueous solution will be more stable.

  6. The influence of VO2(B nanobelts on thermal decomposition of ammonium perchlorate

    Directory of Open Access Journals (Sweden)

    Zhang Yifu

    2015-09-01

    Full Text Available The influence of vanadium dioxide VO2(B on thermal decomposition of ammonium perchlorate (AP has not been reported before. In this contribution, the effect of VO2(B nanobelts on the thermal decomposition of AP was investigated by the Thermo- Gravimetric Analysis and Differential Thermal Analysis (TG/DTA. VO2(B nanobelts were hydrothermally prepared using peroxovanadium (V complexes, ethanol and water as starting materials. The thermal decomposition temperatures of AP in the presence of I wt.%, 3 wt.% and 6 wt.% of as-obtained VO2thermal decomposition temperature of AP Furthermore, the influence of the corresponding V2Os, which was obtained by thermal treatment of VO2(B nanobelts, on the thermal decomposition of AP was also investigated. The resufs showed that VO2(B nanobelts had a greater influence on the thermal decomposition temperature of AP than that of V2Os.

  7. 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.

  8. Synthesis of magnetite nanoparticles obtained by the thermal decomposition method

    International Nuclear Information System (INIS)

    Fonseca, Renilma de Sousa Pinheiro; Sinfronio, Francisco Savio Mendes; Menezes, Alan Silva de; Sharma, Surender Kumar; Silva, Fernando Carvalho; Moscoso-Londono, Oscar; Muraca, Diego; Knobel, Marcelo

    2016-01-01

    Full text: Magnetite nanoparticles have found numerous applications in biomedicine such as magnetic separation, drug delivery, magnetic resonance imaging (MRI) and hyperthermia agents [1]. These features are related to their superparamagnetic behavior, low toxicity and high functionalization [2]. Thus, this work aims to obtain oleylamine-coated magnetite nanoparticles by means of thermal decomposition method at different temperatures and reaction time. All samples were characterized by FTIR, XRD and SQUID magnetometer. The infrared spectra showed two vibrational modes at 2920 and 2850 cm -1 , assigned to the asymmetrical and symmetrical stretching of C-H groups of the oleic acid and oleylamine, respectively. The XRD pattern of the samples confirmed the formation of magnetite phase (ICSD 36314) at all temperatures. The average size of the crystallites was determined by Debye-Scherrer equation with values in the range of 1.1-1.5 nm. Field-cooled and zero field-cooled analysis demonstrate that the blocking temperature (T B ) is below room temperature in all cases, indicating that all magnetite nanoparticles are superparamagnetic at room temperature and ferrimagnetic at low temperature. (author)

  9. Synthesis of magnetite nanoparticles obtained by the thermal decomposition method

    Energy Technology Data Exchange (ETDEWEB)

    Fonseca, Renilma de Sousa Pinheiro; Sinfronio, Francisco Savio Mendes; Menezes, Alan Silva de; Sharma, Surender Kumar; Silva, Fernando Carvalho, E-mail: renilma.ufma@gmail.com [Universidade Federal do Maranhao (UFMA), Sao Luis, MA (Brazil); Moscoso-Londono, Oscar; Muraca, Diego; Knobel, Marcelo [Universidade Estadual de Campinas (UNICAMP), SP (Brazil)

    2016-07-01

    Full text: Magnetite nanoparticles have found numerous applications in biomedicine such as magnetic separation, drug delivery, magnetic resonance imaging (MRI) and hyperthermia agents [1]. These features are related to their superparamagnetic behavior, low toxicity and high functionalization [2]. Thus, this work aims to obtain oleylamine-coated magnetite nanoparticles by means of thermal decomposition method at different temperatures and reaction time. All samples were characterized by FTIR, XRD and SQUID magnetometer. The infrared spectra showed two vibrational modes at 2920 and 2850 cm{sup -1}, assigned to the asymmetrical and symmetrical stretching of C-H groups of the oleic acid and oleylamine, respectively. The XRD pattern of the samples confirmed the formation of magnetite phase (ICSD 36314) at all temperatures. The average size of the crystallites was determined by Debye-Scherrer equation with values in the range of 1.1-1.5 nm. Field-cooled and zero field-cooled analysis demonstrate that the blocking temperature (T{sub B}) is below room temperature in all cases, indicating that all magnetite nanoparticles are superparamagnetic at room temperature and ferrimagnetic at low temperature. (author)

  10. Application of isotopic substitution for studing thermal decomposition of silico-12-tungstic acid

    International Nuclear Information System (INIS)

    Khakhinov, V.V.; Pinchuk, I.N.; Tumurova, L.V.; Mokhosoev, M.V.

    1987-01-01

    Using the methods of thermal analysis and isotopic substitution, the mechanism of dehydration and decomposition of silico-12-tungstic acid hydrate is studied. It is found that H-D exchange leads to elevation of temperature of heteropoly acid decomposition. The observed isotopic effect shows that proton transfer is the limiting stage of the reaction

  11. 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...

  12. Thermal decomposition of barium valerate in argon

    DEFF Research Database (Denmark)

    Torres, P.; Norby, Poul; Grivel, Jean-Claude

    2015-01-01

    The thermal decomposition of barium valerate (Ba(C4H9CO2)(2)/Ba-pentanoate) was studied in argon by means of thermogravimetry, differential thermal analysis, IR-spectroscopy, X-ray diffraction and hot-stage optical microscopy. Melting takes place in two different steps, at 200 degrees C and 280...

  13. Organic and inorganic decomposition products from the thermal desorption of atmospheric particles

    Science.gov (United States)

    Williams, Brent J.; Zhang, Yaping; Zuo, Xiaochen; Martinez, Raul E.; Walker, Michael J.; Kreisberg, Nathan M.; Goldstein, Allen H.; Docherty, Kenneth S.; Jimenez, Jose L.

    2016-04-01

    Atmospheric aerosol composition is often analyzed using thermal desorption techniques to evaporate samples and deliver organic or inorganic molecules to various designs of detectors for identification and quantification. The organic aerosol (OA) fraction is composed of thousands of individual compounds, some with nitrogen- and sulfur-containing functionality and, often contains oligomeric material, much of which may be susceptible to decomposition upon heating. Here we analyze thermal decomposition products as measured by a thermal desorption aerosol gas chromatograph (TAG) capable of separating thermal decomposition products from thermally stable molecules. The TAG impacts particles onto a collection and thermal desorption (CTD) cell, and upon completion of sample collection, heats and transfers the sample in a helium flow up to 310 °C. Desorbed molecules are refocused at the head of a gas chromatography column that is held at 45 °C and any volatile decomposition products pass directly through the column and into an electron impact quadrupole mass spectrometer. Analysis of the sample introduction (thermal decomposition) period reveals contributions of NO+ (m/z 30), NO2+ (m/z 46), SO+ (m/z 48), and SO2+ (m/z 64), derived from either inorganic or organic particle-phase nitrate and sulfate. CO2+ (m/z 44) makes up a major component of the decomposition signal, along with smaller contributions from other organic components that vary with the type of aerosol contributing to the signal (e.g., m/z 53, 82 observed here for isoprene-derived secondary OA). All of these ions are important for ambient aerosol analyzed with the aerosol mass spectrometer (AMS), suggesting similarity of the thermal desorption processes in both instruments. Ambient observations of these decomposition products compared to organic, nitrate, and sulfate mass concentrations measured by an AMS reveal good correlation, with improved correlations for OA when compared to the AMS oxygenated OA (OOA

  14. Effect of pre-heating on the thermal decomposition kinetics of cotton

    Science.gov (United States)

    The effect of pre-heating at low temperatures (160-280°C) on the thermal decomposition kinetics of scoured cotton fabrics was investigated by thermogravimetric analysis under nonisothermal conditions. Isoconversional methods were used to calculate the activation energies for the pyrolysis after one-...

  15. Thermal decomposition of potassium bis-oxalatodiaqua- indate(III ...

    Indian Academy of Sciences (India)

    Unknown

    32), temperature programmable thermal balance, with platinum crucible as container, is used for taking thermograms in air. The rate of heating is fixed at ... Thermal decomposition of pot. bis-oxalatodiaquaindate (III).H2O. 277. 3. Results and ...

  16. Synthesis and thermal decomposition study of dysprosium trifluoroacetate

    DEFF Research Database (Denmark)

    Opata, Y. A.; Grivel, J.-C.

    2018-01-01

    A study of the thermal decomposition process of dysprosium trifluoroacetate hydrate under flowing argon is presented. Thermogravimetry, differential thermal analysis, evolved gas analysis and ex-situ x-ray diffraction techniques have been employed in the investigation. Three main stages were...

  17. Thermal decomposition of nano-enabled thermoplastics: Possible environmental health and safety implications

    International Nuclear Information System (INIS)

    Sotiriou, Georgios A.; Singh, Dilpreet; Zhang, Fang; Chalbot, Marie-Cecile G.; Spielman-Sun, Eleanor; Hoering, Lutz; Kavouras, Ilias G.; Lowry, Gregory V.; Wohlleben, Wendel; Demokritou, Philip

    2016-01-01

    Highlights: • Nano-enabled products might reach their end-of-life by thermal decomposition. • Thermal decomposition provides two by-products: released aerosol and residual ash. • Is there any nanofiller release in byproducts? • Risk assessment of potential environmental health implications. - Abstract: Nano-enabled products (NEPs) are currently part of our life prompting for detailed investigation of potential nano-release across their life-cycle. Particularly interesting is their end-of-life thermal decomposition scenario. Here, we examine the thermal decomposition of widely used NEPs, namely thermoplastic nanocomposites, and assess the properties of the byproducts (released aerosol and residual ash) and possible environmental health and safety implications. We focus on establishing a fundamental understanding on the effect of thermal decomposition parameters, such as polymer matrix, nanofiller properties, decomposition temperature, on the properties of byproducts using a recently-developed lab-based experimental integrated platform. Our results indicate that thermoplastic polymer matrix strongly influences size and morphology of released aerosol, while there was minimal but detectable nano-release, especially when inorganic nanofillers were used. The chemical composition of the released aerosol was found not to be strongly influenced by the presence of nanofiller at least for the low, industry-relevant loadings assessed here. Furthermore, the morphology and composition of residual ash was found to be strongly influenced by the presence of nanofiller. The findings presented here on thermal decomposition/incineration of NEPs raise important questions and concerns regarding the potential fate and transport of released engineered nanomaterials in environmental media and potential environmental health and safety implications.

  18. Thermal decomposition of nano-enabled thermoplastics: Possible environmental health and safety implications

    Energy Technology Data Exchange (ETDEWEB)

    Sotiriou, Georgios A.; Singh, Dilpreet; Zhang, Fang [Center for Nanotechnology and Nanotoxicology, Department of Environmental Health, T.H. Chan School of Public Health, Harvard University, 665 Huntington Ave., Boston, MA 02115 (United States); Chalbot, Marie-Cecile G. [Department of Environmental and Occupational Health, College of Public Health, University of Arkansas for Medical Sciences, Little Rock, AR 72205 (United States); Spielman-Sun, Eleanor [Department of Civil and Environmental Engineering, Carnegie Mellon University, Pittsburgh, PA 15213 (United States); Hoering, Lutz [BASF SE, Material Physics, 67056 Ludwigshafen (Germany); Kavouras, Ilias G. [Department of Environmental and Occupational Health, College of Public Health, University of Arkansas for Medical Sciences, Little Rock, AR 72205 (United States); Lowry, Gregory V. [Department of Civil and Environmental Engineering, Carnegie Mellon University, Pittsburgh, PA 15213 (United States); Wohlleben, Wendel [Center for Nanotechnology and Nanotoxicology, Department of Environmental Health, T.H. Chan School of Public Health, Harvard University, 665 Huntington Ave., Boston, MA 02115 (United States); BASF SE, Material Physics, 67056 Ludwigshafen (Germany); Demokritou, Philip, E-mail: pdemokri@hsph.harvard.edu [Center for Nanotechnology and Nanotoxicology, Department of Environmental Health, T.H. Chan School of Public Health, Harvard University, 665 Huntington Ave., Boston, MA 02115 (United States)

    2016-03-15

    Highlights: • Nano-enabled products might reach their end-of-life by thermal decomposition. • Thermal decomposition provides two by-products: released aerosol and residual ash. • Is there any nanofiller release in byproducts? • Risk assessment of potential environmental health implications. - Abstract: Nano-enabled products (NEPs) are currently part of our life prompting for detailed investigation of potential nano-release across their life-cycle. Particularly interesting is their end-of-life thermal decomposition scenario. Here, we examine the thermal decomposition of widely used NEPs, namely thermoplastic nanocomposites, and assess the properties of the byproducts (released aerosol and residual ash) and possible environmental health and safety implications. We focus on establishing a fundamental understanding on the effect of thermal decomposition parameters, such as polymer matrix, nanofiller properties, decomposition temperature, on the properties of byproducts using a recently-developed lab-based experimental integrated platform. Our results indicate that thermoplastic polymer matrix strongly influences size and morphology of released aerosol, while there was minimal but detectable nano-release, especially when inorganic nanofillers were used. The chemical composition of the released aerosol was found not to be strongly influenced by the presence of nanofiller at least for the low, industry-relevant loadings assessed here. Furthermore, the morphology and composition of residual ash was found to be strongly influenced by the presence of nanofiller. The findings presented here on thermal decomposition/incineration of NEPs raise important questions and concerns regarding the potential fate and transport of released engineered nanomaterials in environmental media and potential environmental health and safety implications.

  19. Pollutant content in marine debris and characterization by thermal decomposition

    International Nuclear Information System (INIS)

    Iñiguez, M.E.; Conesa, J.A.; Fullana, A.

    2017-01-01

    Marine debris (MDs) produces a wide variety of negative environmental, economic, safety, health and cultural impacts. Most marine litter has a very low decomposition rate (plastics), leading to a gradual accumulation in the coastal and marine environment. Characterization of the MDs has been done in terms of their pollutant content: PAHs, ClBzs, ClPhs, BrPhs, PCDD/Fs and PCBs. The results show that MDs is not a very contaminated waste. Also, thermal decomposition of MDs materials has been studied in a thermobalance at different atmospheres and heating rates. Below 400–500 K, the atmosphere does not affect the thermal degradation of the mentioned waste. However, at temperatures between 500 and 800 K the presence of oxygen accelerates the decomposition. Also, a kinetic model is proposed for the combustion of the MDs, and the decomposition is compared with that of their main constituents, i.e., polyethylene (PE), polystyrene (PS), polypropylene (PP), nylon and polyethylene-terephthalate (PET). - Highlights: • The analysis and characterization of waste from marine environment were performed. • Its pollutant content has been determined, considering PAHs, PCDD/Fs and dl-PCBs. • Thermal decomposition of MDs was studied at different atmospheres and heating rates. • Kinetic models for the combustion of the five main plastics of MDs were proposed. • Composition of the waste is calculated using thermal behavior of different plastics.

  20. Electronic structure and thermal decomposition of 5-aminotetrazole studied by UV photoelectron spectroscopy and theoretical calculations

    Energy Technology Data Exchange (ETDEWEB)

    Pinto, Rui M., E-mail: ruipinto@fct.unl.pt [CFA, Centro de Fisica Atomica, Departamento de Fisica, Faculdade de Ciencias e Tecnologia, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Dias, Antonio A.; Costa, Maria L. [CFA, Centro de Fisica Atomica, Departamento de Fisica, Faculdade de Ciencias e Tecnologia, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal)

    2011-03-18

    Graphical abstract: Gas-phase UV photoelectron spectrum of the thermal decomposition of 5-aminotetrazole (5ATZ), obtained at 245 {sup o}C, and mechanism underlying the thermal dissociation of 2H-5ATZ. Research highlights: {yields} Electronic structure of 5ATZ studied by photoelectron spectroscopy. {yields} Gas-phase 5-ATZ exists mainly as the 2H-tautomer. {yields} Thermal decomposition of 5ATZ gives N{sub 2}, NH{sub 2}CN, HN{sub 3} and HCN, at 245 {sup o}C. {yields} HCN can be originated from a carbene intermediate. - Abstract: The electronic properties and thermal decomposition of 5-aminotetrazole (5ATZ) are investigated using UV photoelectron spectroscopy (UVPES) and theoretical calculations. Simulated spectra of both 1H- and 2H-5ATZ, based on electron propagator methods, are produced in order to study the relative gas-phase tautomer population. The thermal decomposition results are rationalized in terms of intrinsic reaction coordinate (IRC) calculations. 5ATZ yields a HOMO ionization energy of 9.44 {+-} 0.04 eV and the gas-phase 5ATZ assumes mainly the 2H-form. The thermal decomposition of 5ATZ leads to the formation of N{sub 2}, HN{sub 3} and NH{sub 2}CN as the primary products, and HCN from the decomposition of a intermediate CH{sub 3}N{sub 3} compound. The reaction barriers for the formation of HN{sub 3} and N{sub 2} from 2H-5ATZ are predicted to be {approx}228 and {approx}150 kJ/mol, at the G2(MP2) level, respectively. The formation of HCN and HNNH from the thermal decomposition of a CH{sub 3}N{sub 3} carbene intermediate is also investigated.

  1. Decomposition of thermally unstable substances in film evaporators

    Energy Technology Data Exchange (ETDEWEB)

    Matz, G

    1982-10-01

    It is widely known that film evaporators are considered to permit really gentle evaporation of heat-sensitive substances. Nevertheless, decomposition of such substance still occurs to an extent depending upon the design and operation of the evaporator. In the following a distinction is made between evaporators with films not generated mechanically, namely the long tube evaporator (lTE) or climbing film evaporator, the falling film evaporator (FFE) and the multiple phase helical tube (MPT) or helical coil evaporators (TFE). Figs 1 and 2 illustrate the mode of operation. A theory of the decomposition of thermally unstable substances in these evaporators is briefly outlined and compared with measurements. Such a theory cannot be developed without any experimental checks; on the other hand, meausrements urgently need a theoretical basis if only to establish what actually has to be measured. All experiments are made with a system of readily adjustable decomposability, namely with aqueous solutions of saccharose; the thermal inversion of this compound can be controlled by addition of various amounts or concentrations of hydrochloric acid. In the absence of any catalysis by hydrochloric acid, the decomposition rates within in the temperature interval studied (60-130/sup 0/C) are so low that the experiments would take much too long and determination of the concentration differences (generally by polarimetric methods) would be very complicated. Such slight effects would also be very unfavourable for comparison with theory. (orig.)

  2. Synthesis and characterization of ZnO and Ni doped ZnO nanorods by thermal decomposition method for spintronics application

    International Nuclear Information System (INIS)

    Saravanan, R.; Santhi, Kalavathy; Sivakumar, N.; Narayanan, V.; Stephen, A.

    2012-01-01

    Zinc oxide nanorods and diluted magnetic semiconducting Ni doped ZnO nanorods were prepared by thermal decomposition method. This method is simple and cost effective. The decomposition temperature of acetate and formation of oxide were determined by TGA before the actual synthesis process. The X-ray diffraction result indicates the single phase hexagonal structure of zinc oxide. The transmission electron microscopy and scanning electron microscopy images show rod like structure of ZnO and Ni doped ZnO samples with the diameter ∼ 35 nm and the length in few micrometers. The surface analysis was performed using X-ray photoelectron spectroscopic studies. The Ni doped ZnO exhibits room temperature ferromagnetism. This diluted magnetic semiconducting Ni doped ZnO nanorods finds its application in spintronics. - Highlights: ► The method used is very simple and cost effective compared to all other methods for the preparation DMS materials. ► ZnO and Ni doped ZnO nanorods ► Ferromagnetism at room temperature

  3. Polytypic transformations during the thermal decomposition of cobalt hydroxide and cobalt hydroxynitrate

    International Nuclear Information System (INIS)

    Ramesh, Thimmasandra Narayan

    2010-01-01

    The isothermal decomposition of cobalt hydroxide and cobalt hydroxynitrate at different intervals of temperature leads to the formation of Co 3 O 4 . The phase evolution during the decomposition process was monitored using powder X-ray diffraction. The transformation of cobalt hydroxide to cobalt oxide occurs via three phase mixture while cobalt hydroxynitrate to cobalt oxide occurs through a two phase mixture. The nature of the sample and its preparation method controls the decomposition mechanism. The comparison of topotactical relationship between the precursors to the decomposed product has been reported in relation to polytypism. - Graphical abstract: Isothermal thermal decomposition studies of cobalt hydroxide and cobalt hydroxynitrate at different intervals of temperature show the metastable phase formed prior to Co 3 O 4 phase.

  4. Investigation of the thermal decomposition of some metal-substituted Keggin tungstophosphates

    International Nuclear Information System (INIS)

    Gamelas, J.A.; Couto, F.A.S.; Trovao, M.C.N.; Cavaleiro, A.M.V.; Cavaleiro, J.A.S.; Jesus, J.D.P. de

    1999-01-01

    The thermal decomposition of the tetrabutylammonium (TBA) salts (TBA) 4 H 3 [PW 11 O 39 ] and (TBA) 4 H x [PW 11 M(H 2 O)O 39 ]·nH 2 O, x = 3-(oxidation number of M), M = Mn(II), Co(II), Ni(II), Cu(II) or Fe(III), n = 0-3, has been studied by thermal analyses and the decomposition products identified by powder X-ray diffraction, FTIR and NMR spectroscopy. The organic cation started to decompose in the 150-200C range. The release of the metal M from the substituted polyoxoanions accompanied the initial degradation of the organic cations and [PW 12 O 40 ] 3- was formed as an intermediate at ca. 300C. For a comparison, the thermal decomposition of (TBA) 3 [PW 12 O 40 ] was also investigated. The thermal decomposition of the potassium salts of the lacunary and metal-substituted anions was also studied, but the formation of [PW 12 O 40 ] 3- was not observed. The temperature of decomposition of the [PW 11 M(H 2 O)O 39 ] (4+x)- anions was at least 150C higher for the potassium than for the tetrabutylammonium salts. This study exemplified that the thermal stability of some Keggin anions was dependent on the counter-cation present. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

  5. Some peculiarities of zirconium tungstate synthesis by thermal decomposition of hydrothermal precursors

    International Nuclear Information System (INIS)

    Gubanov, Alexander I.; Dedova, Elena S.; Plyusnin, Pavel E.; Filatov, Eugeny Y.; Kardash, Tatyana Y.; Korenev, Sergey V.; Kulkov, Sergey N.

    2014-01-01

    Highlights: • Synthesis of ZrW 2 O 8 using hydrothermal method. • On hydrothermal synthesis optimal conc. of HCl in the reaction mixture is 2.3 M. • Thermal decomposition of ZrW 2 O 7 ((OH) 1.5 ,Cl 0.5 )·2H 2 O begins are 200 °S. • Amorphous intermediate crystallizes into cubic single-phase ZrW 2 O 8 above 550 °S. • ZrW 2 O 8 destructed at temperatures above 700 °S. - Abstract: This article discusses some peculiarities of the synthesis of ZrW 2 O 8 (1) using thermal decomposition of the precursor ZrW 2 O 7 ((OH) 1.5 ,Cl 0.5 )·2H 2 O (2) prepared by hydrothermal method. On hydrothermal synthesis of 2 the optimal concentration of hydrochloric acid in the reaction mixture is about 2.3 M. TG approach to determine the chemical composition of the precursor was suggested. It has been found that the precursor for the synthesis of zirconium tungstate has chemical formula 2. Thermal decomposition of the precursor 2 begins at 200 °S and affords an amorphous intermediate, which crystallizes as a cubic phase 1 above 550 °S with an exoeffect. The temperature of the beginning of the transition from amorphous to the crystalline state is 350 ± 25 °S

  6. Determination of Kinetic Parameters for the Thermal Decomposition of Parthenium hysterophorus

    Directory of Open Access Journals (Sweden)

    Dhaundiyal Alok

    2018-02-01

    Full Text Available A kinetic study of pyrolysis process of Parthenium hysterophorous is carried out by using thermogravimetric analysis (TGA equipment. The present study investigates the thermal degradation and determination of the kinetic parameters such as activation E and the frequency factor A using model-free methods given by Flynn Wall and Ozawa (FWO, Kissinger-Akahira-Sonuse (KAS and Kissinger, and model-fitting (Coats Redfern. The results derived from thermal decomposition process demarcate decomposition of Parthenium hysterophorous among the three main stages, such as dehydration, active and passive pyrolysis. It is shown through DTG thermograms that the increase in the heating rate caused temperature peaks at maximum weight loss rate to shift towards higher temperature regime. The results are compared with Coats Redfern (Integral method and experimental results have shown that values of kinetic parameters obtained from model-free methods are in good agreement. Whereas the results obtained through Coats Redfern model at different heating rates are not promising, however, the diffusion models provided the good fitting with the experimental data.

  7. Method for improved decomposition of metal nitrate solutions

    Science.gov (United States)

    Haas, Paul A.; Stines, William B.

    1983-10-11

    A method for co-conversion of aqueous solutions of one or more heavy metal nitrates wherein thermal decomposition within a temperature range of about 300.degree. to 800.degree. C. is carried out in the presence of about 50 to 500% molar concentration of ammonium nitrate to total metal.

  8. Thermal decomposition of uranyl sulphate hydrate

    International Nuclear Information System (INIS)

    Sato, T.; Ozawa, F.; Ikoma, S.

    1980-01-01

    The thermal decomposition of uranyl sulphate hydrate (UO 2 SO 4 .3H 2 O) has been investigated by thermogravimetry, differential thermal analysis, X-ray diffraction and infrared spectrophotometry. As a result, it is concluded that uranyl sulphate hydrate decomposes thermally: UO 2 SO 4 .3H 2 O → UO 2 SO 4 .xH 2 O(2.5 = 2 SO 4 . 2H 2 O → UO 2 SO 4 .H 2 O → UO 2 SO 4 → α-UO 2 SO 4 → β-UO 2 SO 4 → U 3 O 8 . (author)

  9. Thermal decomposition of yttrium(III) valerate in argon

    DEFF Research Database (Denmark)

    Grivel, Jean-Claude; Yue, Zhao; Tang, Xiao

    2014-01-01

    The thermal decomposition of yttrium(III) valerate (Y(C4H9CO2)3) was studied in argon by means of thermogravimetry, differential thermal analysis, IR-spectroscopy, X-ray diffraction, in-situ synchrotron diffraction and hot-stage microscopy as well as room temperature optical microscopy. Melting...

  10. Synthesis and characterization of nanosized MgxMn1−xFe2O4 ferrites by both sol-gel and thermal decomposition methods

    International Nuclear Information System (INIS)

    De-León-Prado, Laura Elena; Cortés-Hernández, Dora Alicia; Almanza-Robles, José Manuel; Escobedo-Bocardo, José Concepción; Sánchez, Javier; Reyes-Rdz, Pamela Yajaira; Jasso-Terán, Rosario Argentina; Hurtado-López, Gilberto Francisco

    2017-01-01

    This work reports the synthesis of Mg x Mn 1−x Fe 2 O 4 (x=0–1) nanoparticles by both sol-gel and thermal decomposition methods. In order to determine the effect of synthesis conditions on the crystal structure and magnetic properties of the ferrites, the synthesis was carried out varying some parameters, including composition. By both methods it was possible to obtain ferrites having a single crystalline phase with cubic inverse spinel structure and a behavior near to that of superparamagnetic materials. Saturation magnetization values were higher for materials synthesized by sol-gel. Furthermore, in both cases particles have a spherical-like morphology and nanometric sizes (11–15 nm). Therefore, these materials can be used as thermoseeds for the treatment of cancer by magnetic hyperthermia. - Highlights: • Mg–Mn ferrites were synthesized by sol-gel and thermal decomposition methods. • Materials showed a single cubic inverse spinel crystalline structure. • Ferrites have a soft ferrimagnetic behavior close to superparamagnetic materials.

  11. Thermal Decomposition of Radiation-Damaged Polystyrene

    International Nuclear Information System (INIS)

    J Abrefah, J.; Klinger, G.S.

    2000-01-01

    The radiation-damaged polystyrene material (''polycube'') used in this study was synthesized by mixing a high-density polystyrene (''Dylene Fines No. 100'') with plutonium and uranium oxides. The polycubes were used on the Hanford Site in the 1960s for criticality studies to determine the hydrogen-to-fissile atom ratios for neutron moderation during processing of spent nuclear fuel. Upon completion of the studies, two methods were developed to reclaim the transuranic (TRU) oxides from the polymer matrix: (1) burning the polycubes in air at 873 K; and (2) heating the polycubes in the absence of oxygen and scrubbing the released monomer and other volatile organics using carbon tetrachloride. Neither of these methods was satisfactory in separating the TRU oxides from the polystyrene. Consequently, the remaining polycubes were sent to the Hanford Plutonium Finishing Plant (PFP) for storage. Over time, the high dose of alpha and gamma radiation has resulted in a polystyrene matrix that is highly cross-linked and hydrogen deficient and a stabilization process is being developed in support of Defense Nuclear Facility Safety Board Recommendation 94-1. Baseline processes involve thermal treatment to pyrolyze the polycubes in a furnace to decompose the polystyrene and separate out the TRU oxides. Thermal decomposition products from this degraded polystyrene matrix were characterized by Pacific Northwest National Laboratory to provide information for determining the environmental impact of the process and for optimizing the process parameters. A gas chromatography/mass spectrometry (GC/MS) system coupled to a horizontal tube furnace was used for the characterization studies. The decomposition studies were performed both in air and helium atmospheres at 773 K, the planned processing temperature. The volatile and semi-volatile organic products identified for the radiation-damaged polystyrene were different from those observed for virgin polystyrene. The differences were in the

  12. Thermal Decomposition Behaviors and Burning Characteristics of AN/Nitramine-Based Composite Propellant

    Science.gov (United States)

    Naya, Tomoki; Kohga, Makoto

    2015-04-01

    Ammonium nitrate (AN) has attracted much attention due to its clean burning nature as an oxidizer. However, an AN-based composite propellant has the disadvantages of low burning rate and poor ignitability. In this study, we added nitramine of cyclotrimethylene trinitramine (RDX) or cyclotetramethylene tetranitramine (HMX) as a high-energy material to AN propellants to overcome these disadvantages. The thermal decomposition and burning rate characteristics of the prepared propellants were examined as the ratio of AN and nitramine was varied. In the thermal decomposition process, AN/RDX propellants showed unique mass loss peaks in the lower temperature range that were not observed for AN or RDX propellants alone. AN and RDX decomposed continuously as an almost single oxidizer in the AN/RDX propellant. In contrast, AN/HMX propellants exhibited thermal decomposition characteristics similar to those of AN and HMX, which decomposed almost separately in the thermal decomposition of the AN/HMX propellant. The ignitability was improved and the burning rate increased by the addition of nitramine for both AN/RDX and AN/HMX propellants. The increased burning rates of AN/RDX propellants were greater than those of AN/HMX. The difference in the thermal decomposition and burning characteristics was caused by the interaction between AN and RDX.

  13. The Products of the Thermal Decomposition of CH3CHO

    Energy Technology Data Exchange (ETDEWEB)

    Vasiliou, AnGayle; Piech, Krzysztof M.; Zhang, Xu; Nimlos, Mark R.; Ahmed, Musahid; Golan, Amir; Kostko, Oleg; Osborn, David L.; Daily, John W.; Stanton, John F.; Ellison, G. Barney

    2011-04-06

    We have used a heated 2 cm x 1 mm SiC microtubular (mu tubular) reactor to decompose acetaldehyde: CH3CHO + DELTA --> products. Thermal decomposition is followed at pressures of 75 - 150 Torr and at temperatures up to 1700 K, conditions that correspond to residence times of roughly 50 - 100 mu sec in the mu tubular reactor. The acetaldehyde decomposition products are identified by two independent techniques: VUV photoionization mass spectroscopy (PIMS) and infrared (IR) absorption spectroscopy after isolation in a cryogenic matrix. Besides CH3CHO, we have studied three isotopologues, CH3CDO, CD3CHO, and CD3CDO. We have identified the thermal decomposition products CH3(PIMS), CO (IR, PIMS), H (PIMS), H2 (PIMS), CH2CO (IR, PIMS), CH2=CHOH (IR, PIMS), H2O (IR, PIMS), and HC=CH (IR, PIMS). Plausible evidence has been found to support the idea that there are at least three different thermal decomposition pathways for CH3CHO: Radical decomposition: CH3CHO + DELTA --> CH3 + [HCO] --> CH3 + H + CO Elimination: CH3CHO + DELTA --> H2 + CH2=C=O. Isomerization/elimination: CH3CHO + DELTA --> [CH2=CH-OH] --> HC=CH + H2O. Both PIMS and IR spectroscopy show compelling evidence for the participation of vinylidene, CH2=C:, as an intermediate in the decomposition of vinyl alchohol: CH2=CH-OH + DELTA --> [CH2=C:] + H2O --> HC=CH + H2O.

  14. A High Temperature Kinetic Study for the Thermal Unimolecular Decomposition of Diethyl Carbonate

    KAUST Repository

    Alabbad, Mohammed

    2017-07-08

    Thermal unimolecular decomposition of diethyl carbonate (DEC) was investigated in a shock tube by measuring ethylene concentration with a CO2 gas laser over 900 - 1200 K and 1.2 – 2.8 bar. Rate coefficients were extracted using a simple kinetic scheme comprising of thermal decomposition of DEC as initial step followed by rapid thermal decomposition of the intermediate ethyl-hydrogen-carbonate. Our results were further analysed using ab initio and master equation calculations to obtain pressure- and temperature- dependence of rate coefficients. Similar to alkyl esters, unimolecular decomposition of DEC is found to undergo six-center retro-ene elimination of ethylene in a concerted manner.

  15. A High Temperature Kinetic Study for the Thermal Unimolecular Decomposition of Diethyl Carbonate

    KAUST Repository

    Alabbad, Mohammed; Giri, Binod; Szőri, Milan; Viskolcz, Bé la; Farooq, Aamir

    2017-01-01

    Thermal unimolecular decomposition of diethyl carbonate (DEC) was investigated in a shock tube by measuring ethylene concentration with a CO2 gas laser over 900 - 1200 K and 1.2 – 2.8 bar. Rate coefficients were extracted using a simple kinetic scheme comprising of thermal decomposition of DEC as initial step followed by rapid thermal decomposition of the intermediate ethyl-hydrogen-carbonate. Our results were further analysed using ab initio and master equation calculations to obtain pressure- and temperature- dependence of rate coefficients. Similar to alkyl esters, unimolecular decomposition of DEC is found to undergo six-center retro-ene elimination of ethylene in a concerted manner.

  16. Sol–gel method to prepare graphene/Fe{sub 2}O{sub 3} aerogel and its catalytic application for the thermal decomposition of ammonium perchlorate

    Energy Technology Data Exchange (ETDEWEB)

    Lan, Yuanfei; Li, Xiaoyu; Li, Guoping; Luo, Yunjun, E-mail: yjluo@bit.edu.cn [Beijing Institute of Technology, School of Materials Science and Engineering (China)

    2015-10-15

    Graphene/Fe{sub 2}O{sub 3} (Gr/Fe{sub 2}O{sub 3}) aerogel was synthesized by a simple sol–gel method and supercritical carbon dioxide drying technique. In this study, the morphology and structure were characterized by scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, X-ray diffraction, and nitrogen sorption tests. The catalytic performance of the as-synthesized Gr/Fe{sub 2}O{sub 3} aerogel on the thermal decomposition of ammonium perchlorate (AP) was investigated by thermogravimetric and differential scanning calorimeter. The experimental results showed that Fe{sub 2}O{sub 3} with particle sizes in the nanometer range was anchored on the Gr sheets and Gr/Fe{sub 2}O{sub 3} aerogel exhibits promising catalytic effects for the thermal decomposition of AP. The decomposition temperature of AP was obviously decreased and the total heat release increased as well.

  17. Prepared by Thermal Hydro-decomposition

    Science.gov (United States)

    Prasoetsopha, N.; Pinitsoontorn, S.; Kamwanna, T.; Kurosaki, K.; Ohishi, Y.; Muta, H.; Yamanaka, S.

    2014-06-01

    The polycrystalline samples of Ca3Co4- x Ga x O9+ δ (0 ≤ x ≤ 0.15) were prepared by a simple thermal hydro-decomposition method. The high density ceramics were fabricated using a spark plasma sintering technique. The crystal structure of calcined powders was characterized by x-ray diffraction. The single phase of Ca3Co4- x Ga x O9+ δ was obtained. The scanning electron micrograph illustrated the grain alignment perpendicular to the direction of the pressure in the sintering process. The evidence from x-ray absorption near edge spectra were used to confirm the oxidation state of the Ga dopant. The thermoelectric properties of the misfit-layered of Ca3Co4- x Ga x O9+ δ were investigated. Seebeck coefficient tended to decrease with increasing Ga content due to the hole-doping effect. The electrical resistivity and thermal conductivity were monotonically decreased with increasing Ga content. The Ga doping of x = 0.15 showed the highest power factor of 3.99 × 10-4 W/mK2 at 1,023 K and the lowest thermal conductivity of 1.45 W/mK at 1,073 K. This resulted in the highest ZT of 0.29 at 1,073 K. From the optical absorption spectra, the electronic structure near the Fermi level show no significant change with Ga doping.

  18. Some peculiarities of zirconium tungstate synthesis by thermal decomposition of hydrothermal precursors

    Energy Technology Data Exchange (ETDEWEB)

    Gubanov, Alexander I., E-mail: gubanov@niic.nsc.su [Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, Akad. Lavrentiev Prospekt 3, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, Pirogova str. 2, 630090 Novosibirsk (Russian Federation); Dedova, Elena S. [Institute of Strength Physics and Materials Science, Siberian Branch of the Russian Academy of Sciences, pr. Akademicheskii 2/4, 634021 Tomsk (Russian Federation); Tomsk Polytechnic University, Lenin Avenue 30, 634050 Tomsk (Russian Federation); Plyusnin, Pavel E.; Filatov, Eugeny Y. [Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, Akad. Lavrentiev Prospekt 3, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, Pirogova str. 2, 630090 Novosibirsk (Russian Federation); Kardash, Tatyana Y. [Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, Akad. Lavrentiev Prospekt 5, 630090 Novosibirsk (Russian Federation); Korenev, Sergey V. [Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, Akad. Lavrentiev Prospekt 3, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, Pirogova str. 2, 630090 Novosibirsk (Russian Federation); Kulkov, Sergey N. [Institute of Strength Physics and Materials Science, Siberian Branch of the Russian Academy of Sciences, pr. Akademicheskii 2/4, 634021 Tomsk (Russian Federation); Tomsk Polytechnic University, Lenin Avenue 30, 634050 Tomsk (Russian Federation)

    2014-12-10

    Highlights: • Synthesis of ZrW{sub 2}O{sub 8} using hydrothermal method. • On hydrothermal synthesis optimal conc. of HCl in the reaction mixture is 2.3 M. • Thermal decomposition of ZrW{sub 2}O{sub 7}((OH){sub 1.5},Cl{sub 0.5})·2H{sub 2}O begins are 200 °S. • Amorphous intermediate crystallizes into cubic single-phase ZrW{sub 2}O{sub 8} above 550 °S. • ZrW{sub 2}O{sub 8} destructed at temperatures above 700 °S. - Abstract: This article discusses some peculiarities of the synthesis of ZrW{sub 2}O{sub 8} (1) using thermal decomposition of the precursor ZrW{sub 2}O{sub 7}((OH){sub 1.5},Cl{sub 0.5})·2H{sub 2}O (2) prepared by hydrothermal method. On hydrothermal synthesis of 2 the optimal concentration of hydrochloric acid in the reaction mixture is about 2.3 M. TG approach to determine the chemical composition of the precursor was suggested. It has been found that the precursor for the synthesis of zirconium tungstate has chemical formula 2. Thermal decomposition of the precursor 2 begins at 200 °S and affords an amorphous intermediate, which crystallizes as a cubic phase 1 above 550 °S with an exoeffect. The temperature of the beginning of the transition from amorphous to the crystalline state is 350 ± 25 °S.

  19. Thermal Decomposition of Aluminium Chloride Hexahydrate

    Czech Academy of Sciences Publication Activity Database

    Hartman, Miloslav; Trnka, Otakar; Šolcová, Olga

    2005-01-01

    Roč. 44, č. 17 (2005), s. 6591-6598 ISSN 0888-5885 R&D Projects: GA ČR(CZ) GA203/02/0002 Institutional research plan: CEZ:AV0Z40720504 Keywords : aluminum chloride hexahydrate * thermal decomposition * reaction kinetics Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 1.504, year: 2005

  20. Thermal decomposition of yttrium(III) hexanoate in argon

    DEFF Research Database (Denmark)

    Grivel, Jean-Claude; Suarez Guevara, Maria Josefina; Attique, Fahmida

    2015-01-01

    The thermal decomposition of yttrium(III) hexanoate (Y(C5H11CO2)3)·xH2O in argon was studied by means of thermogravimetry, differential thermal analysis, IR-spectroscopy, X-ray diffraction at a laboratory Cu-tube source and in-situ experiments at a synchrotron radiation source as well as hot...

  1. Extraction of Curcumin Pigment from Indonesian Local Turmeric with Its Infrared Spectra and Thermal Decomposition Properties

    Science.gov (United States)

    Nandiyanto, A. B. D.; Wiryani, A. S.; Rusli, A.; Purnamasari, A.; Abdullah, A. G.; Ana; Widiaty, I.; Hurriyati, R.

    2017-03-01

    Curcumin is one of the pigments which is used as a spice in Asian cuisine, traditional cosmetic, and medicine. Therefore, process for getting curcumin has been widely studied. Here, the purpose of this study was to demonstrate the simple method for extracting curcumin from Indonesian local turmeric and investigate the infrared spectra and thermal decomposition properties. In the experimental procedure, the washed turmeric was dissolved into an ethanol solution, and then put into a rotary evaporator to enrich curcumin concentration. The result showed that the present method is effective to isolate curcumin compound from Indonesian local turmeric. Since the process is very simple, this method can be used for home industrial application. Further, understanding the thermal decomposition properties of curcumin give information, specifically relating to the selection of treatment when curcumin must face the thermal-related process.

  2. Treatment of off-gas evolved from thermal decomposition of sludge waste

    International Nuclear Information System (INIS)

    Doo-Seong Hwang; Yun-Dong Choi; Gyeong-Hwan Jeong; Jei-Kwon Moon

    2013-01-01

    Korea Atomic Energy Research Institute (KAERI) started a decommissioning program of a uranium conversion plant. The treatment of the sludge waste, which was generated during the operation of the plant, is one of the most important tasks in the decommissioning program of the plant. The major compounds of sludge waste are nitrate salts and uranium. The sludge waste is denitrated by thermal decomposition. The treatment of off-gas evolved from the thermal decomposition of nitrate salts in the sludge waste is investigated. The nitrate salts in the sludge were decomposed in two steps: the first decomposition is due to the ammonium nitrate, and the second is due to the sodium and calcium nitrate and calcium carbonate. The components of off-gas from the decomposition of ammonium nitrate at low temperature are NH 3 , N 2 O, NO 2 , and NO. In addition, the components from the decomposition of sodium and calcium nitrate at high temperature are NO 2 and NO. Off-gas from the thermal decomposition is treated by the catalytic oxidation of ammonia and selective catalytic reduction (SCR). Ammonia is converted into nitrogen oxides through the oxidation catalyst and all nitrogen oxides are removed by SCR treatment besides nitrous oxide, which is greenhouse gas. An additional process is needed to remove nitrous oxide, and the feeding rate of ammonia in SCR should be controlled properly for evolved nitrogen oxides. (author)

  3. Influence of aging time of oleate precursor on the magnetic relaxation of cobalt ferrite nanoparticles synthesized by the thermal decomposition method

    International Nuclear Information System (INIS)

    Herrera, Adriana P.; Polo-Corrales, Liliana; Chavez, Ermides; Cabarcas-Bolivar, Jari; Uwakweh, Oswald N.C.; Rinaldi, Carlos

    2013-01-01

    Cobalt ferrite nanoparticles are of interest because of their room temperature coercivity and high magnetic anisotropy constant, which make them attractive in applications such as sensors based on the Brownian relaxation mechanism and probes to determine the mechanical properties of complex fluids at the nanoscale. These nanoparticles can be synthesized with a narrow size distribution by the thermal decomposition of an iron–cobalt oleate precursor in a high boiling point solvent. We studied the influence of aging time of the iron–cobalt oleate precursor on the structure, chemical composition, size, and magnetic relaxation of cobalt ferrite nanoparticles synthesized by the thermal decomposition method. The structure and thermal behavior of the iron–cobalt oleate was studied during the aging process. Infrared spectra indicated a shift in the coordination state of the oleate and iron/cobalt ions from bidentate to bridging coordination. Aging seemed to influence the thermal decomposition of the iron–cobalt oleate as determined from thermogravimmetric analysis and differential scanning calorimetry, where shifts in the temperatures corresponding to decomposition events and a narrowing of the endotherms associated with these events were observed. Aging promoted formation of the spinel crystal structure, as determined from X-ray diffraction, and influenced the nanoparticle magnetic properties, resulting in an increase in blocking temperature and magnetocrystalline anisotropy. Mossbauer spectra also indicated changes in the magnetic properties resulting from aging of the precursor oleate. Although all samples exhibited some degree of Brownian relaxation, as determined from complex susceptibility measurements in a liquid medium, aging of the iron–cobalt oleate precursor resulted in crossing of the in-phase χ′and out-of-phase χ″ components of the complex susceptibility at the frequency of the Brownian magnetic relaxation peak, as expected for nanoparticles

  4. Pollutant content in marine debris and characterization by thermal decomposition.

    Science.gov (United States)

    Iñiguez, M E; Conesa, J A; Fullana, A

    2017-04-15

    Marine debris (MDs) produces a wide variety of negative environmental, economic, safety, health and cultural impacts. Most marine litter has a very low decomposition rate (plastics), leading to a gradual accumulation in the coastal and marine environment. Characterization of the MDs has been done in terms of their pollutant content: PAHs, ClBzs, ClPhs, BrPhs, PCDD/Fs and PCBs. The results show that MDs is not a very contaminated waste. Also, thermal decomposition of MDs materials has been studied in a thermobalance at different atmospheres and heating rates. Below 400-500K, the atmosphere does not affect the thermal degradation of the mentioned waste. However, at temperatures between 500 and 800K the presence of oxygen accelerates the decomposition. Also, a kinetic model is proposed for the combustion of the MDs, and the decomposition is compared with that of their main constituents, i.e., polyethylene (PE), polystyrene (PS), polypropylene (PP), nylon and polyethylene-terephthalate (PET). Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. Thermal decomposition of 2-methylbenzoates of rare earth elements

    International Nuclear Information System (INIS)

    Brzyska, W.; Szubartowski, L.

    1980-01-01

    The conditions of thermal decomposition of La, Ce(3), Pr, Nd, Sm and Y 2-methylbenzoates were examined. On the basis of obtained results it was stated that hydrated 2-methylbenzoates were subjected to dehydration passing into anhydrated salts and then they decomposed into oxides. The activation energy of dehydration and decomposition reactions of lanthanons, La and Y 2-methylbenzoates was determined. (author)

  6. Thermal decomposition of yttrium(III) propionate and butyrate

    DEFF Research Database (Denmark)

    Grivel, Jean-Claude

    2013-01-01

    The thermal decompositions of yttrium(III) propionate monohydrate (Y(C2H5CO2)3·H2O) and yttrium(III) butyrate dihydrate (Y(C3H7CO2)3·2H2O) were studied in argon by means of thermogravimetry, differential thermal analysis, IR-spectroscopy, X-ray diffraction and hot-stage microscopy. These two...

  7. Thermal decomposition studies of aqueous and nitric solutions of hydroxyurea

    International Nuclear Information System (INIS)

    Shekhar Kumar; Pranay Kumar Sinha; Kamachi Mudali, U.; Natarajan, R.

    2012-01-01

    Hydroxyurea and its derivatives are important nonsalt forming reductants in partitioning of uranium and plutonium in the nuclear fuel reprocessing operations. There is no experimental data available in open literature describing pressurization due to the thermal decomposition of aqueous and nitric solutions of hydroxyurea at elevated temperatures. Authors studied thermal decomposition of hydroxyurea-nitric acid system and resultant pressurization at various concentrations of nitric acid in an adiabatic calorimeter in closed-vent conditions. During these experiments, pressurization was observed. In this paper, results of these experiments have been discussed. (author)

  8. High-energy coordination polymers (CPs) exhibiting good catalytic effect on the thermal decomposition of ammonium dinitramide

    Science.gov (United States)

    Li, Xin; Han, Jing; Zhang, Sheng; Zhai, Lianjie; Wang, Bozhou; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli

    2017-09-01

    High-energy coordination polymers (CPs) not only exhibit good energetic performances but also have a good catalytic effect on the thermal decomposition of energetic materials. In this contribution, two high-energy CPs Cu2(DNBT)2(CH3OH)(H2O)3·3H2O (1) and [Cu3(DDT)2(H2O)2]n (2) (H2DNBT = 3,3‧-dinitro-5,5‧-bis(1H-1,2,4-triazole and H3DDT = 4,5-bis(1H-tetrazol-5-yl)-2H-1,2,3-triazole) were synthesized and structurally characterized. Furthermore, 1 was thermos-dehydrated to produce Cu2(DNBT)2(CH3OH)(H2O)3 (1a). The thermal decomposition kinetics of 1, 1a and 2 were studied by Kissinger's method and Ozawa's method. Thermal analyses and sensitivity tests show that all compounds exhibit high thermal stability and low sensitivity for external stimuli. Meanwhile, all compounds have large positive enthalpy of formation, which are calculated as being (1067.67 ± 2.62) kJ mol-1 (1), (1464.12 ± 3.12) kJ mol-1 (1a) and (3877.82 ± 2.75) kJ mol-1 (2), respectively. The catalytic effects of 1a and 2 on the thermal decomposition of ammonium dinitramide (ADN) were also investigated.

  9. Synthesis of CNTs/CuO and its catalytic performance on the thermal decomposition of ammonium perchlorate

    Directory of Open Access Journals (Sweden)

    Ping Cui

    2016-05-01

    Full Text Available Copper oxide (CuO nanoparticles were successfully deposited on carbon nanotubes’ (CNTs surface via complex-precipitation method, the nanocomposite was characterized by transmission electron microscopy (TEM, scanning electron microscopy (SEM, X-ray photoelectron spectroscopy (XPS, X-ray powder diffraction (XRD, Raman spectroscopy, Fourier transform infrared (FT-IR and Brunauer–Emmett–Teller (BET. The catalytic performance of CNTs/CuO on ammonium perchlorate (AP decomposition was analyzed by differential thermal analyzer (DTA, the DTA results showed its excellent catalytic effect on AP decomposition, as 8 wt.% CNTs/CuO was added in AP, the second exothermic peak temperature decreased by 158 °C. Such composite may be a promising candidate for catalyzing the AP thermal decomposition.

  10. Development of decomposition method for chlorofluorocarbon (CFC) solvent by irradiation

    International Nuclear Information System (INIS)

    Shimokawa, Toshinari; Nakagawa, Seiko

    1995-01-01

    CFC is chemically and thermally stable, and almost harmless to human body, therefore, it has been used widely for various industries, in particular as the heat media for air conditioners and the washing agent for semiconductors and printed circuit substrates. In 1974, it was pointed out that CFC causes the breakdown of ozone layer, and the ozone hole was found, consequently, it was decided to limit its use, and to prohibit the production of specific CFC. The development of the decomposition treatment technology for the CFC now in use, which is friendly to the global environment including mankind and ozone layer, is strongly desired. Recently, the authors have examined the decomposition treatment method for specific CFC solvents by irradiation, and obtained the interesting knowledge. For the experiment, the CFC 113 was used, and its chemical structure is shown. The experimental method is explained. As the results, the effect of hydroxide ions, the decomposition products such as CFC 123, and the presumption of the mechanism of the chain dechlorination reaction of CFC 113 are reported. The irradiation decomposition method was compared with various other methods, and the cost of treatment is high. The development for hereafter is mentioned. (K.I.)

  11. Radiation effects on thermal decomposition of inorganic solids

    International Nuclear Information System (INIS)

    Dedgaonkar, V.G.

    1985-01-01

    Radiation effects on the thermal decomposition characteristics of inorganic oxyanions like permanganates, nitrates, zeolites and particularly ammonium perchlorate (AP) have been highlighted.The last compound finds wide application as an oxidizer in solid rocket propellents and although several hundred papers have been published on it during the last 30-40 years, most of which from the point of view of understanding and controlling the decomposition behaviour, there are only a few reports available in this area following the radiation treatment. (author)

  12. A novel hydrolysis method to synthesize chromium hydroxide nanoparticles and its catalytic effect in the thermal decomposition of ammonium perchlorate

    International Nuclear Information System (INIS)

    Li, Ping; Zhou, Zhen; Xu, Hongbin; Zhang, Yi

    2012-01-01

    Highlights: ► Synthesis of Cr(OH) 3 nanoparticles in Cr 3+ –F − aqueous solution. ► The F − ion tailors coagulated materials, Cr(OH) 3 nanoparticles are obtained. ► Adding nanosized Cr(OH) 3 , AP thermal decomposition temperature decreases to 200 °C. ► The nanosized Cr(OH) 3 catalyzes NH 3 oxidation, accelerating AP thermal decomposition. - Abstract: A procedure for the preparation of spherical Cr(OH) 3 nanoparticles was developed based on the aging of chromium nitrate aqueous solutions in the presence of sodium fluoride, urea, and polyvinylpyrrolidone. Using scanning electron microscopy, transmission electron microscopy, and energy dispersive spectroscopy, the morphological characteristics of Cr(OH) 3 were controlled by altering the molar ratio of fluoride ion to chromium ion, as well as the initial pH and chromium ion concentration. The prepared nanosized Cr(OH) 3 decreased the temperature required to decompose ammonium perchlorate from 450 °C to about 250 °C as the catalyst. The possible catalytic mechanism of the thermal decomposition of ammonium perchlorate was also discussed.

  13. Thermogravimetric and kinetic analysis of thermal decomposition characteristics of low-lipid microalgae.

    Science.gov (United States)

    Gai, Chao; Zhang, Yuanhui; Chen, Wan-Ting; Zhang, Peng; Dong, Yuping

    2013-12-01

    The thermal decomposition behavior of two microalgae, Chlorella pyrenoidosa (CP) and Spirulina platensis (SP), were investigated on a thermogravimetric analyzer under non-isothermal conditions. Iso-conversional Vyazovkin approach was used to calculate the kinetic parameters, and the universal integral method was applied to evaluate the most probable mechanisms for thermal degradation of the two feedstocks. The differential equations deduced from the models were compared with experimental data. For the range of conversion fraction investigated (20-80%), the thermal decomposition process of CP could be described by the reaction order model (F3), which can be calculated by the integral equation of G(α) = [(1 - α)(-2) - 1]/2. And the apparent activation energy was in the range of 58.85-114.5 kJ/mol. As for SP, it can be described by the reaction order model (F2), which can be calculated by the integral equation of G(α) = (1 - α)(-1) - 1, and the range of apparent activation energy was 74.35-140.1 kJ/mol. Copyright © 2013 Elsevier Ltd. All rights reserved.

  14. Influence of ammonium nitrate on kinetics and mechanism of thermal decomposition of ammonium polyuranates

    International Nuclear Information System (INIS)

    Karelin, A.I.; Lobas, O.P.; Zhiganov, A.N.; Vasil'ev, K.F.; Zhiganova, A.A.

    1988-01-01

    The influence of ammonium nitrate on the mechanism and kinetics of dehydration and thermal decomposition of ammonium polyuranates was studied. An appreciable influence of the nitrate ion content in the samples of ammonium polyuranates on the development of thermal stability has been noted. The kinetic parameters of the thermal decomposition of ammonium polyuranates have been evaluated. A mechanism of the dehydration and thermal decomposition of ammonium polyuranates in the presence of ammonium nitrate has been proposed. It was shown that increase in the content of ammonium nitrate in the precipitate of ammonium polyuranates leads to a decrease in the specific surface of uranoso-uranic oxide

  15. Synthesis and Thermal Decomposition Kinetics of the Complex of Samarium p-Methylbenzoate with 1 ,1O-Phenanthroline

    Institute of Scientific and Technical Information of China (English)

    ZHANG,Jian-Jun; REN,Ning; XU,Su

    2007-01-01

    The complex [Sm(p-MBA)3phen]2 (p-MBA, p-methylbenzoate; phen, 1,10-phenanthroline) was prepared and characterized by elemental analysis, IR and UV spectra. The thermal decomposition process of [Sm(p-MBA)3phen]2 was studied under a static air atmosphere by TG-DTG and IR techniques. Thermal decomposition kinetics was investigated employing a newly proposed method, together with the integral isoconversional non-linear method. Meanwhile, the thermodynamic parameters (△H≠, AG≠ and △S≠) were also calculated. The lifetime equation at mass-loss of 10% was deduced as lnτ= -24.7825+18070.43/T by isothermal thermogravimetric analysis.

  16. Investigation of ammonium nitrate effect on kinetics and mechanism of thermal decomposition of ammonium polyuranates

    International Nuclear Information System (INIS)

    Karelin, A.I.; Lobas, O.P.; Zhiganov, A.N.; Vasil'ev, K.F.; Zhiganova, A.A.

    1987-01-01

    A study was made on ammonium nitrate effect on the mechanism and kinetics of dehydration and thermal decomposition of ammonium polyuranates. Sufficient effect of nitrate ion content in ammonium polyuranate samples on their thermal stability was noted. Kinetic parameters of thermal decomposition of ammonium polyuranates were evaluated. Mechanism of dehydration and thermal decomposition of ammonium polyuranates in the presence of ammonium nitrate was suggested. It was shown that increase of ammonium nitrate content in ammonium polyuranate precipitate resulted to reduction of the specific surface of prepared uranium mixed oxide

  17. Thermal decomposition of lanthanum(III) butyrate in argon atmosphere

    DEFF Research Database (Denmark)

    Grivel, Jean-Claude; Yue, Zhao; Xiao, Tang

    2013-01-01

    The thermal decomposition of La(C3H7CO2)3·xH2O (x≈0.82) was studied in argon during heating at 5K/min. After the loss of bound H2O, the anhydrous butyrate presents at 135°C a phase transition to a mesophase, which turns to an isotropic liquid at 180°C. The decomposition of the anhydrous butyrate...

  18. Effect of Isomorphous Substitution on the Thermal Decomposition Mechanism of Hydrotalcites

    Directory of Open Access Journals (Sweden)

    Sergio Crosby

    2014-10-01

    Full Text Available Hydrotalcites have many important applications in catalysis, wastewater treatment, gene delivery and polymer stabilization, all depending on preparation history and treatment scenarios. In catalysis and polymer stabilization, thermal decomposition is of great importance. Hydrotalcites form easily with atmospheric carbon dioxide and often interfere with the study of other anion containing systems, particularly if formed at room temperature. The dehydroxylation and decomposition of carbonate occurs simultaneously, making it difficult to distinguish the dehydroxylation mechanisms directly. To date, the majority of work on understanding the decomposition mechanism has utilized hydrotalcite precipitated at room temperature. In this study, evolved gas analysis combined with thermal analysis has been used to show that CO2 contamination is problematic in materials being formed at RT that are poorly crystalline. This has led to some dispute as to the nature of the dehydroxylation mechanism. In this paper, data for the thermal decomposition of the chloride form of hydrotalcite are reported. In addition, carbonate-free hydrotalcites have been synthesized with different charge densities and at different growth temperatures. This combination of parameters has allowed a better understanding of the mechanism of dehydroxylation and the role that isomorphous substitution plays in these mechanisms to be delineated. In addition, the effect of anion type on thermal stability is also reported. A stepwise dehydroxylation model is proposed that is mediated by the level of aluminum substitution.

  19. Thermal decomposition of organic solvent with nitric acid in nuclear fuel reprocessing plants

    Energy Technology Data Exchange (ETDEWEB)

    Koike, Tadao; Nishio, Gunji; Takada, Junichi; Tukamoto, Michio; Watanabe, Kouji [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Miyata, Sadaichirou

    1995-02-01

    Since a thermal decomposition of organic solvent containing TBP (tributyl phosphate) with nitric acid and heavy metal nitrates is an exothermic reaction, it is possible to cause an explosive decomposition of TBP-complex materials formed by a nitration between the solvent and nitric acid, if the solvent involving TBP-complex is heated upto a thermal limit in an evaporator to concentrate a fuel liquid solution from the extraction process in the reprocessing plant. In JAERI, the demonstration test for explosive decomposition of TBP-complex by the nitration was performed to elucidate the safety margin of the evaporator in the event of hypothetical explosion under auspices of the Science and Technology Agency. The demonstration test was carried out by heating TBP/n-dodecane solvent mixed with nitric acid and uranium nitrate. In the test, the thermal decomposition behavior of the solvent was examined, and also a kinematic reaction constant and a heat formation of the TBP-complex decomposition were measured by the test. In the paper, a safety analysis of a model evaporator was conducted during accidental conditions under the explosive decomposition of the solvent. (author).

  20. High-purity Cu nanocrystal synthesis by a dynamic decomposition method

    Science.gov (United States)

    Jian, Xian; Cao, Yu; Chen, Guozhang; Wang, Chao; Tang, Hui; Yin, Liangjun; Luan, Chunhong; Liang, Yinglin; Jiang, Jing; Wu, Sixin; Zeng, Qing; Wang, Fei; Zhang, Chengui

    2014-12-01

    Cu nanocrystals are applied extensively in several fields, particularly in the microelectron, sensor, and catalysis. The catalytic behavior of Cu nanocrystals depends mainly on the structure and particle size. In this work, formation of high-purity Cu nanocrystals is studied using a common chemical vapor deposition precursor of cupric tartrate. This process is investigated through a combined experimental and computational approach. The decomposition kinetics is researched via differential scanning calorimetry and thermogravimetric analysis using Flynn-Wall-Ozawa, Kissinger, and Starink methods. The growth was found to be influenced by the factors of reaction temperature, protective gas, and time. And microstructural and thermal characterizations were performed by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, and differential scanning calorimetry. Decomposition of cupric tartrate at different temperatures was simulated by density functional theory calculations under the generalized gradient approximation. High crystalline Cu nanocrystals without floccules were obtained from thermal decomposition of cupric tartrate at 271°C for 8 h under Ar. This general approach paves a way to controllable synthesis of Cu nanocrystals with high purity.

  1. Thermal decomposition of hydroxylamine: Isoperibolic calorimetric measurements at different conditions

    International Nuclear Information System (INIS)

    Adamopoulou, Theodora; Papadaki, Maria I.; Kounalakis, Manolis; Vazquez-Carreto, Victor; Pineda-Solano, Alba; Wang, Qingsheng; Mannan, M.Sam

    2013-01-01

    Highlights: • Hydroxylamine thermal decomposition enthalpy was measured using larger quantities. • The rate at which heat is evolved depends on hydroxylamine concentration. • Decomposition heat is strongly affected by the conditions and the selected baseline. • The need for enthalpy measurements using a larger reactant mass is pinpointed. • Hydroxylamine decomposition in the presence of argon is much faster than in air. -- Abstract: Thermal decomposition of hydroxylamine, NH 2 OH, was responsible for two serious accidents. However, its reactive behavior and the synergy of factors affecting its decomposition are not being understood. In this work, the global enthalpy of hydroxylamine decomposition has been measured in the temperature range of 130–150 °C employing isoperibolic calorimetry. Measurements were performed in a metal reactor, employing 30–80 ml solutions containing 1.4–20 g of pure hydroxylamine (2.8–40 g of the supplied reagent). The measurements showed that increased concentration or temperature, results in higher global enthalpies of reaction per unit mass of reactant. At 150 °C, specific enthalpies as high as 8 kJ per gram of hydroxylamine were measured, although in general they were in the range of 3−5 kJ g −1 . The accurate measurement of the generated heat was proven to be a cumbersome task as (a) it is difficult to identify the end of decomposition, which after a fast initial stage, proceeds very slowly, especially at lower temperatures and (b) the environment of gases affects the reaction rate

  2. Thermal decomposition of hydroxylamine: Isoperibolic calorimetric measurements at different conditions

    Energy Technology Data Exchange (ETDEWEB)

    Adamopoulou, Theodora [Department of Environmental and Natural Resources Management, University of Western Greece (formerly of University of Ioannina), Seferi 2, Agrinio GR30100 (Greece); Papadaki, Maria I., E-mail: mpapadak@cc.uoi.gr [Department of Environmental and Natural Resources Management, University of Western Greece (formerly of University of Ioannina), Seferi 2, Agrinio GR30100 (Greece); Kounalakis, Manolis [Department of Environmental and Natural Resources Management, University of Western Greece (formerly of University of Ioannina), Seferi 2, Agrinio GR30100 (Greece); Vazquez-Carreto, Victor; Pineda-Solano, Alba [Mary Kay O’Connor Process Safety Center, Artie McFerrin Department of Chemical Engineering, Texas A and M University, College Station, TX 77843 (United States); Wang, Qingsheng [Department of Fire Protection and Safety and Department of Chemical Engineering, Oklahoma State University, 494 Cordell South, Stillwater, OK 74078 (United States); Mannan, M.Sam [Mary Kay O’Connor Process Safety Center, Artie McFerrin Department of Chemical Engineering, Texas A and M University, College Station, TX 77843 (United States)

    2013-06-15

    Highlights: • Hydroxylamine thermal decomposition enthalpy was measured using larger quantities. • The rate at which heat is evolved depends on hydroxylamine concentration. • Decomposition heat is strongly affected by the conditions and the selected baseline. • The need for enthalpy measurements using a larger reactant mass is pinpointed. • Hydroxylamine decomposition in the presence of argon is much faster than in air. -- Abstract: Thermal decomposition of hydroxylamine, NH{sub 2}OH, was responsible for two serious accidents. However, its reactive behavior and the synergy of factors affecting its decomposition are not being understood. In this work, the global enthalpy of hydroxylamine decomposition has been measured in the temperature range of 130–150 °C employing isoperibolic calorimetry. Measurements were performed in a metal reactor, employing 30–80 ml solutions containing 1.4–20 g of pure hydroxylamine (2.8–40 g of the supplied reagent). The measurements showed that increased concentration or temperature, results in higher global enthalpies of reaction per unit mass of reactant. At 150 °C, specific enthalpies as high as 8 kJ per gram of hydroxylamine were measured, although in general they were in the range of 3−5 kJ g{sup −1}. The accurate measurement of the generated heat was proven to be a cumbersome task as (a) it is difficult to identify the end of decomposition, which after a fast initial stage, proceeds very slowly, especially at lower temperatures and (b) the environment of gases affects the reaction rate.

  3. 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...

  4. Thermal decomposition of hydrotalcite with chromate, molybdate or sulphate in the interlayer

    Energy Technology Data Exchange (ETDEWEB)

    Frost, Ray L. [Inorganic Materials Research Program, School of Physical and Chemical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane Queensland 4001 (Australia)]. E-mail: r.frost@qut.edu.au; Musumeci, Anthony W. [Inorganic Materials Research Program, School of Physical and Chemical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane Queensland 4001 (Australia); Bostrom, Thor [Inorganic Materials Research Program, School of Physical and Chemical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane Queensland 4001 (Australia); Adebajo, Moses O. [Inorganic Materials Research Program, School of Physical and Chemical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane Queensland 4001 (Australia); Weier, Matt L. [Inorganic Materials Research Program, School of Physical and Chemical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane Queensland 4001 (Australia); Martens, Wayde [Inorganic Materials Research Program, School of Physical and Chemical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane Queensland 4001 (Australia)

    2005-05-15

    The thermal decomposition of hydrotalcites with chromate, molybdate and sulphate in the interlayer has been studied using thermogravimetric analysis coupled to a mass spectrometer measuring the gas evolution. X-ray diffraction shows the hydrotalcites have a d(0 0 3) spacing of 7.98 A with very small differences in the d-spacing between the three hydrotalcites. XRD was also used to determine the products of the thermal decomposition. For the sulphate-hydrotalcite decomposition the products were MgO and a spinel MgAl{sub 2}O{sub 4}, for the chromate interlayered hydrotalcite MgO, Cr{sub 2}O{sub 3} and spinel. For the molybdate interlayered hydrotalcite the products were MgO, spinel and MgMoO{sub 4}. EDX analyses enabled the formula of the hydrotalcites to be determined. Two processes are observed in the thermal decomposition namely dehydration and dehydroxylation and for the case of the sulphate interlayered hydrotalcite, a third process is the loss of sulphate. Both the dehydration and dehydroxylation take place in three steps each for each of the hydrotalcites.

  5. Further insights into the kinetics of thermal decomposition during continuous cooling.

    Science.gov (United States)

    Liavitskaya, Tatsiana; Guigo, Nathanaël; Sbirrazzuoli, Nicolas; Vyazovkin, Sergey

    2017-07-26

    Following the previous work (Phys. Chem. Chem. Phys., 2016, 18, 32021), this study continues to investigate the intriguing phenomenon of thermal decomposition during continuous cooling. The phenomenon can be detected and its kinetics can be measured by means of thermogravimetric analysis (TGA). The kinetics of the thermal decomposition of ammonium nitrate (NH 4 NO 3 ), nickel oxalate (NiC 2 O 4 ), and lithium sulfate monohydrate (Li 2 SO 4 ·H 2 O) have been measured upon heating and cooling and analyzed by means of the isoconversional methodology. The results have confirmed the hypothesis that the respective kinetics should be similar for single-step processes (NH 4 NO 3 decomposition) but different for multi-step ones (NiC 2 O 4 decomposition and Li 2 SO 4 ·H 2 O dehydration). It has been discovered that the differences in the kinetics can be either quantitative or qualitative. Physical insights into the nature of the differences have been proposed.

  6. Synthesis, characterization and thermal decomposition kinetics of Sm(III)complex with 2,4-dichlorobenzoate and 2,2'-bipyridine

    International Nuclear Information System (INIS)

    Zhang Haiyan; Zhang Jianjun; Ren Ning; Xu, Su-Ling; Zhang Yonghua; Tian Liang; Song Huihua

    2008-01-01

    The complex of [Sm(2,4-DClBA) 3 (bipy)] 2 (2,4-DClBA, 2,4-dichlorobenzoate; bipy, 2,2'-bipyridine) was synthesized and characterized by elemental analysis, molar conductivity, IR and UV spectra. The thermal decomposition process of the complex was studied by means of TG-DTG and IR techniques. And its thermal decomposition kinetics was investigated via the analysis of the TG-DTG curves by jointly using double equal-double steps method and nonlinear integral isoconversional method. The activation energy E, the pre-exponential factor A and the most probable mechanism functions of the first decomposition stage were obtained. Meanwhile, the thermodynamic parameters (ΔH ≠ , ΔG ≠ and ΔS ≠ ) were also calculated. The lifetime equation at weight-loss of 10% was deduced as ln τ = -35.53 + 20200/T by isothermal thermogravimetric analysis

  7. Kinetic parameters for the thermal decomposition reactions of mixed oxides of selenium and tellurium

    International Nuclear Information System (INIS)

    Jerez, A.; Castro, A.; Pico, C.; Veiga, M.L.

    1982-01-01

    A comparative study of the thermal decomposition processes of Te 3 SeO 8 and TeSeO 4 has been carried out based on the results obtained directly by a Mettler TA 3000 apparatus and from calculations using other differential and integral methods. (orig.)

  8. Effect of particle size on thermal decomposition of alkali metal picrates

    International Nuclear Information System (INIS)

    Liu, Rui; Zhang, Tonglai; Yang, Li; Zhou, Zunning

    2014-01-01

    Graphical abstract: The smaller-sized picrate has greater gas emission than do its larger counterpart. The small size effect reduces the thermal decomposition activation energy, accelerates the reaction rate, and promotes the reaction activity. - Highlights: • Picrates were prepared into three micron sizes by microemulsion synthesis. • Thermal decomposition kinetics and thermodynamics were studied by DPTA and DSC. • Smaller-sized picrate has higher activity and faster reaction rate. • Particle size effect on thermal decomposition kinetics and thermodynamics was revealed. - Abstract: Three alkali metal picrates, KPA, RbPA and CsPA, were prepared into three micron sizes by microemulsion synthesis, and their thermal decomposition behaviors were investigated by DPTA at different temperatures and by DSC at different heating rates. The smaller-sized picrate has greater gas emission and smaller kinetic and thermodynamic parameters than do its larger counterpart. It can be attributed to the decreasing particle size which leads to the high surface energy, the fast mass and heat transfer, and the increasing active sites on the reaction interface. The small size effect and surface effect cause the autocatalysis which reduces the activation energy and promotes the reaction activity. The particle size does not affect the reaction mechanism. However, the picrates with different central alkali metals exhibit different reaction mechanisms even though they are of the same size. This is because the central metal determines the bond energy and consequently affects the stability of picrate

  9. Effect of particle size on thermal decomposition of alkali metal picrates

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Rui; Zhang, Tonglai, E-mail: ztlbit@bit.edu.cn; Yang, Li; Zhou, Zunning

    2014-05-01

    Graphical abstract: The smaller-sized picrate has greater gas emission than do its larger counterpart. The small size effect reduces the thermal decomposition activation energy, accelerates the reaction rate, and promotes the reaction activity. - Highlights: • Picrates were prepared into three micron sizes by microemulsion synthesis. • Thermal decomposition kinetics and thermodynamics were studied by DPTA and DSC. • Smaller-sized picrate has higher activity and faster reaction rate. • Particle size effect on thermal decomposition kinetics and thermodynamics was revealed. - Abstract: Three alkali metal picrates, KPA, RbPA and CsPA, were prepared into three micron sizes by microemulsion synthesis, and their thermal decomposition behaviors were investigated by DPTA at different temperatures and by DSC at different heating rates. The smaller-sized picrate has greater gas emission and smaller kinetic and thermodynamic parameters than do its larger counterpart. It can be attributed to the decreasing particle size which leads to the high surface energy, the fast mass and heat transfer, and the increasing active sites on the reaction interface. The small size effect and surface effect cause the autocatalysis which reduces the activation energy and promotes the reaction activity. The particle size does not affect the reaction mechanism. However, the picrates with different central alkali metals exhibit different reaction mechanisms even though they are of the same size. This is because the central metal determines the bond energy and consequently affects the stability of picrate.

  10. Influence of nitrogen dioxide on the thermal decomposition of ammonium nitrate

    OpenAIRE

    Igor L. Kovalenko

    2015-01-01

    In this paper results of experimental studies of ammonium nitrate thermal decomposition in an open system under normal conditions and in NO2 atmosphere are presented. It is shown that nitrogen dioxide is the initiator of ammonium nitrate self-accelerating exothermic cyclic decomposition process. The insertion of NO2 from outside under the conditions of nonisothermal experiment reduces the characteristic temperature of the beginning of self-accelerating decomposition by 50...70 °C. Using metho...

  11. Study of non-catalytic thermal decomposition of triglyceride at hydroprocessing condition

    International Nuclear Information System (INIS)

    Palanisamy, Shanmugam; Gevert, Borje S.

    2016-01-01

    Highlights: • Thermolysis of triglycerides occurs above 300 °C and cracking intensify above 350 °C. • Decomposition of carboxylic group observed, and β-H abstraction gives radical. • Product contains aldehyde, ketonic, saturated/unsaturated, cyclic, glycerol group. • Gasoline fraction contains lighter, cyclic and unsaturated hydrocarbons. • Residues contain ester, dimer and carboxylic groups. - Abstract: Non-catalytic thermal decomposition of triglyceride is studied between 300 and 410 °C at 0.1 and 5 MPa in the presence of H 2 or inert gas. This test is carried in tubular reactor filled with inert material (borosilicate glass pellet). The qualitative and analytical results showed that n-alkanes and alkenes with oxygenated olefins were primary products, consistent with thermal cracking to lighter hydrocarbons. The resulting outlet fuel gas obtained mainly from the radical reaction and had high concentration of CO, ethylene and methane. The decomposition forms a large number of radical compounds containing acids, aldehydes, ketones, aliphatic and aromatic hydrocarbon groups. Lighter fraction contains mostly naphthenic group, and heavy fraction contains straight chain paraffinic hydrocarbons. When H 2 partial pressure raised, the cracking of heavy fractions is low, and products contain low concentration of the lighter and gasoline fractions. Here, the thermal decomposition of triglyceride yields lighter fractions due to cracking, decarboxylation and decarbonylation.

  12. Biomass pyrolysis: Thermal decomposition mechanisms of furfural and benzaldehyde

    Science.gov (United States)

    Vasiliou, AnGayle K.; Kim, Jong Hyun; Ormond, Thomas K.; Piech, Krzysztof M.; Urness, Kimberly N.; Scheer, Adam M.; Robichaud, David J.; Mukarakate, Calvin; Nimlos, Mark R.; Daily, John W.; Guan, Qi; Carstensen, Hans-Heinrich; Ellison, G. Barney

    2013-09-01

    The thermal decompositions of furfural and benzaldehyde have been studied in a heated microtubular flow reactor. The pyrolysis experiments were carried out by passing a dilute mixture of the aromatic aldehydes (roughly 0.1%-1%) entrained in a stream of buffer gas (either He or Ar) through a pulsed, heated SiC reactor that is 2-3 cm long and 1 mm in diameter. Typical pressures in the reactor are 75-150 Torr with the SiC tube wall temperature in the range of 1200-1800 K. Characteristic residence times in the reactor are 100-200 μsec after which the gas mixture emerges as a skimmed molecular beam at a pressure of approximately 10 μTorr. Products were detected using matrix infrared absorption spectroscopy, 118.2 nm (10.487 eV) photoionization mass spectroscopy and resonance enhanced multiphoton ionization. The initial steps in the thermal decomposition of furfural and benzaldehyde have been identified. Furfural undergoes unimolecular decomposition to furan + CO: C4H3O-CHO (+ M) → CO + C4H4O. Sequential decomposition of furan leads to the production of HC≡CH, CH2CO, CH3C≡CH, CO, HCCCH2, and H atoms. In contrast, benzaldehyde resists decomposition until higher temperatures when it fragments to phenyl radical plus H atoms and CO: C6H5CHO (+ M) → C6H5CO + H → C6H5 + CO + H. The H atoms trigger a chain reaction by attacking C6H5CHO: H + C6H5CHO → [C6H6CHO]* → C6H6 + CO + H. The net result is the decomposition of benzaldehyde to produce benzene and CO.

  13. Kinetics of thermal decomposition of γ-irradiated and unirradiated complexes of mandelhydroxamic acid

    International Nuclear Information System (INIS)

    Hassan, R.M.; Farid, T.; El-Bellihi, A.A.

    1992-01-01

    The thermal decomposition of γ-irradiated and unirradiated complexes of mandelhydroxamic acid (HMA), Co (HMA) 2 .1/2H 2 O, Mn (HMA) 2 .2H 2 O, Ba (HMA) 2 .2H 2 O and Cd (HMA) 2 .2H 2 O have been studied thermogravimetrically (under isothermal conditions). The thermal dehydration of each complex occured in one step, while the decomposition of dehydrated complexes occured in two steps. The kinetic parameters for dehydration were computed by different models. The thermal dehydration is regulated by random nucleation A 3 for Co-, Mn-, and Cd-complexes and by phase-boundary (R 3 ) for Ba-complex. The effect of γ-irradiation on the kinetic parameters of thermal decomposition is discussed. Radiation did not modify the mechanism of the reaction but accelarated the dehydration steps in the case of Mn- and Co-complexes. (author) 7 refs.; 1 fig.; 4 tabs

  14. Ab initio kinetics and thermal decomposition mechanism of mononitrobiuret and 1,5-dinitrobiuret

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Hongyan, E-mail: hongyan.sun1@gmail.com, E-mail: ghanshyam.vaghjiani@us.af.mil; Vaghjiani, Ghanshyam L., E-mail: hongyan.sun1@gmail.com, E-mail: ghanshyam.vaghjiani@us.af.mil [Propellants Branch, Rocket Propulsion Division, Aerospace Systems Directorate, Air Force Research Laboratory, AFRL/RQRP, 10 E. Saturn Blvd., Edwards AFB, California 93524 (United States)

    2015-05-28

    Mononitrobiuret (MNB) and 1,5-dinitrobiuret (DNB) are tetrazole-free, nitrogen-rich, energetic compounds. For the first time, a comprehensive ab initio kinetics study on the thermal decomposition mechanisms of MNB and DNB is reported here. In particular, the intramolecular interactions of amine H-atom with electronegative nitro O-atom and carbonyl O-atom have been analyzed for biuret, MNB, and DNB at the M06-2X/aug-cc-pVTZ level of theory. The results show that the MNB and DNB molecules are stabilized through six-member-ring moieties via intramolecular H-bonding with interatomic distances between 1.8 and 2.0 Å, due to electrostatic as well as polarization and dispersion interactions. Furthermore, it was found that the stable molecules in the solid state have the smallest dipole moment amongst all the conformers in the nitrobiuret series of compounds, thus revealing a simple way for evaluating reactivity of fuel conformers. The potential energy surface for thermal decomposition of MNB was characterized by spin restricted coupled cluster theory at the RCCSD(T)/cc-pV∞ Z//M06-2X/aug-cc-pVTZ level. It was found that the thermal decomposition of MNB is initiated by the elimination of HNCO and HNN(O)OH intermediates. Intramolecular transfer of a H-atom, respectively, from the terminal NH{sub 2} group to the adjacent carbonyl O-atom via a six-member-ring transition state eliminates HNCO with an energy barrier of 35 kcal/mol and from the central NH group to the adjacent nitro O-atom eliminates HNN(O)OH with an energy barrier of 34 kcal/mol. Elimination of HNN(O)OH is also the primary process involved in the thermal decomposition of DNB, which processes C{sub 2v} symmetry. The rate coefficients for the primary decomposition channels for MNB and DNB were quantified as functions of temperature and pressure. In addition, the thermal decomposition of HNN(O)OH was analyzed via Rice–Ramsperger–Kassel–Marcus/multi-well master equation simulations, the results of which

  15. The correlation between elongation at break and thermal decomposition of aged EPDM cable polymer

    Science.gov (United States)

    Šarac, T.; Devaux, J.; Quiévy, N.; Gusarov, A.; Konstantinović, M. J.

    2017-03-01

    The effect of simultaneous thermal and gamma irradiation ageing on the mechanical and physicochemical properties of industrial EPDM was investigated. Accelerated ageing, covering a wide range of dose rates, doses and temperatures, was preformed in stagnant air on EPDM polymer samples extracted from the cables in use in the Belgian nuclear power plants. The mechanical properties, ultimate tensile stress and elongation at break, are found to exhibit the strong dependence on the dose, ageing temperature and dose rate. The thermal decomposition of aged polymer is observed to be the dose dependent when thermogravimetry test is performed under air atmosphere. No dose dependence is observed when thermal decomposition is performed under nitrogen atmosphere. The thermal decomposition rates are found to fully mimic the reduction of elongation at break for all dose rates and ageing temperatures. This effect is argued to be the result of thermal and radiation mediated oxidation degradation process.

  16. Direct observation of thermal disorder and decomposition of black phosphorus

    Science.gov (United States)

    Yoo, Seung Jo; Kim, Heejin; Lee, Ji-Hyun; Kim, Jin-Gyu

    2018-02-01

    Theoretical research has been devoted to reveal the properties of black phosphorus as a two-dimensional nanomaterial, but little attention has been paid for the experimental characterization. In this study, the thermal disorder and decomposition of black phosphorus were examined using in situ heating transmission electron microscopy experiments. We observed that the breaking of crystallographic symmetry begins at 380 °C under vacuum condition, followed by the phosphorus evaporates after long-term heating at 400 °C. This decomposition process can be initiated by the surficial vacancy and proceeds toward both interlayer ([010]) and intralayer ([001]) directions. The results on the thermal behavior of black phosphorus provide useful guidance for thin film deposition and fabrication processes with black phosphorus.

  17. Patterned magnetite films prepared via soft lithography and thermal decomposition

    International Nuclear Information System (INIS)

    An Lijuan; Li, Zhaoqiang; Li Wei; Nie Yaru; Chen Zhimin; Wang Yanping; Yang Bai

    2006-01-01

    A method for the fabrication of patterned magnetite (Fe 3 O 4 ) films is presented. We first prepared an ordered 2D array of Fe(acac) 3 through a selective deposition technique on patterned self-assembled monolayers. Using thermal decomposition at elevated temperature (300 o C), we transformed the patterned Fe(acac) 3 into patterned Fe 3 O 4 films in a short reaction time. These patterned films have been confirmed by using optical photographs, field emission scanning electron microscopy and atomic force microscopy

  18. Sublimation and thermal decomposition of ammonia borane: Competitive processes controlled by pressure

    Energy Technology Data Exchange (ETDEWEB)

    Kondrat’ev, Yu.V.; Butlak, A.V.; Kazakov, I.V.; Timoshkin, A.Y., E-mail: a.y.timoshkin@spbu.edu

    2015-12-20

    Highlights: • We measured sublimation enthalpy of ammonia borane at 357 K by drop-calorimetry. • We determined activation energy for ammonia borane decomposition by tensimetry. • At 357 K decomposition and sublimation are competitive and depend on the pressure. • We propose new values for the Δ{sub f}H° of solid ammonia borane and polyamidoborane. - Abstract: Thermal behavior of ammonia borane BH{sub 3}NH{sub 3} (AB) has been studied by calorimetry, tensimetry and mass spectrometry methods. It is shown, that depending on vapor pressure in the system two competitive processes are taking place at 357 K. At atmospheric pressure thermal decomposition with hydrogen evolution is the dominant process: BH{sub 3}NH{sub 3(s)} = 1/n (BH{sub 2}NH{sub 2}){sub n(s)} + H{sub 2(g)} (1). At low pressures (circa 4 mTorr) the major process is endothermic sublimation of AB: BH{sub 3}NH{sub 3(s)} = BH{sub 3}NH{sub 3(g)} (2). At intermediate pressures both processes occur simultaneously. Enthalpies for the processes (1) and (2) have been determined by drop-calorimetry method: Δ{sub (1)}H{sub 357}° = −24.8 ± 2.3 kJ mol{sup −1} and Δ{sub sub}H{sub 357}°(BH{sub 3}NH{sub 3}) = 76.3 ± 3.0 kJ mol{sup −1}. Solid products after sublimation and decomposition have been characterized by IR and NMR spectroscopy; gaseous forms were studied by mass spectrometry. Activation energy of 94 ± 11 kJ mol{sup −1} for the process (1) in range 327–351 K was determined by static tensimetry method. Based on the analysis of available thermodynamic characteristics, new values for the standard formation enthalpy of solid AB −133.4 ± 5.2 kJ mol{sup −1} and polyamidoborane −156.7 ± 5.8 kJ mol{sup −1} are recommended.

  19. Design and implementation of mixing chambers to improve thermal decomposition of urea for NOX abatement

    KAUST Repository

    Lee, Junggil; Kim, Youngdeuk; Kim, Wooseung

    2012-01-01

    to improve urea thermal decomposition, and experiments with and without a mixing chamber were carried out to analyze thermal-decomposition characteristics of urea in the exhaust pipe with respect to inlet velocity (4-12μm/s) and temperature (350°C-500°C

  20. Synthesis of transparent ZnO/PMMA nanocomposite films through free-radical copolymerization of asymmetric zinc methacrylate acetate and in-situ thermal decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Lin [Department of Chemistry, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Institute of Polymers, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Li Fan, E-mail: lfan@ncu.edu.cn [Institute of Polymers, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Chen Yiwang, E-mail: ywchen@ncu.edu.cn [Department of Chemistry, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Institute of Polymers, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Wang Xiaofeng [Institute of Polymers, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China)

    2011-08-15

    In this paper, a new and simple approach for in-situ preparation of transparent ZnO/poly(metyl methacrylate) (ZnO/PMMA) nanocomposite films was developed. Poly(methyl methacrylate)-co-poly(zinc methacrylate acetate) (PMMA-co-PZnMAAc) copolymer was synthesized via free-radical polymerization between methyl methacrylate (MMA) and zinc methacrylate acetate (ZnMAAc), where asymmetric ZnMAAc with only one terminal double bond (C=C) was applied to act as the precursor for ZnO nanocrystals and could avoid cross-link. Subsequently, transparent ZnO/PMMA nanocomposite films were obtained by in-situ thermal decomposition. Scanning electron microscope (SEM) image revealed that ZnO nanocrystals were homogeneously dispersed in PMMA matrix. With thermal decomposition time increasing, the absorption intensity in UV region and photoluminescence intensity of ZnO/PMMA nanocomposite films enhanced. However, the optical properties diminished when the thermal decomposition temperature increased. The TGA measurement displayed ZnO/PMMA nanocomposite films prepared by the in-situ synthesis method possessed better thermal stability compared with those prepared by the physical blending method and pristine PMMA films. - Highlights: > ZnO/PMMA hybrid films were prepared via free-radical polymerization and in-situ thermal decomposition. > ZnO NCs are homogeneously dispersed in the PMMA matrix and these films have good optical properties. > Thermal stability of these films is improved compared with those of physically blending ones.

  1. Synthesis of transparent ZnO/PMMA nanocomposite films through free-radical copolymerization of asymmetric zinc methacrylate acetate and in-situ thermal decomposition

    International Nuclear Information System (INIS)

    Zhang Lin; Li Fan; Chen Yiwang; Wang Xiaofeng

    2011-01-01

    In this paper, a new and simple approach for in-situ preparation of transparent ZnO/poly(metyl methacrylate) (ZnO/PMMA) nanocomposite films was developed. Poly(methyl methacrylate)-co-poly(zinc methacrylate acetate) (PMMA-co-PZnMAAc) copolymer was synthesized via free-radical polymerization between methyl methacrylate (MMA) and zinc methacrylate acetate (ZnMAAc), where asymmetric ZnMAAc with only one terminal double bond (C=C) was applied to act as the precursor for ZnO nanocrystals and could avoid cross-link. Subsequently, transparent ZnO/PMMA nanocomposite films were obtained by in-situ thermal decomposition. Scanning electron microscope (SEM) image revealed that ZnO nanocrystals were homogeneously dispersed in PMMA matrix. With thermal decomposition time increasing, the absorption intensity in UV region and photoluminescence intensity of ZnO/PMMA nanocomposite films enhanced. However, the optical properties diminished when the thermal decomposition temperature increased. The TGA measurement displayed ZnO/PMMA nanocomposite films prepared by the in-situ synthesis method possessed better thermal stability compared with those prepared by the physical blending method and pristine PMMA films. - Highlights: → ZnO/PMMA hybrid films were prepared via free-radical polymerization and in-situ thermal decomposition. → ZnO NCs are homogeneously dispersed in the PMMA matrix and these films have good optical properties. → Thermal stability of these films is improved compared with those of physically blending ones.

  2. Fabrication of ammonium perchlorate/copper-chromium oxides core-shell nanocomposites for catalytic thermal decomposition of ammonium perchlorate

    Energy Technology Data Exchange (ETDEWEB)

    Eslami, Abbas, E-mail: eslami@umz.ac.ir [Department of Inorganic Chemistry, Faculty of Chemistry, University of Mazandaran, P.O.Box 47416-95447, Babolsar (Iran, Islamic Republic of); Juibari, Nafise Modanlou [Department of Inorganic Chemistry, Faculty of Chemistry, University of Mazandaran, P.O.Box 47416-95447, Babolsar (Iran, Islamic Republic of); Hosseini, Seyed Ghorban [Department of Chemistry, Malek Ashtar University of Technology, P.O. Box 16765-3454, Tehran (Iran, Islamic Republic of)

    2016-09-15

    The ammonium perchlorate/Cu(II)-Cr(III)-oxides(AP/Cu-Cr-O) core-shell nanocomposites were in-situ prepared by deposition of copper and chromium oxides on suspended ammonium perchlorate particles in ethyl acetate as solvent. The results of differential scanning calorimetery (DSC) and thermal gravimetric analysis (TGA) experiments showed that the nanocomposites have excellent catalytic effect on the thermal decomposition of AP, so that the released heat increases up to about 3-fold over initial values, changing from 450 J/g for pure AP to 1510 J/g for most appropriate mixture. For better comparison, single metal oxide/AP core-shell nanocomposite have also been prepared and the results showed that they have less catalytic effect respect to mixed metal oxides system. Scanning electron microscopy (SEM) results revealed homogenous deposition of nanoparticles on the surface of AP and fabrication of core-shell structures. The kinetic parameters of thermal decomposition of both pure AP and AP/Cu-Cr-O samples have been calculated by Kissinger method and the results showed that the values of pre-exponential factor and activation energy are higher for AP/Cu-Cr-O nanocomposite. The better catalytic effect of Cu-Cr-O nanocomposites is probably attributed to the synergistic effect between Cu{sup 2+} and Cr{sup 3+} in the nanocomposites, smaller particle size and more crystal defect. - Highlights: • The Cu-Cr-O nanoparticles were synthesized by chemical liquid deposition method. • Then, the AP/Cu-Cr-O core-shell nanocomposites were prepared. • The core-shell samples showed high catalytic activity for AP decomposition. • Thermal decomposition of samples occurs at lower temperature range.

  3. Facile fabrication of Fe_3O_4 and Co_3O_4 microspheres and their influence on the thermal decomposition of ammonium perchlorate

    International Nuclear Information System (INIS)

    Zhang, Yifu; Meng, Changgong

    2016-01-01

    Fe_3O_4 and Co_3O_4 microspheres were successfully synthesized by the hydrothermal decomposition of iron oxalate and cobalt oxalate solution. The composition and morphology of synthesized powders were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM) techniques. The catalytic properties of the as-obtained Fe_3O_4 and Co_3O_4 microspheres on the thermal decomposition of ammonium perchlorate (AP) were evaluated by thermo-gravimetric analysis and differential thermal analysis (TGA/DTA) methods. The thermal decomposition temperatures of AP in the presence of 1, 2, 4 and 8 wt% of Fe_3O_4 microspheres were respectively decreased by 58, 80, 102 and 129 °C (lowered to 398, 376, 354 and 327 °C). And the thermal decomposition temperatures of AP in the presence of 1, 2, 4 and 8 wt% of Co_3O_4 microspheres were respectively decreased by 55, 74, 112 and 131 °C (lowered to 401, 382, 344 and 325 °C). The analysis of the thermal gravimetric analyzer couplet with infrared spectroscopy (TG-IR) test reveal that the additives can accelerate the thermal decomposition of AP via the high-temperature decomposition. All the results suggest the as-prepared Fe_3O_4 and Co_3O_4 microspheres have highly catalytic properties on the thermal decomposition of AP, which can be used as the promising additives in the future. - Graphical abstract: Real-time FTIR spectra to reveal the thermal decomposition process of AP. - Highlights: • Highly uniform Fe_3O_4 and Co_3O_4 microspheres were successfully synthesized. • The T_c of AP with 1, 2, 4 and 8 wt% of Fe_3O_4 microspheres was decreased by 58, 80, 102 and 129 °C. • The T_c of AP with 1, 2, 4 and 8 wt% of Co_3O_4 microspheres was decreased by 55, 74, 112 and 131 °C. • The thermal decomposition process of AP was detected by TG-IR.

  4. Kinetics of thermal decomposition of aluminium hydride: I-non-isothermal decomposition under vacuum and in inert atmosphere (argon)

    International Nuclear Information System (INIS)

    Ismail, I.M.K.; Hawkins, T.

    2005-01-01

    Recently, interest in aluminium hydride (alane) as a rocket propulsion ingredient has been renewed due to improvements in its manufacturing process and an increase in thermal stability. When alane is added to solid propellant formulations, rocket performance is enhanced and the specific impulse increases. Preliminary work was performed at AFRL on the characterization and evaluation of two alane samples. Decomposition kinetics were determined from gravimetric TGA data and volumetric vacuum thermal stability (VTS) results. Chemical analysis showed the samples had 88.30% (by weight) aluminium and 9.96% hydrogen. The average density, as measured by helium pycnometery, was 1.486 g/cc. Scanning electron microscopy showed that the particles were mostly composed of sharp edged crystallographic polyhedral such as simple cubes, cubic octahedrons and hexagonal prisms. Thermogravimetric analysis was utilized to investigate the decomposition kinetics of alane in argon atmosphere and to shed light on the mechanism of alane decomposition. Two kinetic models were successfully developed and used to propose a mechanism for the complete decomposition of alane and to predict its shelf-life during storage. Alane decomposes in two steps. The slowest (rate-determining) step is solely controlled by solid state nucleation of aluminium crystals; the fastest step is due to growth of the crystals. Thus, during decomposition, hydrogen gas is liberated and the initial polyhedral AlH 3 crystals yield a final mix of amorphous aluminium and aluminium crystals. After establishing the kinetic model, prediction calculations indicated that alane can be stored in inert atmosphere at temperatures below 10 deg. C for long periods of time (e.g., 15 years) without significant decomposition. After 15 years of storage, the kinetic model predicts ∼0.1% decomposition, but storage at higher temperatures (e.g. 30 deg. C) is not recommended

  5. New simultaneous thermogravimetry and modulated molecular beam mass spectrometry apparatus for quantitative thermal decomposition studies

    International Nuclear Information System (INIS)

    Behrens, R. Jr.

    1987-01-01

    A new type of instrument has been designed and constructed to measure quantitatively the gas phase species evolving during thermal decompositions. These measurements can be used for understanding the kinetics of thermal decomposition, determining the heats of formation and vaporization of high-temperature materials, and analyzing sample contaminants. The new design allows measurements to be made on the same time scale as the rates of the reactions being studied, provides a universal detection technique to study a wide range of compounds, gives quantitative measurements of decomposition products, and minimizes interference from the instrument on the measurements. The instrument design is based on a unique combination of thermogravimetric analysis (TGA), differential thermal analysis (DTA), and modulated beam mass spectroscopy (MBMS) which are brought together into a symbiotic relationship through the use of differentially pumped vacuum systems, modulated molecular beam techniques, and computer control and data-acquisition systems. A data analysis technique that calculates partial pressures in the reaction cell from the simultaneous microbalance force measurements and the modulated mass spectrometry measurements has been developed. This eliminates the need to know the ionization cross section, the ion dissociation channels, the quadrupole transmission, and the ion detector sensitivity for each thermal decomposition product prior to quantifying the mass spectral data. The operation of the instrument and the data analysis technique are illustrated with the thermal decomposition of contaminants from a precipitated palladium powder

  6. Thermal decomposition characteristics of microwave liquefied rape straw residues using thermogravimetric analysis

    Science.gov (United States)

    Xingyan Huang; Cornelis F. De Hoop; Jiulong Xie; Chung-Yun Hse; Jinqiu Qi; Yuzhu Chen; Feng Li

    2017-01-01

    The thermal decomposition characteristics of microwave liquefied rape straw residues with respect to liquefaction condition and pyrolysis conversion were investigated using a thermogravimetric (TG) analyzer at the heating rates of 5, 20, 50 °C min-1. The hemicellulose decomposition peak was absent at the derivative thermogravimetric analysis (DTG...

  7. Development of Boundary Condition Independent Reduced Order Thermal Models using Proper Orthogonal Decomposition

    Science.gov (United States)

    Raghupathy, Arun; Ghia, Karman; Ghia, Urmila

    2008-11-01

    Compact Thermal Models (CTM) to represent IC packages has been traditionally developed using the DELPHI-based (DEvelopment of Libraries of PHysical models for an Integrated design) methodology. The drawbacks of this method are presented, and an alternative method is proposed. A reduced-order model that provides the complete thermal information accurately with less computational resources can be effectively used in system level simulations. Proper Orthogonal Decomposition (POD), a statistical method, can be used to reduce the order of the degree of freedom or variables of the computations for such a problem. POD along with the Galerkin projection allows us to create reduced-order models that reproduce the characteristics of the system with a considerable reduction in computational resources while maintaining a high level of accuracy. The goal of this work is to show that this method can be applied to obtain a boundary condition independent reduced-order thermal model for complex components. The methodology is applied to the 1D transient heat equation.

  8. Thermal unimolecular decomposition of methanol. Zum thermischen unimolekularen Zerfall von Methanol

    Energy Technology Data Exchange (ETDEWEB)

    Spindler, K

    1979-01-01

    The thermal unimolecular decomposition of methanol and that of acetone (1B) were investigated experimentally after reflected shockwaves, by following up the OH and CH/sub 3/ absorption or the CH/sub 3/ and acetone absorption respectively. A computer simulation of the decomposition of methanol and the subsequent reactions was done. This gave velocity constants for some reactions, which are different from those that are found in the literature. The experimental investigation of the decomposition of acetone, from comparison of the results with the data in the literature, shows that the observations of CH/sub 3/ absorption are very suitable for obtaining velocity constants for decomposition reactions, where CH/sub 3/ radicals are formed in the first stage.

  9. Thermal decomposition and reaction of confined explosives

    International Nuclear Information System (INIS)

    Catalano, E.; McGuire, R.; Lee, E.; Wrenn, E.; Ornellas, D.; Walton, J.

    1976-01-01

    Some new experiments designed to accurately determine the time interval required to produce a reactive event in confined explosives subjected to temperatures which will cause decomposition are described. Geometry and boundary conditions were both well defined so that these experiments on the rapid thermal decomposition of HE are amenable to predictive modelling. Experiments have been carried out on TNT, TATB and on two plastic-bonded HMX-based high explosives, LX-04 and LX-10. When the results of these experiments are plotted as the logarithm of the time to explosion versus 1/T K (Arrhenius plot), the curves produced are remarkably linear. This is in contradiction to the results obtained by an iterative solution of the Laplace equation for a system with a first order rate heat source. Such calculations produce plots which display considerable curvature. The experiments have also shown that the time to explosion is strongly influenced by the void volume in the containment vessel. Results of the experiments with calculations based on the heat flow equations coupled with first-order models of chemical decomposition are compared. The comparisons demonstrate the need for a more realistic reaction model

  10. Effect of high heating rate on thermal decomposition behaviour of ...

    Indian Academy of Sciences (India)

    the thermal decomposition behaviour of the aforementioned powder at high heating rates was taken into considera- ... does not change the process of releasing hydrogen from titanium hydride ... from titanium hydride in a sequence of steps.

  11. Effect of Copper Oxide, Titanium Dioxide, and Lithium Fluoride on the Thermal Behavior and Decomposition Kinetics of Ammonium Nitrate

    Science.gov (United States)

    Vargeese, Anuj A.; Mija, S. J.; Muralidharan, Krishnamurthi

    2014-07-01

    Ammonium nitrate (AN) is crystallized along with copper oxide, titanium dioxide, and lithium fluoride. Thermal kinetic constants for the decomposition reaction of the samples were calculated by model-free (Friedman's differential and Vyzovkins nonlinear integral) and model-fitting (Coats-Redfern) methods. To determine the decomposition mechanisms, 12 solid-state mechanisms were tested using the Coats-Redfern method. The results of the Coats-Redfern method show that the decomposition mechanism for all samples is the contracting cylinder mechanism. The phase behavior of the obtained samples was evaluated by differential scanning calorimetry (DSC), and structural properties were determined by X-ray powder diffraction (XRPD). The results indicate that copper oxide modifies the phase transition behavior and can catalyze AN decomposition, whereas LiF inhibits AN decomposition, and TiO2 shows no influence on the rate of decomposition. Possible explanations for these results are discussed. Supplementary materials are available for this article. Go to the publisher's online edition of the Journal of Energetic Materials to view the free supplemental file.

  12. DOLOMITE THERMAL-DECOMPOSITION MACROKINETIC MODELS FOR EVALUATION OF THE GASGENERATORS SORBENT SYSTEMS

    Directory of Open Access Journals (Sweden)

    K. V. Dobrego

    2015-01-01

    Full Text Available Employing dolomite in the capacity of a sorbent for generator gas purification is of considerable interest nowadays, as it is the impurity of generator gas that causes the major problem for creating cheep and effective co-generator plants. Designing gas purification systems employs simple but physically adequate macrokinetic models of dolomite thermal decomposition.  The  paper  analyzes  peculiarities  of  several  contemporaneous  models  of  dolomite and calcite thermal decomposition and infers on reasonable practicality for creating compact engineering dolomite-decomposition macrokinetic models and universal techniques of these models parameter reconstruction for specific dolomite samples. Such technics can be founded on thermogravimetric data and standard approximation error minimizing algorithms.The author assumes that CO2  evacuation from the reaction zone within the particle may proceed by diffusion mechanism and/or by the Darcy filtration and indicates that functional dependence of the thermal-decomposition rate from the particle sizes and the temperature differs for the specified mechanisms. The paper formulates four macrokinetic models whose correspondence verification is grounded on the experimental data. The author concludes that further work in this direction should proceed with the dolomite samples investigation and selecting the best approximation model describing experimental data in wide range of temperatures, warming up rates and the particle sizes.

  13. Effect of high heating rate on thermal decomposition behaviour of ...

    Indian Academy of Sciences (India)

    Effect of high heating rate on thermal decomposition behaviour of titanium hydride ... hydride powder, while switching it from internal diffusion to chemical reaction. ... TiH phase and oxides form on the powder surface, controlling the process.

  14. Thermal decomposition of anhydrous zinc and cadmium salicylates

    International Nuclear Information System (INIS)

    Kharitonov, Yu.Ya.; Tujebakhova, Z.K.

    1984-01-01

    On the basis of studying thermograms, thermogravigrams, IR absorption spectra, X-rayograms of anhydrous znc and cadmium salicylate complexes of the M(HSal) 2 composition, (where M=Zn, Cd; HSal is an anion of once deprotonated salicyclic acid H 2 Sal) and products of their thermal transformations, the processes are characterized of stage-by-stage thermal decomposition of these compounds under continuous heating in the air from room temperature to approximately 1000 deg C. It is shown that the Cd(HSal) 2 pyrolysis proceeds with the formation of CdSal at 170-250 deg C and CdO - at 320-460 deg C

  15. Thermal decomposition and isomerization of cis-permethrin and beta-cypermethrin in the solid phase.

    Science.gov (United States)

    González Audino, Paola; Licastro, Susana A; Zerba, Eduardo

    2002-02-01

    The stability to heart of cis-permethrin and beta-cypermethrin in the solid phase was studied and the decomposition products identified. Samples heated at 210 degrees C in an oven in the dark showed that, in the absence of potassium chlorate (the salt present in smoke-generating formulations of these pyrethroids), cis-permethrin was not isomerized, although in the presence of that salt, decomposition was greater and thermal isomerization occurred. Other salts of the type KXO3 or NaXO3, with X being halogen or nitrogen, also led to a considerable thermal isomerization. Heating the insecticides in solution in the presence of potassium chlorate did not produce isomerization in any of the solvents assayed. Salt-catalysed thermal cis-trans isomerization was also found for other pyrethroids derived from permethrinic or deltamethrinic acid but not for those derived from chrysanthemic acid. The main thermal degradation processes of cis-permethrin and beta-cypermethrin decomposition when potassium chlorate was present were cyclopropane isomerization, ester cleavage and subsequent oxidation of the resulting products. Permethrinic acid, 3-phenoxybenzyle chloride, alcohol, aldehyde and acid were identified in both cases, as well as 3-phenoxybenzyl cyanide from beta-cypermethrin. A similar decomposition pattern occurred after combustion of pyrethroid fumigant formulations.

  16. Thermal decomposition of ammonium perchlorate—A TGA–FTIR–MS study: Part I

    International Nuclear Information System (INIS)

    Mallick, Lovely; Kumar, Sudarshan; Chowdhury, Arindrajit

    2015-01-01

    Highlights: • TGA–FTIR–MS study of ammonium perchlorate. • Decomposition was divided into low, intermediate, and high temperature regimes. • N 2 O and NO 2 were the major species at low and high temperature regimes, respectively. • N 2 O, NO 2 , HNO 3 , and HCl were quantified to aid kinetic evaluation. • NO was not detected as a major product at any stage. - Abstract: The thermal decomposition of ammonium perchlorate has been studied using thermogravimetric analysis (TGA), coupled with Fourier transform infrared (FTIR) spectroscopy and electron ionization (EI) mass spectrometry (MS) of the evolved gases. The thermal decomposition could be demarcated into three distinct regimes, the low temperature decomposition (LTD) regime and the high temperature decomposition (HTD) regime, with an intermediate regime between the two, named as the intermediate temperature decomposition (ITD) regime. Using FTIR spectroscopy, N 2 O was detected as the primary species during the LTD regime, followed by HCl, NO 2 , and HNO 3 , in lesser quantities. On the contrary, NO 2 was found to be the principal species, followed by almost equal concentrations of HCl, N 2 O, and HNO 3 in the HTD regime. Other important species, such as H 2 O, Cl 2 , O 2 , etc., although observed by MS, were not quantified. NO could not be identified in appreciable quantities in any of the regimes. Based on the species detected during the present work, and previous research, a reaction scheme has been proposed for AP decomposition in the LTD and the HTD regimes

  17. 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)

  18. Effect of urea additive on the thermal decomposition kinetics of flame retardant greige cotton nonwoven fabric

    Science.gov (United States)

    Sunghyun Nam; Brian D. Condon; Robert H. White; Qi Zhao; Fei Yao; Michael Santiago Cintrón

    2012-01-01

    Urea is well known to have a synergistic action with phosphorus-based flame retardants (FRs) in enhancing the FR performance of cellulosic materials, but the effect of urea on the thermal decomposition kinetics has not been thoroughly studied. In this study, the activation energy (Ea) for the thermal decomposition of greige...

  19. 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

  20. Thermal decomposition kinetics of ammonium uranyl carbonate

    International Nuclear Information System (INIS)

    Kim, E.H.; Park, J.J.; Park, J.H.; Chang, I.S.; Choi, C.S.; Kim, S.D.

    1994-01-01

    The thermal decomposition kinetics of AUC [ammonium uranyl carbonate; (NH 4 ) 4 UO 2 (CO 3 ) 3 [ in an isothermal thermogravimetric (TG) reactor under N 2 atmosphere has been determined. The kinetic data can be represented by the two-dimensional nucleation and growth model. The reaction rate increases and activation energy decreases with increasing particle size and precipitation time which appears in the particle size larger than 30 μm in the mechano-chemical phenomena. (orig.)

  1. Single step thermal decomposition approach to prepare supported γ-Fe2O3 nanoparticles

    International Nuclear Information System (INIS)

    Sharma, Geetu; Jeevanandam, P.

    2012-01-01

    γ-Fe 2 O 3 nanoparticles supported on MgO (macro-crystalline and nanocrystalline) were prepared by an easy single step thermal decomposition method. Thermal decomposition of iron acetylacetonate in diphenyl ether, in the presence of the supports followed by calcination, leads to iron oxide nanoparticles supported on MgO. The X-ray diffraction results indicate the stability of γ-Fe 2 O 3 phase on MgO (macro-crystalline and nanocrystalline) up to 1150 °C. The scanning electron microscopy images show that the supported iron oxide nanoparticles are agglomerated while the energy dispersive X-ray analysis indicates the presence of iron, magnesium and oxygen in the samples. Transmission electron microscopy images indicate the presence of smaller γ-Fe 2 O 3 nanoparticles on nanocrystalline MgO. The magnetic properties of the supported magnetic nanoparticles at various calcination temperatures (350-1150 °C) were studied using a superconducting quantum interference device which indicates superparamagnetic behavior.

  2. Synthesis and characterization of nanosized Mg{sub x}Mn{sub 1−x}Fe{sub 2}O{sub 4} ferrites by both sol-gel and thermal decomposition methods

    Energy Technology Data Exchange (ETDEWEB)

    De-León-Prado, Laura Elena, E-mail: laura.elena.prado@gmail.com [Cinvestav-Unidad Saltillo, Av. Industria Metalúrgica #1062, Parque Industrial Saltillo-Ramos Arizpe, CP 25900, Ramos Arizpe, Coahuila, México (Mexico); Cortés-Hernández, Dora Alicia; Almanza-Robles, José Manuel; Escobedo-Bocardo, José Concepción; Sánchez, Javier; Reyes-Rdz, Pamela Yajaira; Jasso-Terán, Rosario Argentina [Cinvestav-Unidad Saltillo, Av. Industria Metalúrgica #1062, Parque Industrial Saltillo-Ramos Arizpe, CP 25900, Ramos Arizpe, Coahuila, México (Mexico); Hurtado-López, Gilberto Francisco [Centro de Investigación en Química Aplicada, Blvd. Enrique Reyna Hermosillo #140, CP 25294, Saltillo, Coahuila, México (Mexico)

    2017-04-01

    This work reports the synthesis of Mg{sub x}Mn{sub 1−x}Fe{sub 2}O{sub 4} (x=0–1) nanoparticles by both sol-gel and thermal decomposition methods. In order to determine the effect of synthesis conditions on the crystal structure and magnetic properties of the ferrites, the synthesis was carried out varying some parameters, including composition. By both methods it was possible to obtain ferrites having a single crystalline phase with cubic inverse spinel structure and a behavior near to that of superparamagnetic materials. Saturation magnetization values were higher for materials synthesized by sol-gel. Furthermore, in both cases particles have a spherical-like morphology and nanometric sizes (11–15 nm). Therefore, these materials can be used as thermoseeds for the treatment of cancer by magnetic hyperthermia. - Highlights: • Mg–Mn ferrites were synthesized by sol-gel and thermal decomposition methods. • Materials showed a single cubic inverse spinel crystalline structure. • Ferrites have a soft ferrimagnetic behavior close to superparamagnetic materials.

  3. CFD SIMULATION FOR DEMILITARIZATION OF RDX IN A ROTARY KILN BY THERMAL DECOMPOSITION

    Directory of Open Access Journals (Sweden)

    SI H. LEE

    2017-06-01

    Full Text Available Demilitarization requires the recovery and disposal of obsolete ammunition and explosives. Since open burning/detonation of hazardous waste has caused serious environmental and safety problems, thermal decomposition has emerged as one of the most feasible methods. RDX is widely used as a military explosive due to its high melting temperature and detonation power. In this work, the feasible conditions under which explosives can be safely incinerated have been investigated via a rotary kiln simulation. To solve this problem, phase change along with the reactions of RDX has been incisively analyzed. A global reaction mechanism consisting of condensed phase and gas phase reactions are used in Computational Fluid Dynamics simulation. User Defined Functions in FLUENT is utilized in this study to inculcate the reactions and phase change into the simulation. The results divulge the effect of temperature and the varying amounts of gas produced in the rotary kiln during the thermal decomposition of RDX. The result leads to the prospect of demilitarizing waste explosives to avoid the possibility of detonation.

  4. Improved accuracy and precision in δ15 NAIR measurements of explosives, urea, and inorganic nitrates by elemental analyzer/isotope ratio mass spectrometry using thermal decomposition.

    Science.gov (United States)

    Lott, Michael J; Howa, John D; Chesson, Lesley A; Ehleringer, James R

    2015-08-15

    Elemental analyzer systems generate N(2) and CO(2) for elemental composition and isotope ratio measurements. As quantitative conversion of nitrogen in some materials (i.e., nitrate salts and nitro-organic compounds) is difficult, this study tests a recently published method - thermal decomposition without the addition of O(2) - for the analysis of these materials. Elemental analyzer/isotope ratio mass spectrometry (EA/IRMS) was used to compare the traditional combustion method (CM) and the thermal decomposition method (TDM), where additional O(2) is eliminated from the reaction. The comparisons used organic and inorganic materials with oxidized and/or reduced nitrogen and included ureas, nitrate salts, ammonium sulfate, nitro esters, and nitramines. Previous TDM applications were limited to nitrate salts and ammonium sulfate. The measurement precision and accuracy were compared to determine the effectiveness of converting materials containing different fractions of oxidized nitrogen into N(2). The δ(13) C(VPDB) values were not meaningfully different when measured via CM or TDM, allowing for the analysis of multiple elements in one sample. For materials containing oxidized nitrogen, (15) N measurements made using thermal decomposition were more precise than those made using combustion. The precision was similar between the methods for materials containing reduced nitrogen. The %N values were closer to theoretical when measured by TDM than by CM. The δ(15) N(AIR) values of purchased nitrate salts and ureas were nearer to the known values when analyzed using thermal decomposition than using combustion. The thermal decomposition method addresses insufficient recovery of nitrogen during elemental analysis in a variety of organic and inorganic materials. Its implementation requires relatively few changes to the elemental analyzer. Using TDM, it is possible to directly calibrate certain organic materials to international nitrate isotope reference materials without off

  5. The correlation between elongation at break and thermal decomposition of aged EPDM cable polymer

    International Nuclear Information System (INIS)

    Šarac, T.; Devaux, J.; Quiévy, N.; Gusarov, A.; Konstantinović, M.J.

    2017-01-01

    The effect of simultaneous thermal and gamma irradiation ageing on the mechanical and physicochemical properties of industrial EPDM was investigated. Accelerated ageing, covering a wide range of dose rates, doses and temperatures, was preformed in stagnant air on EPDM polymer samples extracted from the cables in use in the Belgian nuclear power plants. The mechanical properties, ultimate tensile stress and elongation at break, are found to exhibit the strong dependence on the dose, ageing temperature and dose rate. The thermal decomposition of aged polymer is observed to be the dose dependent when thermogravimetry test is performed under air atmosphere. No dose dependence is observed when thermal decomposition is performed under nitrogen atmosphere. The thermal decomposition rates are found to fully mimic the reduction of elongation at break for all dose rates and ageing temperatures. This effect is argued to be the result of thermal and radiation mediated oxidation degradation process. - Highlights: • EPDM is aged in a wide range of dose rates and temperatures. • Tensile and thermogravimetry test were performed. • Mechanical parameters are strongly affected by irradiation dose and temperature. • Direct link between the mechanical and physicochemical properties is provided. • Thermal and radiation mediated oxidation degradation is considered to be important.

  6. Mechanism and kinetics of thermal decomposition of ammoniacal complex of copper oxalate

    International Nuclear Information System (INIS)

    Prasad, R.

    2003-01-01

    A complex precursor has been synthesized by dissolving copper oxalate in liquor ammonia followed by drying. The thermal decomposition of the precursor has been studied in different atmospheres, air/nitrogen. The mechanism of decomposition of the precursor in air is not as simple one as in nitrogen. In nitrogen, it involves endothermic deammoniation followed by decomposition to finely divided elemental particles of copper. Whereas in air, decomposition and simultaneous oxidation of the residual products (oxidative decomposition), make the process complex and relatively bigger particle of cupric oxide are obtained as final product. The products of decomposition in different atmospheres have been characterized by X-ray diffraction and particle size analysis. The stoichiometric formula, Cu(NH 3 ) 2 C 2 O 4 of the precursor is established from elemental analysis and TG measurements, and it is designated as copper amino oxalate (CAO). In nitrogen atmosphere, the deammoniation and decomposition have been found to be zero and first order, respectively. The values of activation energy have been found to be 102.52 and 95.38 kJ/mol for deammoniation and decomposition, respectively

  7. Thermal decomposition of a molecular material {N(n-C4H94[FeIIFeIII(C2O43]}∞ leading to ferrite: A reaction kinetics study

    Directory of Open Access Journals (Sweden)

    Bhattacharjee Ashis

    2013-01-01

    Full Text Available A multi-step thermal decomposition of a molecular precursor, {N(n-C4H94[FeIIFeIII(C2O43}∞ has been studied using non-isothermal thermogravimetry (TG measurements in the temperature range 300 to ~800 K at multiple heating rates (5, 10 and 20 K min-1. The thermal decomposition of the oxalate-based complex proceeds stepwise through a series of intermediate reactions. Two different isoconversional methods, namely, improved iterative method and model-free method are employed to evaluate the kinetic parameters: activation energy and rate of reaction, and the most probable reaction mechanism of thermal decomposition is also determined. The different reaction pathways leading to different steps in the TG profile have also been explored which are supplemented by earlier experimental observations of the present authors.

  8. TG-FTIR, DSC and quantum chemical studies of the thermal decomposition of quaternary methylammonium halides

    International Nuclear Information System (INIS)

    Sawicka, Marlena; Storoniak, Piotr; Skurski, Piotr; Blazejowski, Jerzy; Rak, Janusz

    2006-01-01

    The thermal decomposition of quaternary methylammonium halides was studied using thermogravimetry coupled to FTIR (TG-FTIR) and differential scanning calorimetry (DSC) as well as the DFT, MP2 and G2 quantum chemical methods. There is almost perfect agreement between the experimental IR spectra and those predicted at the B3LYP/6-311G(d,p) level: this has demonstrated for the first time that an equimolar mixture of trimethylamine and a methyl halide is produced as a result of decomposition. The experimental enthalpies of dissociation are 153.4, 171.2, and 186.7 kJ/mol for chloride, bromide and iodide, respectively, values that correlate well with the calculated enthalpies of dissociation based on crystal lattice energies and quantum chemical thermodynamic barriers. The experimental activation barriers estimated from the least-squares fit of the F1 kinetic model (first-order process) to thermogravimetric traces - 283, 244 and 204 kJ/mol for chloride, bromide and iodide, respectively - agree very well with theoretically calculated values. The theoretical approach assumed in this work has been shown capable of predicting the relevant characteristics of the thermal decomposition of solids with experimental accuracy

  9. Design and implementation of mixing chambers to improve thermal decomposition of urea for NOX abatement

    KAUST Repository

    Lee, Junggil

    2012-10-01

    Urea-selective catalytic reduction (SCR) has been reported as the most promising technique for adherence to NOX emissions regulations. In the urea-SCR process, NH3 is generated by urea thermal decomposition and hydrolysis and is then used as a reductant of NOX in the SCR catalyst. Therefore, improving the NOX conversion efficiency of urea-SCR requires enhancement of thermal decomposition upstream of the SCR catalyst. In the present work, two types of mixing chambers were designed and fabricated to improve urea thermal decomposition, and experiments with and without a mixing chamber were carried out to analyze thermal-decomposition characteristics of urea in the exhaust pipe with respect to inlet velocity (4-12μm/s) and temperature (350°C-500°C). Urea thermal decomposition is greatly enhanced at higher gas temperatures. At an inlet velocity of 6μm/s in the A-type mixing chamber, NH3 concentrations generated along the exhaust pipe were about 171% and 157% greater than those without the mixing chamber for inlet temperatures of 400°C and 500°C, respectively. In the case of the B-type mixing chamber, NH3 concentrations generated at inlet temperatures of 400°C and 500°C were about 147% and 179% greater than those without the mixing chamber, respectively. Note that the implementation of mixing chambers significantly enhanced conversion of urea to NH3 because it increased the residence time of urea in the exhaust pipe and improved mixing between urea and exhaust gas. © 2012, Mary Ann Liebert, Inc.

  10. Thermal decomposition of ammonium perchlorate—A TGA–FTIR–MS study: Part I

    Energy Technology Data Exchange (ETDEWEB)

    Mallick, Lovely; Kumar, Sudarshan [Department of Aerospace Engineering, Indian Institute of Technology, Bombay, Mumbai 400076 (India); Chowdhury, Arindrajit, E-mail: arindra@iitb.ac.in [Department of Mechanical Engineering Indian Institute of Technology, Bombay, Mumbai 400076 (India)

    2015-06-20

    Highlights: • TGA–FTIR–MS study of ammonium perchlorate. • Decomposition was divided into low, intermediate, and high temperature regimes. • N{sub 2}O and NO{sub 2} were the major species at low and high temperature regimes, respectively. • N{sub 2}O, NO{sub 2}, HNO{sub 3}, and HCl were quantified to aid kinetic evaluation. • NO was not detected as a major product at any stage. - Abstract: The thermal decomposition of ammonium perchlorate has been studied using thermogravimetric analysis (TGA), coupled with Fourier transform infrared (FTIR) spectroscopy and electron ionization (EI) mass spectrometry (MS) of the evolved gases. The thermal decomposition could be demarcated into three distinct regimes, the low temperature decomposition (LTD) regime and the high temperature decomposition (HTD) regime, with an intermediate regime between the two, named as the intermediate temperature decomposition (ITD) regime. Using FTIR spectroscopy, N{sub 2}O was detected as the primary species during the LTD regime, followed by HCl, NO{sub 2}, and HNO{sub 3}, in lesser quantities. On the contrary, NO{sub 2} was found to be the principal species, followed by almost equal concentrations of HCl, N{sub 2}O, and HNO{sub 3} in the HTD regime. Other important species, such as H{sub 2}O, Cl{sub 2}, O{sub 2}, etc., although observed by MS, were not quantified. NO could not be identified in appreciable quantities in any of the regimes. Based on the species detected during the present work, and previous research, a reaction scheme has been proposed for AP decomposition in the LTD and the HTD regimes.

  11. Thermal decomposition of rhenium (5) complexes with 1,2,4-triazole. Termicheskoe razlozhenie kompleksov reniya (5) s 1,2,4-triazolom

    Energy Technology Data Exchange (ETDEWEB)

    Amindzhanov, A A; Gagieva, S Ch; Kotegov, K V [Tadzhikskij Gosudarstvennyj Univ., Dushanbe (Tajikistan)

    1991-01-01

    Processes of thermal decomposition of rhenium (5) complexes with 1,2,4-triazole were studied. Thermolysis products were identified on the basis of data of the element analysis, IR spectra, conductometry and other methods. It is ascertained that at the first stage of thermolysis of hydroxyl-containing monomer complexes removal of water molecules occurs, and at the second one - dimerization process with formation of Re-O-Re group. It is shown that the nature of halide ion practically does not affect the temperature of the start of intensive thermal decomposition of the complexes.

  12. Thermal Decomposition Model Development of EN-7 and EN-8 Polyurethane Elastomers.

    Energy Technology Data Exchange (ETDEWEB)

    Keedy, Ryan Michael [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Harrison, Kale Warren [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Cordaro, Joseph Gabriel [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-10-01

    Thermogravimetric analysis - gas chromatography/mass spectrometry (TGA- GC/MS) experiments were performed on EN-7 and EN-8, analyzed, and reported in [1] . This SAND report derives and describes pyrolytic thermal decomposition models for use in predicting the responses of EN-7 and EN-8 in an abnormal thermal environment.

  13. Thermal decomposition of woody wastes contaminated with radioactive materials using externally-heated horizontal kiln

    International Nuclear Information System (INIS)

    Iwasaki, Toshiyuki; Kato, Shigeru; Yamasaki, Akihiro; Ito, Takuya; Suzuki, Seiichi; Kojima, Toshinori; Kodera, Yoichi; Hatta, Akimichi; Kikuzato, Masahiro

    2015-01-01

    Thermal decomposition experiments of woody wastes contaminated with radioactive materials were conducted using an externally-heated horizontal kiln in the work area for segregation of disaster wastes at Hirono Town, Futaba County, Fukushima Prefecture. Radioactivity was not detected in gaseous products of thermal decomposition at 923 K and 1123 K after passage through a trap filled with activated carbon. The contents of radioactive cesium ( 134 Cs and 137 Cs) were measured in the solid and liquid products of the thermal decomposition experiments and in the residues in the kiln after all of the experiments. Although a trace amount of radioactive cesium was found in the washing trap during the start-up period of operation at 923 K, most of the cesium remained in the char, including the residues in the kiln. These results suggest that most of the radioactive cesium is trapped in char particles and is not emitted in gaseous form. (author)

  14. Effect of mechanical activation on structure and thermal decomposition of aluminum sulfate

    International Nuclear Information System (INIS)

    Ghasri-Khouzani, M.; Meratian, M.; Panjepour, M.

    2009-01-01

    The thermal decompositions of both non-activated and mechanically activated aluminum sulfates were studied by thermogravimetry (TG). The structural disorder, the specific surface area (SSA) and the morphology of mechanically activated aluminum sulfates were analyzed by X-ray diffraction (XRD), laser particle-size analyzer, and scanning electron microscopy (SEM), respectively. Thermal analyses results indicated that the initial temperature of thermal decomposition (T i ) in TG curves for mechanically activated aluminum sulfates decreased gradually with increasing the milling time. It was also found that the SSA of mechanically activated aluminum sulfates remained almost constant after a certain milling time, and lattice strains (ε) rose but the crystallite sizes (D) decreased with increasing the milling time. These results showed that the decrease of T i in TG curves of mechanically activated aluminum sulfates was mainly caused by the increase of lattice distortions and decrease of the crystallite sizes with increasing the milling time

  15. Solid-phase thermal decomposition of 2,4-dinitroimidazole (2,4-DNI)

    Energy Technology Data Exchange (ETDEWEB)

    Minier, L.; Behrens, R. Jr. [Rome Astronomical Observatory (Italy). Space Physics Research Center; Bulusu, S. [Army Armament Research and Development Command, Dover, NJ (United States). Energetic Materials Div.

    1996-12-31

    The solid-phase thermal decomposition of the insensitive energetic nitroaromatic heterocycle 2,4-dinitroimidazole (2,4-DNI: mp 265--274C) is studied utilizing simultaneous thermogravimetric modulated beam mass spectrometry (STMBMS) between 200 and 247C. The pyrolysis products have been identified using perdeuterated and {sup 15}N-labeled isotopomers. The products consist of low molecular-weight gases and a thermally stable solid residue. The major gaseous products are NO, CO{sub 2}, CO, N{sub 2}, HNCO and H{sub 2}O. Minor gaseous products are HCN, C{sub 2}N{sub 2}, NO{sub 2}, C{sub 3}H{sub 4}N{sub 2}, C{sub 3}H{sub 3}N{sub 3}O and NH{sub 3}. The elemental formula of the residue is C{sub 2}HN{sub 2}O and FTIR analysis suggests that it is polyurea- and polycarbamate-like in nature. Rates of formation of the gaseous products and their respective quantities have been determined for a typical isothermal decomposition experiment at 235C. The temporal behaviors of the gas formation rates indicate that the overall decomposition is characterized by a sequence of four events; (1) an early decomposition period induced by impurities and water, (2) an induction period where C0{sub 2} and NO are the primary products formed at relatively constant rates, (3) an autoacceleratory period that peaks when the sample is depleted and (4) a final period in which the residue decomposes. Arrhenius parameters for the induction period are E{sub a} = 46.9 {plus_minus} 0.7 kcal/mol and Log(A) = 16.3 {plus_minus} 0.3. Decomposition pathways that are consistent with the data are presented.

  16. Thermal decomposition of uranylnitrate by the Spray-Dryer process

    International Nuclear Information System (INIS)

    Wildhagen, G.R.S.; Silva, G.C. da

    1988-01-01

    The proposal of this work consist in the thermal decomposition of uranyl nitrate solutions by the Spray-Dryer process aiming the production of highly reactive fluidized UO 3 , adequate for the use in posterior of reduction to UO 2 and hydrofluorination to UF 4 , in a fluidized bed for the obtention of UF 6 in the cicle of nuclear fuels. (author) [pt

  17. Study on Thermal Decomposition Characteristics of Ammonium Nitrate Emulsion Explosive in Different Scales

    Science.gov (United States)

    Wu, Qiujie; Tan, Liu; Xu, Sen; Liu, Dabin; Min, Li

    2018-04-01

    Numerous accidents of emulsion explosive (EE) are attributed to uncontrolled thermal decomposition of ammonium nitrate emulsion (ANE, the intermediate of EE) and EE in large scale. In order to study the thermal decomposition characteristics of ANE and EE in different scales, a large-scale test of modified vented pipe test (MVPT), and two laboratory-scale tests of differential scanning calorimeter (DSC) and accelerating rate calorimeter (ARC) were applied in the present study. The scale effect and water effect both play an important role in the thermal stability of ANE and EE. The measured decomposition temperatures of ANE and EE in MVPT are 146°C and 144°C, respectively, much lower than those in DSC and ARC. As the size of the same sample in DSC, ARC, and MVPT successively increases, the onset temperatures decrease. In the same test, the measured onset temperature value of ANE is higher than that of EE. The water composition of the sample stabilizes the sample. The large-scale test of MVPT can provide information for the real-life operations. The large-scale operations have more risks, and continuous overheating should be avoided.

  18. Mechanistic Aspects of the Thermal Decomposition of Dicyclopentadienyl Titanium(IV) Dibenzyl

    NARCIS (Netherlands)

    Boekel, C.P.; Teuben, J.H.; Liefde Meijer, H.J. de

    1975-01-01

    The thermal decomposition of dicyclopentadienyltitanium(IV) dibenzyl in the solid state and in hydrocarbon solvents has been investigated. The compound decomposes via intermolecular abstraction of hydrogen atoms from the cyclopentadienyl rings with quantitative formation of toluene. The reaction was

  19. Determination of Characteristic Peroids of Suppression of Thermal Decomposition Reaction of Forest Fuel Material by Specialized Software

    Directory of Open Access Journals (Sweden)

    Gumerov Vladislav M.

    2015-01-01

    Full Text Available Experimental studies determining periods of suppression of thermal decomposition reaction of forest combustible materials was carried out by high-speed, cross-correlation cameras and panoramic techniques PIV and IPI under influence of water steam. Conditions and characteristics of reaction termination of thermal decomposition of forest combustible materials under reaction with steam cloud were defined.

  20. Thermal decomposition kinetics of strontium permanganate trihydrate, cadmium permanganate hexahydrate and calcium permanganate pentahydrate crystals

    International Nuclear Information System (INIS)

    Sakurai, K.R.; Schaeffer, D.A.; Herley, P.J.

    1978-01-01

    A thermogravimetric study of the kinetics of thermal nuclei formation and growth has been carried out for the dehydration and decomposition of single crystal strontium permanganate trihydrate, cadmium permanganate hexahydrate, and calcium permanganate pentahydrate. The isothermal dehydration of strontium parmanganate trihydrate occurs in two stages between 50 and 100 0 C. The dehydration kinetics suggest that the two dehydration stages are based on a single-step nucleation process followed by a growth process without nuclei overlap. The resulting activation energies are consistent with the proposed nucleation theory. For the dehydration kinetics of cadmium permanganate hexahydrate, an overlapping nucleation growth mechanism appears to be operating between 30 and 60 0 C. The results are irreproducible for the dehydration of calcium permanganate pentahydrate at 100 0 C. The thermal decomposition studies indicate that the data of the sigmoidal, isothermal fractional decomposition vs. time curves are reproducible for whole and ground crystals of each dehydrated permanganate. All of the data plots contain an induction or slow rate period, an acceleratory and a decay period. The induction period can be shortened by irradiation with 60 Co γ-rays prior to decomposition. Activation energies obtained for all three materials for the various thermal decomposition periods are found to be similar to those published previously on other alkali and alkaline-earth permanganates. (Auth.)

  1. High-temperature Raman study of L-alanine, L-threonine and taurine crystals related to thermal decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Cavaignac, A.L.O. [Centro de Ciências Sociais, Saúde e Tecnologia, Universidade Federal do Maranhão, Imperatriz, MA 65900-410 (Brazil); Lima, R.J.C., E-mail: ricardo.lima.ufma@gmail.com [Centro de Ciências Sociais, Saúde e Tecnologia, Universidade Federal do Maranhão, Imperatriz, MA 65900-410 (Brazil); Façanha Filho, P.F. [Centro de Ciências Sociais, Saúde e Tecnologia, Universidade Federal do Maranhão, Imperatriz, MA 65900-410 (Brazil); Moreno, A.J.D. [Coordenação de Ciências Naturais, Universidade Federal do Maranhão, Bacabal, MA 65700-000 (Brazil); Freire, P.T.C. [Departamento de Física, Universidade Federal do Ceará, Fortaleza, CE 60455-760 (Brazil)

    2016-03-01

    In this work high-temperature Raman spectra are used to compare temperature dependence of the lattice mode wavenumber of L-alanine, L-threonine and taurine crystals. Anharmonic effects observed are associated with intermolecular N-H· · ·O hydrogen bond that plays an important role in thermal decomposition process of these materials. Short and strong hydrogen bonds in L-alanine crystal were associated with anharmonic effects in lattice modes leading to low thermal stability compared to taurine crystals. Connection between thermal decomposition process and anharmonic effects is furnished for the first time.

  2. High-temperature Raman study of L-alanine, L-threonine and taurine crystals related to thermal decomposition

    International Nuclear Information System (INIS)

    Cavaignac, A.L.O.; Lima, R.J.C.; Façanha Filho, P.F.; Moreno, A.J.D.; Freire, P.T.C.

    2016-01-01

    In this work high-temperature Raman spectra are used to compare temperature dependence of the lattice mode wavenumber of L-alanine, L-threonine and taurine crystals. Anharmonic effects observed are associated with intermolecular N-H· · ·O hydrogen bond that plays an important role in thermal decomposition process of these materials. Short and strong hydrogen bonds in L-alanine crystal were associated with anharmonic effects in lattice modes leading to low thermal stability compared to taurine crystals. Connection between thermal decomposition process and anharmonic effects is furnished for the first time.

  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. Validation of Heat Transfer Thermal Decomposition and Container Pressurization of Polyurethane Foam.

    Energy Technology Data Exchange (ETDEWEB)

    Scott, Sarah Nicole; Dodd, Amanda B.; Larsen, Marvin E.; Suo-Anttila, Jill M.; Erickson, Kenneth L

    2014-09-01

    Polymer foam encapsulants provide mechanical, electrical, and thermal isolation in engineered systems. In fire environments, gas pressure from thermal decomposition of polymers can cause mechanical failure of sealed systems. In this work, a detailed uncertainty quantification study of PMDI-based polyurethane foam is presented to assess the validity of the computational model. Both experimental measurement uncertainty and model prediction uncertainty are examined and compared. Both the mean value method and Latin hypercube sampling approach are used to propagate the uncertainty through the model. In addition to comparing computational and experimental results, the importance of each input parameter on the simulation result is also investigated. These results show that further development in the physics model of the foam and appropriate associated material testing are necessary to improve model accuracy.

  5. Synthesis of MnxGa1−xFe2O4 magnetic nanoparticles by thermal decomposition method for medical diagnosis applications

    International Nuclear Information System (INIS)

    Sánchez, Javier; Cortés-Hernández, Dora Alicia; Escobedo-Bocardo, José Concepción; Almanza-Robles, José Manuel; Reyes-Rodríguez, Pamela Yajaira; Jasso-Terán, Rosario Argentina; Bartolo-Pérez, Pascual; De-León-Prado, Laura Elena

    2017-01-01

    In this work, the synthesis of Mn x Ga 1−x Fe 2 O 4 (x=0–1) nanosized particles by thermal decomposition method, using tetraethylene glycol (TEG) as a reaction medium, has been performed. The crystalline structure of the inverse spinel obtained in all the cases was identified by X-ray diffraction (XRD). Vibration sample magnetometry (VSM) was used to evaluate the magnetic properties of ferrites and to demonstrate their superparamagnetic behavior and the increase of magnetization values due to the Mn 2+ ions incorporation into the FeGa 2 O 4 structure. Transmission electron microscopy, energy dispersive spectroscopy (TEM-EDS) and X-ray photoelectron spectroscopy (XPS) were used to characterize the obtained magnetic nanoparticles (MNPs). These MNPs showed a near spherical morphology, an average particle size of 5.6±1.5 nm and a TEG coating layer on their surface. In all the cases MNPs showed no response when submitted to an alternating magnetic field (AMF, 10.2 kA/m, 354 kHz) using magnetic induction tests. These results suggest that the synthesized nanoparticles can be potential candidates for their use in biomedical areas. - Highlights: • Superparamagnetic NPs of Mn x Ga 1−x Fe 2 O 4 were synthesized by thermal decomposition. • Saturation magnetization of MnGaFe 2 O 4 increases as Mn ions are increased. • Nanoparticles have a nanometric size of 5.6 nm and show no heating ability.

  6. Thermal decomposition of ammonium perchlorate in the presence of Al(OH){sub 3}·Cr(OH){sub 3} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, WenJing [Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190 (China); National Engineering Laboratory for Hydrometallurgical Cleaner Production Technology, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Li, Ping, E-mail: lipinggnipil@home.ipe.ac.cn [Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190 (China); National Engineering Laboratory for Hydrometallurgical Cleaner Production Technology, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190 (China); Xu, HongBin; Sun, Randi; Qing, Penghui; Zhang, Yi [Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190 (China); National Engineering Laboratory for Hydrometallurgical Cleaner Production Technology, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190 (China)

    2014-03-01

    Highlights: • The amorphous Al(OH){sub 3}·Cr(OH){sub 3} nanoparticles containing surface hydroxyls were prepared by a hydrolytic co-precipitation method. • The Al(OH){sub 3}·Cr(OH){sub 3} nanoparticles show excellent catalytic ability for AP decomposition. • The surface hydroxyls and amorphous form of Al(OH){sub 3}·Cr(OH){sub 3} nanoparticles promote ammonia oxidation of AP. - Abstract: An Al(OH){sub 3}·Cr(OH){sub 3} nanoparticle preparation procedure and its catalytic effect and mechanism on thermal decomposition of ammonium perchlorate (AP) were investigated using transmission electron microscopy (TEM), X-ray diffraction (XRD), thermogravimetric analysis and differential scanning calorimetry (TG-DSC), X-ray photoelectron spectroscopy (XPS), and thermogravimetric analysis and mass spectroscopy (TG-MS). In the preparation procedure, TEM, SAED, and FT-IR showed that the Al(OH){sub 3}·Cr(OH){sub 3} particles were amorphous particles with dimensions in the nanometer size regime containing a large amount of surface hydroxyl under the controllable preparation conditions. When the Al(OH){sub 3}·Cr(OH){sub 3} nanoparticles were used as additives for the thermal decomposition of AP, the TG-DSC results showed that the addition of Al(OH){sub 3}·Cr(OH){sub 3} nanoparticles to AP remarkably decreased the onset temperature of AP decomposition from approximately 450 °C to 245 °C. The FT-IR, RS and XPS results confirmed that the surface hydroxyl content of the Al(OH){sub 3}·Cr(OH){sub 3} nanoparticles decreased from 67.94% to 63.65%, and Al(OH){sub 3}·Cr(OH){sub 3} nanoparticles were limitedly transformed from amorphous to crystalline after used as additives for the thermal decomposition of AP. Such behavior of Al(OH){sub 3}·Cr(OH){sub 3} nanoparticles promoted the oxidation of NH{sub 3} of AP to decompose to N{sub 2}O first, as indicated by the TG-MS results, accelerating the AP thermal decomposition.

  7. Preparation of lanthanum sulfide nanoparticles by thermal decomposition of lanthanum complex

    Institute of Scientific and Technical Information of China (English)

    LI Peisen; LI Huanyong; JIE Wanqi

    2011-01-01

    γ-La2S3 nanoparticles were successfully prepared by thermal decomposition of lanthanum complex La(Et2S2CN)3·phen at low temperature. The obtained sample was characterized by the X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and element analysis. The decomposition mechanism of lanthanum complex was studied by thermogravimetric analyses (TGA). The results showed that the obtained samples were cubic phase particles with uniform sizes among 10-30 nm and γ-La2S3 was prepared by decomposition of La(Et2S2CN)3 phen via La4(Et2S2CN)3 as an intermediate product. The band gap of γ-La2S3 was 2.97 eV, which was bigger than bulk crystal because of pronounced quantum confinement effect.

  8. The thermal decomposition behavior of ammonium perchlorate and of an ammonium-perchlorate-based composite propellant

    Energy Technology Data Exchange (ETDEWEB)

    Behrens, R.; Minier, L.

    1998-03-24

    The thermal decomposition of ammonium perchlorate (AP) and ammonium-perchlorate-based composite propellants is studied using the simultaneous thermogravimetric modulated beam mass spectrometry (STMBMS) technique. The main objective of the present work is to evaluate whether the STMBMS can provide new data on these materials that will have sufficient detail on the reaction mechanisms and associated reaction kinetics to permit creation of a detailed model of the thermal decomposition process. Such a model is a necessary ingredient to engineering models of ignition and slow-cookoff for these AP-based composite propellants. Results show that the decomposition of pure AP is controlled by two processes. One occurs at lower temperatures (240 to 270 C), produces mainly H{sub 2}O, O{sub 2}, Cl{sub 2}, N{sub 2}O and HCl, and is shown to occur in the solid phase within the AP particles. 200{micro} diameter AP particles undergo 25% decomposition in the solid phase, whereas 20{micro} diameter AP particles undergo only 13% decomposition. The second process is dissociative sublimation of AP to NH{sub 3} + HClO{sub 4} followed by the decomposition of, and reaction between, these two products in the gas phase. The dissociative sublimation process occurs over the entire temperature range of AP decomposition, but only becomes dominant at temperatures above those for the solid-phase decomposition. AP-based composite propellants are used extensively in both small tactical rocket motors and large strategic rocket systems.

  9. The thermal decomposition of copper(II) oxalate revisited

    International Nuclear Information System (INIS)

    Lamprecht, Emmanuel; Watkins, Gareth M.; Brown, Michael E.

    2006-01-01

    DSC, TG and TG-FT-IR, and XRPD have been used to examine the effects of supposedly inert atmospheres of argon and nitrogen on the mechanism of the thermal decomposition of copper(II) oxalate. The DSC curves in pure argon at 10 deg. C min -1 show a broad endotherm with onset at about 280 deg. C and maximum at about 295 deg. C. In mixtures of argon and nitrogen, as the proportion of argon gas is decreased, the endothermic character of the decomposition decreases until, when nitrogen is the main component, the decomposition exhibits a complex broad exothermic character. XRPD studies showed that, regardless of the proportions of nitrogen and argon, the DSC residues consisted of mainly copper metal with small amounts of copper(I) oxide (cuprite) and, under some conditions, traces of copper(II) oxide (tenorite). Various explanations for this behaviour are discussed and a possible answer lies in the disproportionation of CO 2 (g) to form small quantities of O 2 (g) or monatomic oxygen. The possibility exists that the exothermicity in nitrogen could be explained by reaction of the nitrogen with atomic oxygen to form N 2 O(g), but this product could not be detected using TG-FT-IR

  10. The thermal decomposition of copper(II) oxalate revisited

    Energy Technology Data Exchange (ETDEWEB)

    Lamprecht, Emmanuel [Chemistry Department, Rhodes University, Grahamstown 6140 (South Africa); Watkins, Gareth M. [Chemistry Department, Rhodes University, Grahamstown 6140 (South Africa); Brown, Michael E. [Chemistry Department, Rhodes University, Grahamstown 6140 (South Africa)]. E-mail: m.brown@ru.ac.za

    2006-07-01

    DSC, TG and TG-FT-IR, and XRPD have been used to examine the effects of supposedly inert atmospheres of argon and nitrogen on the mechanism of the thermal decomposition of copper(II) oxalate. The DSC curves in pure argon at 10 deg. C min{sup -1} show a broad endotherm with onset at about 280 deg. C and maximum at about 295 deg. C. In mixtures of argon and nitrogen, as the proportion of argon gas is decreased, the endothermic character of the decomposition decreases until, when nitrogen is the main component, the decomposition exhibits a complex broad exothermic character. XRPD studies showed that, regardless of the proportions of nitrogen and argon, the DSC residues consisted of mainly copper metal with small amounts of copper(I) oxide (cuprite) and, under some conditions, traces of copper(II) oxide (tenorite). Various explanations for this behaviour are discussed and a possible answer lies in the disproportionation of CO{sub 2}(g) to form small quantities of O{sub 2}(g) or monatomic oxygen. The possibility exists that the exothermicity in nitrogen could be explained by reaction of the nitrogen with atomic oxygen to form N{sub 2}O(g), but this product could not be detected using TG-FT-IR.

  11. Thermal decomposition of hydroxylamine: isoperibolic calorimetric measurements at different conditions.

    Science.gov (United States)

    Adamopoulou, Theodora; Papadaki, Maria I; Kounalakis, Manolis; Vazquez-Carreto, Victor; Pineda-Solano, Alba; Wang, Qingsheng; Mannan, M Sam

    2013-06-15

    Thermal decomposition of hydroxylamine, NH2OH, was responsible for two serious accidents. However, its reactive behavior and the synergy of factors affecting its decomposition are not being understood. In this work, the global enthalpy of hydroxylamine decomposition has been measured in the temperature range of 130-150 °C employing isoperibolic calorimetry. Measurements were performed in a metal reactor, employing 30-80 ml solutions containing 1.4-20 g of pure hydroxylamine (2.8-40 g of the supplied reagent). The measurements showed that increased concentration or temperature, results in higher global enthalpies of reaction per unit mass of reactant. At 150 °C, specific enthalpies as high as 8 kJ per gram of hydroxylamine were measured, although in general they were in the range of 3-5 kJ g(-1). The accurate measurement of the generated heat was proven to be a cumbersome task as (a) it is difficult to identify the end of decomposition, which after a fast initial stage, proceeds very slowly, especially at lower temperatures and (b) the environment of gases affects the reaction rate. Copyright © 2013 Elsevier B.V. All rights reserved.

  12. Thermal decomposition of cesium-ethylene-ternary graphite intercalation compounds

    International Nuclear Information System (INIS)

    Matsumoto, R.; Oishi, Y.; Arii, T.

    2010-01-01

    In this paper, the thermal decomposition of air-stable Cs-ethylene-ternary graphite intercalation compounds (GICs) is discussed. The air stability of Cs-GICs is improved remarkably after the absorption of ethylene into their interlayer nanospace, because the ethylene molecules oligomerize and block the movement of Cs atoms. In addition, the evaporation of Cs atoms from the Cs-ethylene-ternary GICs is observed above 400 o C under a N 2 atmosphere of 100 Pa by ion attachment mass spectrometry. Although the results indicate that Cs-ethylene-ternary GICs remain stable up to approximately 400 o C, their thermal stability is not very high as compared to that of Cs-GICs.

  13. Theoretical study of the pressure dependent rate constants of the thermal decomposition of β-propiolactone

    Directory of Open Access Journals (Sweden)

    Abolfazl Shiroudi

    2015-09-01

    Full Text Available A theoretical study of the thermal decomposition of β-propiolactone is carried out using ab initio molecular orbital (MO methods at the MP2/6-311+G∗∗ level and Rice–Ramsperger–Kassel–Marcus (RRKM theory. The reported experimental results showed that decomposition of β-propiolactone occurred by three competing homogeneous and first order reactions. For the three reactions, the calculation was also performed at the MP2/6-311+G∗∗ level of theory, as well as by single-point calculations at the B3LYP/6-311+G∗∗//MP2/6-311+G∗∗, and MP4/6-311+G∗∗//MP2/6-311+G∗∗ levels of theory. The fall-off pressures for the decomposition in these reactions are found to be 2.415, 9.423 × 10−2 and 3.676 × 10−3 mmHg, respectively.

  14. Facile fabrication of Fe{sub 3}O{sub 4} and Co{sub 3}O{sub 4} microspheres and their influence on the thermal decomposition of ammonium perchlorate

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yifu, E-mail: yfzhang@dlut.edu.cn; Meng, Changgong

    2016-07-25

    Fe{sub 3}O{sub 4} and Co{sub 3}O{sub 4} microspheres were successfully synthesized by the hydrothermal decomposition of iron oxalate and cobalt oxalate solution. The composition and morphology of synthesized powders were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM) techniques. The catalytic properties of the as-obtained Fe{sub 3}O{sub 4} and Co{sub 3}O{sub 4} microspheres on the thermal decomposition of ammonium perchlorate (AP) were evaluated by thermo-gravimetric analysis and differential thermal analysis (TGA/DTA) methods. The thermal decomposition temperatures of AP in the presence of 1, 2, 4 and 8 wt% of Fe{sub 3}O{sub 4} microspheres were respectively decreased by 58, 80, 102 and 129 °C (lowered to 398, 376, 354 and 327 °C). And the thermal decomposition temperatures of AP in the presence of 1, 2, 4 and 8 wt% of Co{sub 3}O{sub 4} microspheres were respectively decreased by 55, 74, 112 and 131 °C (lowered to 401, 382, 344 and 325 °C). The analysis of the thermal gravimetric analyzer couplet with infrared spectroscopy (TG-IR) test reveal that the additives can accelerate the thermal decomposition of AP via the high-temperature decomposition. All the results suggest the as-prepared Fe{sub 3}O{sub 4} and Co{sub 3}O{sub 4} microspheres have highly catalytic properties on the thermal decomposition of AP, which can be used as the promising additives in the future. - Graphical abstract: Real-time FTIR spectra to reveal the thermal decomposition process of AP. - Highlights: • Highly uniform Fe{sub 3}O{sub 4} and Co{sub 3}O{sub 4} microspheres were successfully synthesized. • The T{sub c} of AP with 1, 2, 4 and 8 wt% of Fe{sub 3}O{sub 4} microspheres was decreased by 58, 80, 102 and 129 °C. • The T{sub c} of AP with 1, 2, 4 and 8 wt% of Co{sub 3}O{sub 4} microspheres was decreased by 55, 74, 112 and 131 °C. • The thermal decomposition process of AP was detected by TG-IR.

  15. 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.

  16. Kinetics study of thermal decomposition of calcium carboxylate salts

    International Nuclear Information System (INIS)

    Landoll, Michael P.; Holtzapple, Mark T.

    2013-01-01

    The MixAlco™ process ferments lignocellulosic biomass to carboxylate salts that are thermally decomposed into ketones, which are then chemically converted to a wide variety of chemicals and fuels. To perform these decompositions, suitable reaction models are necessary to properly design, scale, and optimize commercial reactors. For three salt types (calcium acetate, and two types of mixed calcium carboxylate salts), activation energy was determined using three isoconversional methods that employed TGA curves at different heating rates. For all three salt types, activation energy varied significantly with conversion. The average activation energy for calcium acetate was 556.75 kJ mol −1 , and the activation energies for the two mixed calcium carboxylate salts were 232.87, and 176.55 kJ mol −1 . In addition, three functions of conversion were employed to see which one best modeled the experimental data. The Sestak–Berggren model provides the best universal fit for all three salt types. -- Highlights: •Calcium carboxylate salts from fermentation broth thermally decompose to ketones. •Activation energy varies with conversion for all three salt types. •Sestak–Berggren model provides best fit overall for all three salt types

  17. Kinetics study of thermal decomposition of sodium carboxylate salts

    International Nuclear Information System (INIS)

    Landoll, Michael P.; Holtzapple, Mark T.

    2012-01-01

    The MixAlco™ process ferments lignocellulosic biomass to carboxylate salts that are thermally decomposed into ketones, which are then chemically converted to a wide variety of chemicals and fuels. To perform these decompositions, suitable reaction models are necessary to properly design, scale, and optimize commercial reactors. For three salt types (sodium acetate, and two types of mixed sodium carboxylate salts), activation energy was determined using three isoconversional methods that employed TGA curves at different heating rates. For all three salt types, activation energy varied significantly with conversion. The average activation energy for sodium acetate was 226.65 kJ/mol, and the activation energies for the two mixed sodium carboxylate salts were 195.61, and 218.18 kJ/mol. In addition, three functions of conversion were employed to see which one best modeled the experimental data. The Sestak-Berggren model fits all three salt types best. -- Highlights: ► Sodium carboxylate salts from fermentation broth thermally decompose to ketones. ► Activation energy varies with conversion for all three salt types. ► Sestak-Berggren model provides best fit for all three salt types.

  18. Mechanism of thermal decomposition of K{sub 2}FeO{sub 4} and BaFeO{sub 4}: A review

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Virender K., E-mail: vsharma@sph.tamhsc.edu [Texas A& M University, Department of Environmental and Occupational Health, School of Public Health (United States); Machala, Libor [Palacky University, Regional Centre of Advanced Technologies and Materials, Departments of Experimental Physics and Physical Chemistry, Faculty of Science (Czech Republic)

    2016-12-15

    This paper presents thermal decomposition of potassium ferrate(VI) (K{sub 2}FeO{sub 4}) and barium ferrate(VI) (BaFeO{sub 4}) in air and nitrogen atmosphere. Mössbauer spectroscopy and nuclear forward scattering (NFS) synchrotron radiation approaches are reviewed to advance understanding of electron-transfer processes involved in reduction of ferrate(VI) to Fe(III) phases. Direct evidences of Fe {sup V} and Fe {sup IV} as intermediate iron species using the applied techniques are given. Thermal decomposition of K{sub 2}FeO{sub 4} involved Fe {sup V}, Fe {sup IV}, and K{sub 3}FeO{sub 3} as intermediate species while BaFeO{sub 3} (i.e. Fe {sup IV}) was the only intermediate species during the decomposition of BaFeO{sub 4}. Nature of ferrite species, formed as final Fe(III) species, of thermal decomposition of K{sub 2}FeO{sub 4} and BaFeO{sub 4} under different conditions are evaluated. Steps of the mechanisms of thermal decomposition of ferrate(VI), which reasonably explained experimental observations of applied approaches in conjunction with thermal and surface techniques, are summarized.

  19. Investigation of thermodynamic parameters in the thermal decomposition of plastic waste-waste lube oil compounds.

    Science.gov (United States)

    Kim, Yong Sang; Kim, Young Seok; Kim, Sung Hyun

    2010-07-01

    Thermal decomposition properties of plastic waste-waste lube oil compounds were investigated under nonisothermal conditions. Polyethylene (PE), polypropylene (PP), polystyrene (PS), and polyethylene terephthalate (PET) were selected as representative household plastic wastes. A plastic waste mixture (PWM) and waste lube oil (WLO) were mixed with mixing ratios of 33, 50, and 67 (w/w) % on a PWM weight basis, and thermogravimetric (TG) experiments were performed from 25 to 600 degrees C. The Flynn-Wall method and the Ozawa-Flynn-Wall method were used for analyses of thermodynamic parameters. In this study, activation energies of PWM/WLO compounds ranged from 73.4 to 229.6 kJ/mol between 0.2 and 0.8 of normalized mass conversions, and the 50% PWM/WLO compound had lower activation energies and enthalpies among the PWM/WLO samples at each mass conversion. At the point of maximum differential mass conversion, the analyzed activation energies, enthalpies, entropies, and Gibbs free energies indicated that mixing PWM and WLO has advantages in reducing energy to decrease the degree of disorder. However, no difference in overall energy that would require overcoming both thermal decomposition reactions and degree of disorder was observed among PWM/WLO compounds under these experimental conditions.

  20. Treatment of off-gas from lagoon sludge thermal decomposition

    International Nuclear Information System (INIS)

    Hwang, D. S.; Oh, J. H.; Choi, Y. D.; Hwang, S. T.; Park, J. H.; Ga, M. J.

    2005-01-01

    Korea Atomic Energy Research Institute (KAERI) has launched a decommissioning program of the uranium conversion plant in 2001. The treatment of the sludge waste, which was generated during the operation of the plant and stored in the lagoon, is one of the most important tasks in the decommissioning program of the plant. The major compounds of the lagoon sludge are ammonium nitrate, sodium nitrate, calcium nitrate, calcium carbonate, and uranium compounds. The minor compounds are iron, magnesium, aluminum, silicon and phosphorus. A treatment process of the sludge was developed as figure 1 based on the results of the sludge characteristics and the developed treatment technologies. A treatment of off-gas evolved from the nitrate salts thermal decomposition is one of the important process. Off-gas treatment by using a selective catalytic reduction (SCR) method was investigated in this study

  1. Programming Enhancements for Low Temperature Thermal Decomposition Workstation

    International Nuclear Information System (INIS)

    Igou, R.E.

    1998-01-01

    This report describes a new control-and-measurement system design for the Oak Ridge Y-12 Plant's Low Temperature Thermal Decomposition (LTTD) process. The new design addresses problems with system reliability stemming from equipment obsolescence and addresses specific functional improvements that plant production personnel have identified, as required. The new design will also support new measurement techniques, which the Y-12 Development Division has identified for future operations. The new techniques will function in concert with the original technique so that process data consistency is maintained

  2. CO2-laser decomposition method of carbonate for AMS 14C measurements

    International Nuclear Information System (INIS)

    Kitagawa, Hiroyuki

    2013-01-01

    A CO 2 laser decomposition method enabled the efficient preparation of carbonate samples for AMS 14 C measurement. Samples were loaded in a vacuum chamber and thermally decomposed using laser emission. CO 2 liberated from the carbonate was directly trapped in the cold finger trap of a small CO 2 reduction reactor and graphitized by a hydrogen gas reduction method using catalytic iron powder. The fraction modern values for 0.07–0.57 mg of carbon, obtained from 200 μm-diameter spots of IAEA-C1, varied with sample size in the range of 0.00072 ± 0.00003 to 0.00615 ± 0.00052. The contamination induced by the laser decomposition method and the following graphite handling was estimated to be 0.53 ± 0.21 μg of modern carbon, assuming a constant amount of extraneous carbon contamination. This method could also make it possible to avoid the time-consuming procedures of the conventional acid dissolution method that involves multiple complex steps for the preparation of carbonate samples.

  3. Quantitative structure—property relationship for thermal decomposition temperature of ionic liquids

    DEFF Research Database (Denmark)

    Gharagheizi, Farhad; Sattari, Mehdi; Ilani-Kashkouli, Poorandokht

    2012-01-01

    In this study, a wide literature survey has been conducted to gather an extensive set of thermal decomposition temperature (Td) data for ionic liquids (ILs). A data set consisting of Td data for 586 ILs was collated from 71 different literature sources. Using this data set, a reliable quantitativ...

  4. Synthesis, thermal decomposition and sensitivity study of CsDNBF

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Shaozong; Zhang, Tonglai; Yang, Li; Zhang, Jianguo; Sun, Yuanhua [State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081 (China)

    2007-02-15

    CsDNBF (cesium 7-hydroxy-4,6-dinitro-5,7-dihydrobenzofuroxanide) was synthesized from the sodium salt of DNBF and cesium nitrate. The thermal decomposition process has been investigated and the results show that the solid residues at 240 C are RCOOCs, CsNCO, RNO{sub 2} and CsNO{sub 3}. The sensitivity results demonstrate that CsDNBF has better properties than KDNBF, which has been widely used. (Abstract Copyright [2007], Wiley Periodicals, Inc.)

  5. Effect of composting on the thermal decomposition behavior and kinetic parameters of pig manure-derived solid waste.

    Science.gov (United States)

    Dhyani, Vaibhav; Kumar Awasthi, Mukesh; Wang, Quan; Kumar, Jitendra; Ren, Xiuna; Zhao, Junchao; Chen, Hongyu; Wang, Meijing; Bhaskar, Thallada; Zhang, Zengqiang

    2018-03-01

    In this work, the influence of composting on the thermal decomposition behavior and decomposition kinetics of pig manure-derived solid wastes was analyzed using thermogravimetry. Wheat straw, biochar, zeolite, and wood vinegar were added to pig manure during composting. The composting was done in the 130 L PVC reactors with 100 L effective volume for 50 days. The activation energy of pyrolysis of samples before and after composting was calculated using Friedman's method, while the pre-exponential factor was calculated using Kissinger's equation. It was observed that composting decreased the volatile content of all the samples. The additives when added together in pig manure lead to a reduction in the activation energy of decomposition, advocating the presence of simpler compounds in the compost material in comparison with the complex feedstock. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. Thermal decomposition and kinetic evaluation of decanted 2,4,6-trinitrotoluene (TNT) for reutilization as composite material

    Science.gov (United States)

    Ahmed, M. F.; Hussain, A.; Malik, A. Q.

    2016-08-01

    Use of energetic materials has long been considered for only military purposes. However, it is very recent that their practical applications in wide range of commercial fields such as mining, road building, under water blasting and rocket propulsion system have been considered. About 5mg of 2,4,6-trinitrotoluene (TNT) in serviceable (Svc) as well as unserviceable (Unsvc) form were used for their thermal decomposition and kinetic parameters investigation. Thermogravimetric/ differential thermal analysis (TG/DTA), X-ray diffraction (XRD) and Scanning electron microscope (SEM) were used to characterize two types of TNT. Arrhenius kinetic parameters like activation energy (E) and enthalpy (AH) of both TNT samples were determined using TG curves with the help of Horowitz and Metzger method. Simultaneously, thermal decomposition range was evaluated from DTA curves. Distinct diffraction peaks showing crystalline nature were obtained from XRD analysis. SEM results indicated that Unsvc TNT contained a variety of defects like cracks and porosity. Similarly, it is observed that thermal as well as kinetic behavior of both TNT samples vary to a great extent. Likewise, a prominent change in the activation energies (E) of both samples is observed. This in-depth study provides a way forward in finding solutions for the safe reutilization of decanted TNT.

  7. Thermal decomposition and spectroscopic investigation of a new aqueous glycolato(-peroxo) Ti(IV) solution-gel precursor

    International Nuclear Information System (INIS)

    De Dobbelaere, Christopher; Mullens, Jules; Hardy, An; Van Bael, Marlies K.

    2011-01-01

    Highlights: → A totally water based glycolato-Ti(IV) precursor is presented and characterized. → The precursors' thermal decomposition profile depends on the ligand to metal ratio. → Titanium is coordinated in an unidentate fashion by the glycolate anion. → Smooth and uniform TiO 2 films can be prepared from the precursor solution. - Abstract: A new aqueous solution-gel precursor based on water soluble glycolato(-peroxo)-Ti(IV) complexes is developed for the preparation of TiO 2 films. With regard to the decomposition of complexes towards oxide formation, it is important to gain insight in the chemical transformations inside the precursor during thermal treatment. Therefore, the thermo-oxidative decomposition pathway of a gel obtained by slow evaporation of the precursor solution is described based on hyphenated thermogravimetric analysis with Fourier transform infrared spectroscopy (TGA-FTIR) and mass spectrometry (TGA-MS). Pure glycolic acid is used as a reference system for this study. By varying the molar glycolic acid to Ti(IV) ratio, the thermal decomposition of the gel can be drastically shortened and the profile's course changed. Gel structure and chemical changes in the gel upon heating are also studied by means of off-line FTIR. A unidentate coordination of the titanium(IV) ion by the carboxylate group of the glycolato ligands and the involvement of the hydroxyl group is confirmed. Phase formation at certain points in the thermal decomposition is studied by X-ray diffraction and Raman spectroscopy. Finally, it is proven that the new precursor is a valuable candidate for the deposition of low carbon containing solution-gel films which can ultimately be converted into smooth and uniform TiO 2 films.

  8. Thermal Plasma Decomposition Of Nickel And Cobalt Compounds

    Directory of Open Access Journals (Sweden)

    Woch M.

    2015-06-01

    Full Text Available The paper presents the study on manufacturing of nickel and cobalt powders by thermal plasma decomposition of the carbonates of these metals. It was shown the dependence of process parameters and grain size of initial powder on the composition of final product which was ether metal powder, collected in the container as well as the nanopowder with crystallite size of 70 - 90 nm, collected on the inner wall of the reaction chamber. The occurrence of metal oxides in the final products was confirmed and discussed.

  9. Programming Enhancements for Low Temperature Thermal Decomposition Workstation

    Energy Technology Data Exchange (ETDEWEB)

    Igou, R.E.

    1998-10-01

    This report describes a new control-and-measurement system design for the Oak Ridge Y-12 Plant's Low Temperature Thermal Decomposition (LTTD) process. The new design addresses problems with system reliability stemming from equipment obsolescence and addresses specific functional improvements that plant production personnel have identified, as required. The new design will also support new measurement techniques, which the Y-12 Development Division has identified for future operations. The new techniques will function in concert with the original technique so that process data consistency is maintained.

  10. Application of decomposition method and inverse prediction of parameters in a moving fin

    International Nuclear Information System (INIS)

    Singla, Rohit K.; Das, Ranjan

    2014-01-01

    Highlights: • Adomian decomposition is used to study a moving fin. • Effects of different parameters on the temperature and efficiency are studied. • Binary-coded GA is used to solve an inverse problem. • Sensitivity analyses of important parameters are carried out. • Measurement error up to 8% is found to be tolerable. - Abstract: The application of the Adomian decomposition method (ADM) is extended to study a conductive–convective and radiating moving fin having variable thermal conductivity. Next, through an inverse approach, ADM in conjunction with a binary-coded genetic algorithm (GA) is also applied for estimation of unknown properties in order to satisfy a given temperature distribution. ADM being one of the widely-used numerical methods for solving non-linear equations, the required temperature field has been obtained using a forward method involving ADM. In the forward problem, the temperature field and efficiency are investigated for various parameters such as convection–conduction parameter, radiation–conduction parameter, Peclet number, convection sink temperature, radiation sink temperature, and dimensionless thermal conductivity. Additionally, in the inverse problem, the effect of random measurement errors, iterative variation of parameters, sensitivity coefficients of unknown parameters are investigated. The performance of GA is compared with few other optimization methods as well as with different temperature measurement points. It is found from the present study that the results obtained from ADM are in good agreement with the results of the differential transformation method available in the literature. It is also observed that for satisfactory reconstruction of the temperature field, the measurement error should be within 8% and the temperature field is strongly dependent on the speed than thermal parameters of the moving fin

  11. Thermal stability and kinetics of decomposition of ammonium nitrate in the presence of pyrite

    International Nuclear Information System (INIS)

    Gunawan, Richard; Zhang Dongke

    2009-01-01

    The interaction between ammonium nitrate based industrial explosives and pyrite-rich minerals in mining operations can lead to the occurrence of spontaneous explosion of the explosives. In an effort to provide a scientific basis for safe applications of industrial explosives in reactive mining grounds containing pyrite, ammonium nitrate decomposition, with and without the presence of pyrite, was studied using a simultaneous Differential Scanning Calorimetry and Thermogravimetric Analyser (DSC-TGA) and a gas-sealed isothermal reactor, respectively. The activation energy and the pre-exponential factor of ammonium nitrate decomposition were determined to be 102.6 kJ mol -1 and 4.55 x 10 7 s -1 without the presence of pyrite and 101.8 kJ mol -1 and 2.57 x 10 9 s -1 with the presence of pyrite. The kinetics of ammonium nitrate decomposition was then used to calculate the critical temperatures for ammonium nitrate decomposition with and without the presence of pyrite, based on the Frank-Kamenetskii model of thermal explosion. It was shown that the presence of pyrite reduces the temperature for, and accelerates the rate of, decomposition of ammonium nitrate. It was further shown that pyrite can significantly reduce the critical temperature of ammonium nitrate decomposition, causing undesired premature detonation of the explosives. The critical temperature also decreases with increasing diameter of the blast holes charged with the explosive. The concept of using the critical temperature as indication of the thermal stability of the explosives to evaluate the risk of spontaneous explosion was verified in the gas-sealed isothermal reactor experiments.

  12. Thermal stability and kinetics of decomposition of ammonium nitrate in the presence of pyrite.

    Science.gov (United States)

    Gunawan, Richard; Zhang, Dongke

    2009-06-15

    The interaction between ammonium nitrate based industrial explosives and pyrite-rich minerals in mining operations can lead to the occurrence of spontaneous explosion of the explosives. In an effort to provide a scientific basis for safe applications of industrial explosives in reactive mining grounds containing pyrite, ammonium nitrate decomposition, with and without the presence of pyrite, was studied using a simultaneous Differential Scanning Calorimetry and Thermogravimetric Analyser (DSC-TGA) and a gas-sealed isothermal reactor, respectively. The activation energy and the pre-exponential factor of ammonium nitrate decomposition were determined to be 102.6 kJ mol(-1) and 4.55 x 10(7)s(-1) without the presence of pyrite and 101.8 kJ mol(-1) and 2.57 x 10(9)s(-1) with the presence of pyrite. The kinetics of ammonium nitrate decomposition was then used to calculate the critical temperatures for ammonium nitrate decomposition with and without the presence of pyrite, based on the Frank-Kamenetskii model of thermal explosion. It was shown that the presence of pyrite reduces the temperature for, and accelerates the rate of, decomposition of ammonium nitrate. It was further shown that pyrite can significantly reduce the critical temperature of ammonium nitrate decomposition, causing undesired premature detonation of the explosives. The critical temperature also decreases with increasing diameter of the blast holes charged with the explosive. The concept of using the critical temperature as indication of the thermal stability of the explosives to evaluate the risk of spontaneous explosion was verified in the gas-sealed isothermal reactor experiments.

  13. Thermal Decomposition Properties of Materials from Different Parts of Corn Stalk

    Directory of Open Access Journals (Sweden)

    Siwei Huang

    2015-02-01

    Full Text Available To help better utilize corn stalk (CS, pyrolysis behavior of materials from different parts of the CS including corn stalk without pith, corn root, and corn leaf were analyzed using thermogravimetric analysis (TGA at heating rates of 5, 10, 20, and 25 °C/min. The apparent activation energies determined by the Friedman method for corn stalk without pith, corn root, and corn leaf were in the range of 26.4 to 103.6 kJ/mol, 37.6 to 69.5 kJ/mol, and 35.0 to 103.9 kJ/mol, respectively, depending on the conversion. The main thermal decomposition occurred within a temperature range of 200 to 350 °C (±10 °C. Most of the volatile materials decomposed at less than a 0.8 conversion rate. At greater than a 0.8 conversion rate, the remaining material was mainly char, and the decomposition of char proceeded at higher conversion rates. Different pyrolysis characteristics in the CS indicated that different treatments should be chosen according to different parts for achieving the optimum conversion rate in practical applications.

  14. In situ synthesis and characterization of GaN nanorods through thermal decomposition of pre-grown GaN films

    International Nuclear Information System (INIS)

    Yan, P; Qin, D; An, Y K; Li, G Z; Xing, J; Liu, J J

    2008-01-01

    Herein we describe a thermal treatment route to synthesize gallium nitride (GaN) nanorods. In this method, GaN nanorods were synthesized by thermal treatment of GaN films at a temperature of 800 deg. C. The morphology and structure of GaN nanorods were characterized by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The results show that GaN nanorods have a hexagonal wurtzite structure with diameters ranging from 30 to 50 nm. Additionally, GaN nanoplates are also founded in the products. The growth process of GaN nanostructures was investigated and a thermal decomposition mechanism was proposed. Our method provides a cost-effective route to fabricate GaN nanorods, which will benefit the fabrication of one-dimensional nanomaterials and device applications

  15. 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).

  16. Photocatalytical Properties and Theoretical Analysis of N, Cd-Codoped TiO2 Synthesized by Thermal Decomposition Method

    Directory of Open Access Journals (Sweden)

    Hongtao Gao

    2012-01-01

    Full Text Available N, Cd-codoped TiO2 have been synthesized by thermal decomposition method. The products were characterized by X-ray diffraction (XRD, scanning electron microscope (SEM, UV-visible diffuse reflectance spectra (DRS, X-ray photoelectron spectroscopy (XPS, and Brunauer-Emmett-Teller (BET specific surface area analysis, respectively. The products represented good performance in photocatalytic degradation of methyl orange. The effect of the incorporation of N and Cd on electronic structure and optical properties of TiO2 was studied by first-principle calculations on the basis of density functional theory (DFT. The impurity states, introduced by N 2p or Cd 5d, lied between the valence band and the conduction band. Due to dopants, the band gap of N, Cd-codoped TiO2 became narrow. The electronic transition from the valence band to conduction band became easy, which could account for the observed photocatalytic performance of N, Cd-codoped TiO2. The theoretical analysis might provide a probable reference for the experimentally element-doped TiO2 synthesis.

  17. 22nd International Conference on Domain Decomposition Methods

    CERN Document Server

    Gander, Martin; Halpern, Laurence; Krause, Rolf; Pavarino, Luca

    2016-01-01

    These are the proceedings of the 22nd International Conference on Domain Decomposition Methods, which was held in Lugano, Switzerland. With 172 participants from over 24 countries, this conference continued a long-standing tradition of internationally oriented meetings on Domain Decomposition Methods. The book features a well-balanced mix of established and new topics, such as the manifold theory of Schwarz Methods, Isogeometric Analysis, Discontinuous Galerkin Methods, exploitation of modern HPC architectures, and industrial applications. As the conference program reflects, the growing capabilities in terms of theory and available hardware allow increasingly complex non-linear and multi-physics simulations, confirming the tremendous potential and flexibility of the domain decomposition concept.

  18. Effect of Nano-Magnesium Hydride on the Thermal Decomposition Behaviors of RDX

    International Nuclear Information System (INIS)

    Yao, M.; Chen, L.; Rao, G.; Peng, J.; Zou, J.; Zeng, X.

    2013-01-01

    In order to improve the detonation performance of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) explosive, addictive with high heat values were used, and magnesium hydride (MgH 2 ) is one of the candidates. However, it is important to see whether MgH 2 is a safe addictive. In this paper, the thermal and kinetic properties of RDX and mixture of RDX/MgH 2 were investigated by differential scanning calorimeter (DSC) and accelerating rate calorimeter (ARC), respectively. The apparent activation energy (E) and frequency factor (A) of thermal explosion were calculated based on the data of DSC experiments using the Kissinger and Ozawa approaches. The results show that the addition of MgH 2 decreases both E and A of RDX, which means that the mixture of RDX/MgH 2 has a lower thermal stability than RDX, and the calculation results obtained from the ARC experiments data support this too. Besides, the most probable mechanism functions about the decomposition of RDX and RDX/MgH 2 were given in this paper which confirmed the change of the decomposition mechanism.

  19. Thermal decomposition and spectroscopic investigation of a new aqueous glycolato(-peroxo) Ti(IV) solution-gel precursor

    Energy Technology Data Exchange (ETDEWEB)

    De Dobbelaere, Christopher, E-mail: christopher.dedobbelaere@uhasselt.be [Hasselt University, Institute for Materials Research, Inorganic and Physical Chemistry, Agoralaan Building D, B-3590 Diepenbeek (Belgium); Mullens, Jules, E-mail: jules.mullens@uhasselt.be [Hasselt University, Institute for Materials Research, Inorganic and Physical Chemistry, Agoralaan Building D, B-3590 Diepenbeek (Belgium); Hardy, An, E-mail: an.hardy@uhasselt.be [Hasselt University, Institute for Materials Research, Inorganic and Physical Chemistry, Agoralaan Building D, B-3590 Diepenbeek (Belgium); IMEC vzw, Division IMOMEC, Agoralaan Building D, B-3590 Diepenbeek (Belgium); Van Bael, Marlies K., E-mail: marlies.vanbael@uhasselt.be [Hasselt University, Institute for Materials Research, Inorganic and Physical Chemistry, Agoralaan Building D, B-3590 Diepenbeek (Belgium); IMEC vzw, Division IMOMEC, Agoralaan Building D, B-3590 Diepenbeek (Belgium)

    2011-06-10

    Highlights: {yields} A totally water based glycolato-Ti(IV) precursor is presented and characterized. {yields} The precursors' thermal decomposition profile depends on the ligand to metal ratio. {yields} Titanium is coordinated in an unidentate fashion by the glycolate anion. {yields} Smooth and uniform TiO{sub 2} films can be prepared from the precursor solution. - Abstract: A new aqueous solution-gel precursor based on water soluble glycolato(-peroxo)-Ti(IV) complexes is developed for the preparation of TiO{sub 2} films. With regard to the decomposition of complexes towards oxide formation, it is important to gain insight in the chemical transformations inside the precursor during thermal treatment. Therefore, the thermo-oxidative decomposition pathway of a gel obtained by slow evaporation of the precursor solution is described based on hyphenated thermogravimetric analysis with Fourier transform infrared spectroscopy (TGA-FTIR) and mass spectrometry (TGA-MS). Pure glycolic acid is used as a reference system for this study. By varying the molar glycolic acid to Ti(IV) ratio, the thermal decomposition of the gel can be drastically shortened and the profile's course changed. Gel structure and chemical changes in the gel upon heating are also studied by means of off-line FTIR. A unidentate coordination of the titanium(IV) ion by the carboxylate group of the glycolato ligands and the involvement of the hydroxyl group is confirmed. Phase formation at certain points in the thermal decomposition is studied by X-ray diffraction and Raman spectroscopy. Finally, it is proven that the new precursor is a valuable candidate for the deposition of low carbon containing solution-gel films which can ultimately be converted into smooth and uniform TiO{sub 2} films.

  20. A novel thermal decomposition approach for the synthesis of silica-iron oxide core–shell nanoparticles

    International Nuclear Information System (INIS)

    Kishore, P.N.R.; Jeevanandam, P.

    2012-01-01

    Highlights: ► Silica-iron oxide core–shell nanoparticles have been synthesized by a novel thermal decomposition approach. ► The silica-iron oxide core–shell nanoparticles are superparamagnetic at room temperature. ► The silica-iron oxide core–shell nanoparticles serve as good photocatalyst for the degradation of Rhodamine B. - Abstract: A simple thermal decomposition approach for the synthesis of magnetic nanoparticles consisting of silica as core and iron oxide nanoparticles as shell has been reported. The iron oxide nanoparticles were deposited on the silica spheres (mean diameter = 244 ± 13 nm) by the thermal decomposition of iron (III) acetylacetonate, in diphenyl ether, in the presence of SiO 2 . The core–shell nanoparticles were characterized by X-ray diffraction, infrared spectroscopy, field emission-scanning electron microscopy coupled with energy dispersive X-ray analysis, transmission electron microscopy, diffuse reflectance spectroscopy, and magnetic measurements. The results confirm the presence of iron oxide nanoparticles on the silica core. The core–shell nanoparticles are superparamagnetic at room temperature indicating the presence of iron oxide nanoparticles on silica. The core–shell nanoparticles have been demonstrated as good photocatalyst for the degradation of Rhodamine B.

  1. Nitrated graphene oxide and its catalytic activity in thermal decomposition of ammonium perchlorate

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Wenwen; Luo, Qingping; Duan, Xiaohui [State Key Laboratory Cultivation Base for Nonmetal Composites and Functional Materials, Southwest University of Science and Technology, Mianyang 621010 (China); Zhou, Yong [Eco-materials and Renewable Energy Research Center (ERERC), School of Physics, National Lab of Solid State Microstructure, ERERC, Nanjing University, Nanjing 210093 (China); Pei, Chonghua, E-mail: peichonghua@swust.edu.cn [State Key Laboratory Cultivation Base for Nonmetal Composites and Functional Materials, Southwest University of Science and Technology, Mianyang 621010 (China)

    2014-02-01

    Highlights: • The NGO was synthesized by nitrifying homemade GO. • The N content of resulted NGO is up to 1.45 wt.%. • The NGO can facilitate the decomposition of AP and release much heat. - Abstract: Nitrated graphene oxide (NGO) was synthesized by nitrifying homemade GO with nitro-sulfuric acid. Fourier transform infrared spectroscopy (FTIR), laser Raman spectroscopy, CP/MAS {sup 13}C NMR spectra and X-ray photoelectron spectroscopy (XPS) were used to characterize the structure of NGO. The thickness and the compositions of GO and NGO were analyzed by atomic force microscopy (AFM) and elemental analysis (EA), respectively. The catalytic effect of the NGO for the thermal decomposition of ammonium perchlorate (AP) was investigated by differential scanning calorimetry (DSC). Adding 10% of NGO to AP decreases the decomposition temperature by 106 °C and increases the apparent decomposition heat from 875 to 3236 J/g.

  2. Nitrated graphene oxide and its catalytic activity in thermal decomposition of ammonium perchlorate

    International Nuclear Information System (INIS)

    Zhang, Wenwen; Luo, Qingping; Duan, Xiaohui; Zhou, Yong; Pei, Chonghua

    2014-01-01

    Highlights: • The NGO was synthesized by nitrifying homemade GO. • The N content of resulted NGO is up to 1.45 wt.%. • The NGO can facilitate the decomposition of AP and release much heat. - Abstract: Nitrated graphene oxide (NGO) was synthesized by nitrifying homemade GO with nitro-sulfuric acid. Fourier transform infrared spectroscopy (FTIR), laser Raman spectroscopy, CP/MAS 13 C NMR spectra and X-ray photoelectron spectroscopy (XPS) were used to characterize the structure of NGO. The thickness and the compositions of GO and NGO were analyzed by atomic force microscopy (AFM) and elemental analysis (EA), respectively. The catalytic effect of the NGO for the thermal decomposition of ammonium perchlorate (AP) was investigated by differential scanning calorimetry (DSC). Adding 10% of NGO to AP decreases the decomposition temperature by 106 °C and increases the apparent decomposition heat from 875 to 3236 J/g

  3. Thermal decomposition of nitrate salts liquid waste for the lagoon sludge treatment

    International Nuclear Information System (INIS)

    Hwang, D. S.; Oh, J. H.; Kim, Y. K.; Lee, K. Y.; Choi, Y. D.; Hwang, S. T.; Park, J. H.

    2004-01-01

    This study investigated the thermal decomposition property of nitrate salts liquid waste which is produced in a series of the processes for the sludge treatment. Thermal decomposition property was analyzed by TG/DTA and XRD. Most ammonium nitrate in the nitrate salts liquid waste was decomposed at 250 .deg. C and calcium nitrate was decomposed and converted into calcium oxide at 550 .deg. C. Sodium nitrate was decomposed at 700 .deg. C and converted into sodium oxide which reacts with water easily. But sodium oxide was able to convert into a stable compound by adding alumina. Therefore, nitrate salts liquid waste can be treated by two steps as follows. First, ammonium nitrate is decomposed at 250 .deg. C. Second, alumina is added in residual solid sodium nitrate and calcium nitrate and these are decomposed at 900 .deg. C. Final residue consists of calcium oxide and Na 2 O.Al 2 O 3 and can be stored stably

  4. Study on the characterization and thermal decomposition of uranium compounds by thermogravimetry (TG) and differential scanning calorimetry (DSC)

    International Nuclear Information System (INIS)

    Dantas, J.M.; Abrao, A.

    1981-04-01

    A contribution to the characterization of several uranium compounds obtained at the IPEN' Uranium Pilot Plant is given. Particularly, samples of ammonium diuranate (ADU) and uranium oxides were studied. The main objective was to know the stoichiometry of the ADU and the oxides resulting from its thermal transformation. ADU samples were prepared by batchwise precipitation, stationary dewatering into stove and batchwise thermal decomposition, or, alternatively, continuous precipitation, continuous filtration, continuous drying and continuous thermal decomposition inside a temperature gradient electrical furnace. All ADU were precipitated using NH 3 gas from uranul sulfate or uranyl nitrate solutions. The thermal decomposition of ADU and uranium oxides were studied in an air atmosphere by thermogravimetry (TG) and differential scanning calorimetry (DSC). Any correlation between the parameters of precipitation, drying, calcination and the hystory of the obtaintion of the several uraniumm compounds and their initial and final composition was looked for. Heating program was established to have the U 3 O 8 oxide as the final product. Intermediary phases were tentatively identified. Temperatures at which occurred the absorption water elimination, crystallization water elimination, evolution or oxidation of NH 3 , decomposition of NO -3 ion and oxygen evolution and the exo- and endothermic process for each sample were identified. (Author) [pt

  5. Thermal decomposition kinetics of sorghum straw via thermogravimetric analysis.

    Science.gov (United States)

    Dhyani, Vaibhav; Kumar, Jitendra; Bhaskar, Thallada

    2017-12-01

    The thermal decomposition of sorghum straw was investigated by non-isothermal thermogravimetric analysis, where the determination of kinetic triplet (activation energy, pre-exponential factor, and reaction model), was the key objective. The activation energy was determined using different isoconversional methods: Friedman, Flynn-Wall-Ozawa (FWO), Kissinger-Akahira-Sunose (KAS), Starink, Iterative method of Chai & Chen, Vyazovkin AIC method, and Li & Tang equation. The pre-exponential factor was calculated using Kissinger's equation; while the reaction model was predicted by comparison of z-master plot obtained from experimental values with the theoretical plots. The values of activation energy obtained from isoconversional methods were further used for evaluation of thermodynamic parameters, enthalpy, entropy and Gibbs free energy. Results showed three zones of pyrolysis having average activation energy values of 151.21kJ/mol, 116.15kJ/mol, and 136.65kJ/mol respectively. The data was well fitting with two-dimension 'Valensi' model for conversion values from 0 to 0.4 with a coefficient of determination (R 2 ) value of 0.988, and with third order reaction model for values from 0.4 to 0.9 with an R 2 value of 0.843. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. Thermal decomposition and X-ray diffraction of sulphate efflorescent minerals from El Jaroso Ravine, Sierra Almagrera, Spain

    International Nuclear Information System (INIS)

    Frost, Ray L.; Wain, Daria; Martens, Wayde N.; Locke, Ashley C.; Martinez-Frias, Jesus; Rull, Fernando

    2007-01-01

    Two evaporite minerals from the El Jaroso Ravine, Spain have been analysed by thermogravimetry coupled with an evolved gas mass spectrometer. X-ray diffraction results proved the evaporite minerals were a mixture of sulphates including the minerals magnesiocopiapite, coquimbite and possibly alunogen. Thermal decomposition of the unoxidised samples showed steps at 52, 99 and 143 deg. C confirmed by mass spectrometric results and attributed to adsorbed water, interstitial water and chemically bonded water. This evaporite mineral rock showed two higher temperature decomposition steps at 555 and 599 deg. C with mass losses of 19.6 and 7.8%. Slightly different temperatures for the thermal decomposition of the oxadada sample were observed at 52, 64.5 and 100 deg. C. Two higher temperature mass loss steps at 560.5 and 651 deg. C were observed for the oxidised sample. By comparison of the thermal analysis patterns of halotrichite and jarosite it can be shown that the El Jaroso samples are mineral sulphates and not halotrichite or jarosite

  7. Thermal decomposition and X-ray diffraction of sulphate efflorescent minerals from El Jaroso Ravine, Sierra Almagrera, Spain

    Energy Technology Data Exchange (ETDEWEB)

    Frost, Ray L. [Inorganic Materials Research Program, School of Physical and Chemical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001 (Australia)]. E-mail: r.frost@qut.edu.au; Wain, Daria [Inorganic Materials Research Program, School of Physical and Chemical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001 (Australia); Martens, Wayde N. [Inorganic Materials Research Program, School of Physical and Chemical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001 (Australia); Locke, Ashley C. [Inorganic Materials Research Program, School of Physical and Chemical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001 (Australia); Martinez-Frias, Jesus [Inorganic Materials Research Program, School of Physical and Chemical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001 (Australia); Cristalografia y Mineralogia, Unidad Asociada al Centro de Astrobiologia INTA-CSIC, Universidad de Valladolid, 47006 Valladolid (Spain); Rull, Fernando [Inorganic Materials Research Program, School of Physical and Chemical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001 (Australia); Cristalografia y Mineralogia, Unidad Asociada al Centro de Astrobiologia INTA-CSIC, Universidad de Valladolid, 47006 Valladolid (Spain)

    2007-08-25

    Two evaporite minerals from the El Jaroso Ravine, Spain have been analysed by thermogravimetry coupled with an evolved gas mass spectrometer. X-ray diffraction results proved the evaporite minerals were a mixture of sulphates including the minerals magnesiocopiapite, coquimbite and possibly alunogen. Thermal decomposition of the unoxidised samples showed steps at 52, 99 and 143 deg. C confirmed by mass spectrometric results and attributed to adsorbed water, interstitial water and chemically bonded water. This evaporite mineral rock showed two higher temperature decomposition steps at 555 and 599 deg. C with mass losses of 19.6 and 7.8%. Slightly different temperatures for the thermal decomposition of the oxadada sample were observed at 52, 64.5 and 100 deg. C. Two higher temperature mass loss steps at 560.5 and 651 deg. C were observed for the oxidised sample. By comparison of the thermal analysis patterns of halotrichite and jarosite it can be shown that the El Jaroso samples are mineral sulphates and not halotrichite or jarosite.

  8. In-situ EXAFS study on the thermal decomposition of TiH2

    International Nuclear Information System (INIS)

    Zhou Yingli; Wu Min; An Pengfei; Zheng Lirong; Chu Shengqi; Zhang Jing; Hu Tiandou

    2014-01-01

    Thermal decomposition behaviors of TiH 2 powder under a flowing helium atmosphere and in a low vacuum condition have been studied using an in situ EXAFS technique. By an EXAFS analysis containing the multiple scattering paths including H atoms, the changes of the hydrogen stoichiometric ratio and the phase transformation sequence are obtained. The results demonstrate that the initial decomposition temperature is dependent on experimental conditions, which occurs, respectively, at about 300 and 400 °C in a low vacuum condition and under a flowing helium atmosphere. During the decomposition process of TiH 2 in a low vacuum condition, the sample experiences a phase change process: δ(TiH 2 ) → δ (TiH x ) → δ(TiH x )+ β(TiH x ) → δ(TiH x )+ β(TiH x ) + α(Ti) → β(TiH x ) + α(Ti) → α(Ti) + β(Ti). This study offers a way to detect the structural information of hydrogen. A detailed discussion about the decomposition process of TiH 2 is given in this paper. (authors)

  9. Analysis of Siderite Thermal Decomposition by Differential Scanning Calorimetry

    Science.gov (United States)

    Bell, M. S.; Lin, I.-C.; McKay, D. S.

    2000-01-01

    Characterization of carbonate devolitilization has important implications for atmospheric interactions and climatic effects related to large meteorite impacts in platform sediments. On a smaller scale, meteorites contain carbonates which have witnessed shock metamorphic events and may record pressure/temperature histories of impact(s). ALH84001 meteorite contains zoned Ca-Mg-Fe-carbonates which formed on Mars. Magnetite crystals are found in the rims and cores of these carbonates and some are associated with void spaces leading to the suggestion by Brearley et al. that the crystals were produced by thermal decomposition of the carbonate at high temperature, possibly by incipient shock melting or devolitilization. Golden et al. recently synthesized spherical Mg-Fe-Ca-carbonates from solution under mild hydrothermal conditions that have similar carbonate compositional zoning to those of ALH84001. They have shown experimental evidence that the carbonate-sulfide-magnetite assemblage in ALH84001 can result from a multistep inorganic process involving heating possibly due to shock events. Experimental shock studies on calcium carbonate prove its stability to approx. 60 GPa, well in excess of the approx. 45 GPa peak pressures indicated by other shock features in ALH84001. In addition, Raman spectroscopy of carbonate globules in ALH84001 indicates no presence of CaO and MgO. Such oxide phases should be found associated with the magnetites in voids if these magnetites are high temperature shock products, the voids resulting from devolitilization of CO2 from calcium or magnesium carbonate. However, if the starting material was siderite (FeCO3), thermal breakdown of the ALH84001 carbonate at 470 C would produce iron oxide + CO2. As no documentation of shock effects in siderite exists, we have begun shock experiments to determine whether or not magnetite is produced by the decomposition of siderite within the < 45GPa pressure window and by the resultant thermal pulse to approx

  10. Thermal decomposition of foundry resins: A determination of organic products by thermogravimetry–gas chromatography–mass spectrometry (TG–GC–MS

    Directory of Open Access Journals (Sweden)

    A. Kmita

    2018-03-01

    Full Text Available The article presents the results of research on thermal decomposition of Ester-Cured Alkaline Phenolic No-Bake (ALPHASET binders used in molding technology. In the ALPHASET system phenol-formaldehyde resin of resole type is cured with a liquid mixture of esters. Under the influence of the molten metal the thermal decomposition of the binder follows, resulting in the evolution of gases, often harmful, e.g. from benzene, toluene, ethylbenzene and xylenes (BTEX or Polycyclic Aromatic Hydrocarbon (PAH groups. The identification of gases evolved during the pyrolysis of the binders was carried out and their decomposition temperatures were determined using the Thermogravimetry–Gas Chromatography–Mass Spectrometry (TG–GC–MS technique. The tests were subjected to two types of binders from different manufacturers. Among the products of pyrolysis there have been identified mainly benzene and its derivatives, and phenol and its derivatives. Compounds identified in pyrolytic gas are largely considered to be harmful to humans and the environment (some of the compounds are carcinogenic and mutagenic. The presented results of the TG–GC–MS measurements show that the applied analytic methods are feasible to perform a qualitative and also quantitative characterization of the binder samples.

  11. Kinetics of thermal decomposition of ammonium perchlorate with nanocrystals of binary transition metal ferrites

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Gurdip; Kapoor, Inder Pal Singh; Dubey, Shalini [Department of Chemistry, D. D. U. Gorakhpur University, Gorakhpur (India); Siril, Prem Felix [Laboratoire de Chimie Physique (LCP), Universite de Paris Sud, Orsay (France)

    2009-02-15

    Binary transition metal ferrite (BTMF) nanocrystals of formula MFe{sub 2}O{sub 4}(M=Cu,Co,Ni) were prepared by the coprecipitation method and characterized by X-ray diffraction (XRD). XRD patterns gave average particle size by using Scherrer's equation for CuFe{sub 2}O{sub 4}(CuF), CoFe{sub 2}O{sub 4}(CoF), and NiFe{sub 2}O{sub 4} (NiF) as 39.9, 27.3, and 43.8 nm, respectively. The catalytic activity measurements on the thermal decomposition of ammonium perchlorate (AP) were carried out by using thermogravimetry (TG), differential thermal analysis (DTA), and ignition delay studies. Isothermal TG data up to a mass loss of 45% have been used to evaluate kinetic parameters by using model fitting as well as isoconversional method. The order of catalytic activity was found to be: CoFe{sub 2}O{sub 4}>NiFe{sub 2}O{sub 4}. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

  12. Mechanistic Aspects of the Thermal Decomposition of Dicyclopentadienyltitanium(IV)diaryl Compounds

    NARCIS (Netherlands)

    Boekel, C.P.; Teuben, J.H.; Liefde Meijer, H.J. de

    1975-01-01

    The thermal decomposition of a number of compounds Cp2TiR2 (R = aryl) was studied in the solid state and in various solvents. A first-order reaction was observed and activation energies of 20-30 kcal mol-1 were found depending on the nature of R. The activation energy for Cp2Ti(C6H5)2 (20-22 kcal

  13. Thermal decomposition behaviors of magnesium borohydride doped with metal fluoride additives

    International Nuclear Information System (INIS)

    Zhang, Z.G.; Wang, H.; Liu, J.W.; Zhu, M.

    2013-01-01

    Highlights: • The decomposition proceeded through several distinct steps. • The mixed materials show a dramatically low initial hydrogen release temperature. • The additives react with the Mg–B–H compounds rather than acting as catalysts. • The reaction process was studied using an in situ TEM. - Abstract: The thermal decomposition behaviors of Magnesium borohydride [Mg(BH 4 ) 2 ] and metal fluoride doped mixtures were studied by temperature programmed desorption measurement/mass spectrometry (TPD/MS), differential scanning calorimetry (DSC) and in situ transmission electron microscope (TEM) observations. The decomposition and release of hydrogen proceeded through several distinct steps, including two polymorphic transitions, ionic Mg(BH 4 ) 2 melting with solid Mg–B–H amorphous phase formation and Mg–B–H decomposition. The addition of additives such as CaF 2 , ZnF 2 and TiF 3 resulted in a decrease in the hydrogen release temperature. ZnF 2 and TiF 3 reduced the initial hydrogen release temperature to ca. 50 °C. However, hydrogen release during the transformation from γ-Mg(BH 4 ) 2 to the amorphous Mg–B–H compounds at ca. 300 °C was only 4.5 wt.% in contrast to 9.8 wt.% for the direct decomposition of pure Mg(BH 4 ) 2 . TEM observations confirmed that ZnF 2 and TiF 3 reacted with amorphous Mg–B–H compounds rather than acting as catalysts

  14. Estudo da decomposição térmica de propelente sólido compósito de baixa emissão de fumaça Study of thermal decomposition of a smokelles propellant

    Directory of Open Access Journals (Sweden)

    Jony Andrade

    2008-01-01

    Full Text Available The thermal decomposition of hydroxyl-terminated polybutadiene (HTPB/ammonium nitrate (AN based propellants, so called smokeless formulations, and raw materials were investigated by differential scanning calorimetry (DSC and thermogravimetry (TG. The thermoanalytical profile of different components and of propellant were evaluated and the Arrhenius parameters for the thermal decomposition of the propellant sample were determined by the Ozawa method. The kinetic parameters of the thermal decomposition of propellant samples were determined by DSC measurements. The values obtained for activation energy (Ea and pre-exponential factor were 163 kJ mol-1 and 1.94x10(6 min-1.

  15. Synthesis of In2O3nanoparticles by thermal decomposition of a citrate gel precursor

    International Nuclear Information System (INIS)

    Rey, J. F. Q.; Plivelic, T. S.; Rocha, R. A.; Tadokoro, S. K.; Torriani, I.; Muccillo, E. N. S.

    2005-01-01

    This paper describes the synthesis of indium oxide by a modified sol-gel method, and the study of thermal decomposition of the metal complex in air. The characterization of the intermediate as well as the final compounds was carried out by thermogravimetry, differential thermal analysis, Fourier transform infrared spectroscopy, X-ray diffraction, transmission electron microscopy, and small angle X-ray scattering. The results show that the indium complex decomposes to In 2 O 3 with the formation of an intermediate compound. Nanoparticles of cubic In 2 O 3 with crystallite sizes in the nanosize range were formed after calcination at temperatures up to 900 deg. C. Calcined materials are characterized by a polydisperse distribution of spherical particles with sharp and smooth surfaces

  16. Thermal decomposition of chromite spinel with chlorite admixture

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez-Ramos, S. [Department of Analytical Chemistry, Faculty of Chemistry, University of Valencia, C/Doctor Moliner 50, 46100-Burjassot, Valencia (Spain); Escuela Superior de Ceramica, C/Ceramista A. Blat 22, 46940 Manises, Valencia (Spain); Domenech-Carbo, A. [Department of Analytical Chemistry, Faculty of Chemistry, University of Valencia, C/Doctor Moliner 50, 46100-Burjassot, Valencia (Spain); Gimeno-Adelantado, J.V. [Department of Analytical Chemistry, Faculty of Chemistry, University of Valencia, C/Doctor Moliner 50, 46100-Burjassot, Valencia (Spain)], E-mail: jose.v.gimeno@uv.es; Peris-Vicente, J.; Valle-Algarra, F.M. [Department of Analytical Chemistry, Faculty of Chemistry, University of Valencia, C/Doctor Moliner 50, 46100-Burjassot, Valencia (Spain)

    2008-09-30

    The behaviour of minerals in a South African chromite ore during the increasing of the temperature has been studied. Firstly, the changes produced during the ignition process have been examined by means of thermal and differential analysis (TGA-DTA) until 1200 deg. C. The characterization of the initial mineral and those obtained after heating at several temperatures in room atmosphere has been performed by X-ray diffraction (XRD). Moreover, voltammetric analyses have allowed to determine the variation of the iron oxidation degree in the studied materials. Light microscopy was applied to find more information about the different phases by their colour. During the heating, a wide range of complex exothermic and endothermic transformations take place. Decomposition compounds were identified, which were produced by heat decomposition, loss of structural water, element substitutions and oxygen absorptions and desorptions, caused mainly by the variation of the iron oxidation degree. The spinels of the chromite ore decompose in other spinels, with a partial change of the iron oxidation degree. From nearly 800 deg. C, chrome oxide (Cr{sub 2}O{sub 3}) comes off from the chromite forming another phase, and almost at 1000 deg. C, a slow decrease of weight was detected, caused among others to the formation of a magnetite phase. Simultaneously, the silicates undergo strong modifications, including decompositions and incorporation of iron (II) in their structure and producing other silicates stable at high temperatures, which modify the behaviour of the pure spinels. Moreover, at 1200 deg. C these silicates decompose to cristobalite (SiO{sub 2})

  17. Silver Nanoparticles and Graphitic Carbon Through Thermal Decomposition of a Silver/Acetylenedicarboxylic Salt

    Directory of Open Access Journals (Sweden)

    Komninou Philomela

    2009-01-01

    Full Text Available Abstract Spherically shaped silver nanoparticles embedded in a carbon matrix were synthesized by thermal decomposition of a Ag(I/acetylenedicarboxylic acid salt. The silver nanoparticles, which are formed either by pyrolysis at 300 °C in an autoclave or thermolysis in xylene suspension at reflux temperature, are acting catalytically for the formation of graphite layers. Both reactions proceed through in situ reduction of the silver cations and polymerization of the central acetylene triple bonds and the exact temperature of the reaction can be monitored through DTA analysis. Interestingly, the thermal decomposition of this silver salt in xylene partly leads to a minor fraction of quasicrystalline silver, as established by HR-TEM analysis. The graphitic layers covering the silver nanoparticles are clearly seen in HR-TEM images and, furthermore, established by the presence of sp2carbon at the Raman spectrum of both samples.

  18. 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.

  19. Synthesis of SiOx@CdS core–shell nanoparticles by simple thermal decomposition approach and studies on their optical properties

    International Nuclear Information System (INIS)

    Kandula, Syam; Jeevanandam, P.

    2014-01-01

    Highlights: • SiO x @CdS nanoparticles have been synthesized by a novel thermal decomposition approach. • The method is easy and there is no need for surface functionalization of silica core. • SiO x @CdS nanoparticles show different optical properties compared to pure CdS. - Abstract: SiO x @CdS core–shell nanoparticles have been synthesized by a simple thermal decomposition approach. The synthesis involves two steps. In the first step, SiO x spheres were synthesized using StÖber’s process. Then, cadmium sulfide nanoparticles were deposited on the SiO x spheres by the thermal decomposition of cadmium acetate and thiourea in ethylene glycol at 180 °C. Electron microscopy results show uniform deposition of cadmium sulfide nanoparticles on the surface of SiO x spheres. Electron diffraction patterns confirm crystalline nature of the cadmium sulfide nanoparticles on silica and high resolution transmission electron microscopy images clearly show the lattice fringes due to cubic cadmium sulfide. Diffuse reflectance spectroscopy results show blue shift of band gap absorption of SiO x @CdS core–shell nanoparticles with respect to bulk cadmium sulfide and this is attributed to quantum size effect. Photoluminescence results show enhancement in intensity of band edge emission and weaker emission due to surface defects in SiO x @CdS core–shell nanoparticles compared to pure cadmium sulfide nanoparticles

  20. A comparative study of magnetic properties of MnFe2O4 nanoparticles prepared by thermal decomposition and solvothermal methods

    Directory of Open Access Journals (Sweden)

    B Aslibeiki

    2017-09-01

    Full Text Available A comparative study of magnetic properties of MnFe2O4 ferrite nanoparticles prepared by two different methods has been reported. The first sample (S1 was synthesized by thermal decomposition of metal nitrates. And the second sample (S2 was prepared by solvothermal method using Tri-ethylene glycol (TEG. Magnetic hysteresis loops at 300 and 5 K; magnetization and AC susceptibility measurements versus temperature confirmed the effective role of TEG on the magnetic properties of nanoparticles. The results showed that, at 300 K the saturation magnetization (MS of S2 sample is 46% greater than that of S1 sample. At 5 K, the difference in MS of the samples raised to 60%. AC susceptibility measurements at different frequencies and also magnetization versus temperature under field cooling and zero field cooling processes revealed that, the TEG molecules influence the surface spins order of S2 sample. The sample S1 showed strongly interacting superspin glass state, while the sample S2 consists of weakly interacting superparamagnetic nanoparticles.

  1. Total control of chromium in tanneries - thermal decomposition of filtration cake from enzymatic hydrolysis of chrome shavings.

    Science.gov (United States)

    Kocurek, P; Kolomazník, K; Bařinová, M; Hendrych, J

    2017-04-01

    This paper deals with the problem of chromium recovery from chrome-tanned waste and thus with reducing the environmental impact of the leather industry. Chrome-tanned waste was transformed by alkaline enzymatic hydrolysis promoted by magnesium oxide into practically chromium-free, commercially applicable collagen hydrolysate and filtration cake containing a high portion of chromium. The crude and magnesium-deprived chromium cakes were subjected to a process of thermal decomposition at 650°C under oxygen-free conditions to reduce the amount of this waste and to study the effect of magnesium removal on the resulting products. Oxygen-free conditions were applied in order to prevent the oxidation of trivalent chromium into the hazardous hexavalent form. Thermal decomposition products from both crude and magnesium-deprived chrome cakes were characterized by high chromium content over 50%, which occurred as eskolaite (Cr 2 O 3 ) and magnesiochromite (MgCr 2 O 4 ) crystal phases, respectively. Thermal decomposition decreased the amount of chrome cake dry feed by 90%. Based on the performed experiments, a scheme for the total control of chromium in the leather industry was designed.

  2. Solid state green synthesis and catalytic activity of CuO nanorods in thermal decomposition of potassium periodate

    Science.gov (United States)

    Patel, Vinay Kumar; Bhattacharya, Shantanu

    2017-09-01

    The present study reports a facile solid state green synthesis process using the leaf extracts of Hibiscus rosa-sinensis to synthesize CuO nanorods with average diameters of 15-20 nm and lengths up to 100 nm. The as-synthesized CuO nanorods were characterized by x-ray diffraction, Fourier transform infrared spectroscopy, transmission electron microscopy and selected area electron diffraction. The formation mechanism of CuO nanorods has been explained by involving the individual role of amide I (amino groups) and carboxylate groups under excess hydroxyl ions released from NaOH. The catalytic activity of CuO nanorods in thermal decomposition of potassium periodate microparticles (µ-KIO4) microparticles was studied by thermo gravimetric analysis measurement. The original size (~100 µm) of commercially procured potassium periodate was reduced to microscale length scale to about one-tenth by PEG200 assisted emulsion process. The CuO nanorods prepared by solid state green route were found to catalyze the thermal decomposition of µ-KIO4 with a reduction of 18 °C in the final thermal decomposition temperature of potassium periodate.

  3. Thermal Decomposition of Sodium Hydrogen Carbonate and Textural Features of Its Calcines

    Czech Academy of Sciences Publication Activity Database

    Hartman, Miloslav; Svoboda, Karel; Pohořelý, Michael; Šyc, Michal

    2013-01-01

    Roč. 52, č. 31 (2013), s. 10619-10626 ISSN 0888-5885 R&D Projects: GA MŠk(CZ) 7C11009 Grant - others:RFCS(XE) RFCR-CT-2010-00009 Institutional support: RVO:67985858 Keywords : thermal decomposition * sodium hydrogen carbonate * sodium bicarbonate Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 2.235, year: 2013

  4. Phase decomposition and morphology characteristic in thermal aging Fe–Cr alloys under applied strain: A phase-field simulation

    International Nuclear Information System (INIS)

    Li Yongsheng; Zhu Hao; Zhang Lei; Cheng Xiaoling

    2012-01-01

    Highlights: ► Effects of variation mobility and applied strain on phase decomposition of Fe–Cr alloy were studied. ► Rate of phase decomposition rises as aging temperature and concentration increase. ► Phase transformation mechanism affects the volume fraction of equilibrium phase. ► Elongate morphology is intensified at higher aging temperature under applied strain. - Abstract: The phase decomposition and morphology evolution in thermal aging Fe–Cr alloys were investigated using the phase field method. In the simulation, the effects of atomic mobility, applied strain, alloy concentration and aging temperature were studied. The simulation results show that the rate of phase decomposition is influenced by the aging temperature and the alloy concentration, the equilibrium volume fractions (V f e ) of Cr-rich phase increases as aging temperature rises for the alloys of lower concentration, and the V f e decreases for the alloys with higher concentration. Under the applied strain, the orientation of Cr-rich phase is intensified as the aging temperature rises, and the stripe morphology is formed for the middle concentration alloys. The simulation results are helpful for understanding the phase decomposition in Fe–Cr alloys and the designing of duplex stainless steels working at high temperature.

  5. Thermal decomposition of RE(C2H5CO2)3·H2O (RE = Dy, Tb, Gd, Eu and Sm)

    DEFF Research Database (Denmark)

    Grivel, Jean-Claude

    2014-01-01

    The thermal decomposition of Dy(III), Tb(III), Gd(III), Eu(III), and Sm(III) propionate monohydrates was studied in argon by means of simultaneous differential thermal analysis and thermogravimetry, infrared-spectroscopy, X-ray diffraction, and optical microscopy. After dehydration, which takes......, an intermediate stage involving a RE2O(C2H5CO2)4 composition was evidenced in the case of the Eu- and Sm-propionates. For all compounds, further decomposition of RE2O2CO3 into the corresponding sesquioxides (RE2O3) is accompanied by the release of CO2. The thermal decomposition of Dy- and Tb-propionates occurs...

  6. Structure and thermal decomposition of sulfated β-cyclodextrin intercalated in a layered double hydroxide

    International Nuclear Information System (INIS)

    Wang Ji; Wei Min; Rao Guoying; Evans, D.G.; Duan Xue

    2004-01-01

    The sodium salt of hexasulfated β-cyclodextrin has been synthesized and intercalated into a magnesium-aluminum layered double hydroxide by ion exchange. The structure, composition and thermal decomposition behavior of the intercalated material have been studied by variable temperature X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), inductively coupled plasma emission spectroscopy (ICP), and thermal analysis (TG-DTA) and a model for the structure has been proposed. The thermal stability of the intercalated sulfated β-cyclodextrin is significantly enhanced compared with the pure form before intercalation

  7. Structure and thermal decomposition of sulfated β-cyclodextrin intercalated in a layered double hydroxide

    Science.gov (United States)

    Wang, Ji; Wei, Min; Rao, Guoying; Evans, David G.; Duan, Xue

    2004-01-01

    The sodium salt of hexasulfated β-cyclodextrin has been synthesized and intercalated into a magnesium-aluminum layered double hydroxide by ion exchange. The structure, composition and thermal decomposition behavior of the intercalated material have been studied by variable temperature X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), inductively coupled plasma emission spectroscopy (ICP), and thermal analysis (TG-DTA) and a model for the structure has been proposed. The thermal stability of the intercalated sulfated β-cyclodextrin is significantly enhanced compared with the pure form before intercalation.

  8. Synthesis of g-C{sub 3}N{sub 4}/CeO{sub 2} nanocomposites with improved catalytic activity on the thermal decomposition of ammonium perchlorate

    Energy Technology Data Exchange (ETDEWEB)

    Tan, Linghua, E-mail: tanlinghua@njit.edu.cn [School of Materials Science and Engineering, Nanjing Institute of Technology, Jiangsu (China); Jiangsu Key Laboratory of Advanced Structural Materials and Application Technology, Jiangsu (China); Xu, Jianhua [School of Materials Science and Engineering, Nanjing Institute of Technology, Jiangsu (China); Zhang, Xiaojuan [School of Material Engineering, Jinling Institute of Technology, Nanjing 211169 (China); Hang, Zusheng [School of Materials Science and Engineering, Nanjing Institute of Technology, Jiangsu (China); Jiangsu Key Laboratory of Advanced Structural Materials and Application Technology, Jiangsu (China); Jia, Yongqiang; Wang, Shanbin [School of Materials Science and Engineering, Nanjing Institute of Technology, Jiangsu (China)

    2015-11-30

    Graphical abstract: The CeO{sub 2} nanoparticles were uniformly loaded on the surface of g-C{sub 3}N{sub 4} via a simple mixing-calcination method, and the heterostructure construction of resulting from g-C{sub 3}N{sub 4}/CeO{sub 2} nanocomposites effectively suppressed the charge recombination. Interestingly, g-C{sub 3}N{sub 4}/CeO{sub 2} nanocomposites showed an enhanced catalytic activity for thermal decomposition of ammonium perchlorate. - Highlights: • Novel g-C{sub 3}N{sub 4}/CeO{sub 2} nanocomposites were synthesized through a simple mixing-calcination method. • The g-C{sub 3}N{sub 4}/CeO{sub 2} nanocomposites were applied in catalyzing the thermal decomposition of ammonium perchlorate. • The synergetic effect of g-C{sub 3}N{sub 4} and CeO{sub 2} was the origin of the high catalytic activity. • The catalytic mechanism of g-C{sub 3}N{sub 4}/CeO{sub 2} nanocomposites to the thermal decomposition of AP was investigated. - Abstract: Novel g-C{sub 3}N{sub 4}/CeO{sub 2} nanocomposites were synthesized through a simple mixing-calcination method. The structure, morphology and composition of g-C{sub 3}N{sub 4}/CeO{sub 2} nanocomposites were characterized by X-ray powder diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), field emission scanning electron microscopy (FESEM), energy dispersive X-ray spectroscopy (EDS), transmission electron microscopy (TEM), as well as X-ray photoelectron spectroscopy (XPS). The results indicated that CeO{sub 2} nanoparticles with a diameter of 50–100 nm were uniformly loaded on the surface of g-C{sub 3}N{sub 4.} Furthermore, the catalytic effect of our prepared novel g-C{sub 3}N{sub 4}/CeO{sub 2} nanocomposites on the thermal decomposition of ammonium perchlorate (AP) was investigated by utilizing thermogravimetric and differential thermal analyses (TG-DTA). Compared with pure g-C{sub 3}N{sub 4} and CeO{sub 2}, the g-C{sub 3}N{sub 4}/CeO{sub 2} nanocomposites were proved to catalyze the thermal decomposition

  9. A parallel domain decomposition-based implicit method for the Cahn-Hilliard-Cook phase-field equation in 3D

    KAUST Repository

    Zheng, Xiang

    2015-03-01

    We present a numerical algorithm for simulating the spinodal decomposition described by the three dimensional Cahn-Hilliard-Cook (CHC) equation, which is a fourth-order stochastic partial differential equation with a noise term. The equation is discretized in space and time based on a fully implicit, cell-centered finite difference scheme, with an adaptive time-stepping strategy designed to accelerate the progress to equilibrium. At each time step, a parallel Newton-Krylov-Schwarz algorithm is used to solve the nonlinear system. We discuss various numerical and computational challenges associated with the method. The numerical scheme is validated by a comparison with an explicit scheme of high accuracy (and unreasonably high cost). We present steady state solutions of the CHC equation in two and three dimensions. The effect of the thermal fluctuation on the spinodal decomposition process is studied. We show that the existence of the thermal fluctuation accelerates the spinodal decomposition process and that the final steady morphology is sensitive to the stochastic noise. We also show the evolution of the energies and statistical moments. In terms of the parallel performance, it is found that the implicit domain decomposition approach scales well on supercomputers with a large number of processors. © 2015 Elsevier Inc.

  10. A parallel domain decomposition-based implicit method for the Cahn-Hilliard-Cook phase-field equation in 3D

    Science.gov (United States)

    Zheng, Xiang; Yang, Chao; Cai, Xiao-Chuan; Keyes, David

    2015-03-01

    We present a numerical algorithm for simulating the spinodal decomposition described by the three dimensional Cahn-Hilliard-Cook (CHC) equation, which is a fourth-order stochastic partial differential equation with a noise term. The equation is discretized in space and time based on a fully implicit, cell-centered finite difference scheme, with an adaptive time-stepping strategy designed to accelerate the progress to equilibrium. At each time step, a parallel Newton-Krylov-Schwarz algorithm is used to solve the nonlinear system. We discuss various numerical and computational challenges associated with the method. The numerical scheme is validated by a comparison with an explicit scheme of high accuracy (and unreasonably high cost). We present steady state solutions of the CHC equation in two and three dimensions. The effect of the thermal fluctuation on the spinodal decomposition process is studied. We show that the existence of the thermal fluctuation accelerates the spinodal decomposition process and that the final steady morphology is sensitive to the stochastic noise. We also show the evolution of the energies and statistical moments. In terms of the parallel performance, it is found that the implicit domain decomposition approach scales well on supercomputers with a large number of processors.

  11. A parallel domain decomposition-based implicit method for the Cahn–Hilliard–Cook phase-field equation in 3D

    International Nuclear Information System (INIS)

    Zheng, Xiang; Yang, Chao; Cai, Xiao-Chuan; Keyes, David

    2015-01-01

    We present a numerical algorithm for simulating the spinodal decomposition described by the three dimensional Cahn–Hilliard–Cook (CHC) equation, which is a fourth-order stochastic partial differential equation with a noise term. The equation is discretized in space and time based on a fully implicit, cell-centered finite difference scheme, with an adaptive time-stepping strategy designed to accelerate the progress to equilibrium. At each time step, a parallel Newton–Krylov–Schwarz algorithm is used to solve the nonlinear system. We discuss various numerical and computational challenges associated with the method. The numerical scheme is validated by a comparison with an explicit scheme of high accuracy (and unreasonably high cost). We present steady state solutions of the CHC equation in two and three dimensions. The effect of the thermal fluctuation on the spinodal decomposition process is studied. We show that the existence of the thermal fluctuation accelerates the spinodal decomposition process and that the final steady morphology is sensitive to the stochastic noise. We also show the evolution of the energies and statistical moments. In terms of the parallel performance, it is found that the implicit domain decomposition approach scales well on supercomputers with a large number of processors

  12. Determination of kinetic parameters during the thermal decomposition of epoxy/carbon fiber composite material

    International Nuclear Information System (INIS)

    Lee, Jae Hun; Kim, Kwang Seok; Kim, Hyo

    2013-01-01

    An in-depth study to determine the thermal decomposition kinetics parameters such as the activation energy E_a, the reaction order n, and the pre-exponential factor A of epoxy/carbon fiber composite material has been conducted. We employ not only the modified peak property method that is proposed here, but also the conventional method in analyzing the experimental data, and compare the results to show the performance of the proposed model. The pyrolysis tests for the epoxy/carbon fiber composite materials are conducted by using thermogravimetric analyser at various heating rates. As a result, the best prediction to the experimental data can be obtained by the modified peak property method. Besides, among the methods applied here, the modified peak property method provides most convenient way to recover the parameters: it does not require a curve fitting of the data nor a long iterative computation

  13. Combustion synthesis and catalytic activity of LaCoO{sub 3} for HMX thermal decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Wei, Zhi-Xian; Chi, Ying-Nan [Department of Chemistry, Institute for Chemical Physics, Beijing Institute of Technology (China); Hu, Chang-Wen [State Key Laboratory of Explosion Science, Technology Beijing Institute of Technology, Beijing (China); Liu, Hai-Yan [Department of Chemistry, Science Institute, North China University, Taiyuan, Shanxi (China)

    2009-10-15

    Perovskite-type LaCoO{sub 3} was prepared by stearic acid solution combustion method and characterized by XRD, DSC-TG, and XPS techniques. The catalytic activities of LaCoO{sub 3} for HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) thermal decomposition were investigated. The as-prepared LaCoO{sub 3} shows higher activity than the calcined one. This could be due to higher concentration of surface-adsorbed oxygen and hydroxyl species as well as higher BET surface area of the as-prepared LaCoO{sub 3}. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

  14. Kinetic study and thermal decomposition behavior of viscoelastic memory foam

    International Nuclear Information System (INIS)

    Garrido, María A.; Font, Rafael; Conesa, Juan A.

    2016-01-01

    Highlights: • The thermal degradation has been studied under three different atmospheres. • Pyrolysis and combustion kinetic models have been proposed. • Evolved products under different atmospheres have been analyzed by TG-FTIR and TG-MS. - Abstract: A systematic investigation of the thermal decomposition of viscoelastic memory foam (VMF) was performed using thermogravimetric analysis (TGA) to obtain the kinetic parameters, and thermogravimetric analysis coupled to Fourier Transformed Infrared Spectrometry (TGA-FTIR) and thermogravimetric analysis coupled to Mass Spectrometry (TGA-MS) to obtain detailed information of evolved products on pyrolysis and oxidative degradations. Two consecutive nth-order reactions were employed to correlate the experimental data from dynamic and isothermal runs performed at three different heating rates (5, 10 and 20 K/min) under an inert atmosphere. On the other hand, for the kinetic study of the oxidative decomposition, the data from combustion (synthetic air) and poor oxygen combustion (N_2:O_2 = 9:1) runs, at three heating rates and under dynamic and isothermal conditions, were correlated simultaneously. A kinetic model consisting of three consecutive reactions presented a really good correlation in all runs. TGA-FTIR analysis showed that the main gases released during the pyrolysis of VMF were determined as ether and aliphatic hydrocarbons, whereas in combustion apart from the previous gases, aldehydes, amines and CO_2 have also been detected as the main gases. These results were confirmed by the TGA-MS.

  15. Comparison of Two-Block Decomposition Method and Chebyshev Rational Approximation Method for Depletion Calculation

    International Nuclear Information System (INIS)

    Lee, Yoon Hee; Cho, Nam Zin

    2016-01-01

    The code gives inaccurate results of nuclides for evaluation of source term analysis, e.g., Sr- 90, Ba-137m, Cs-137, etc. A Krylov Subspace method was suggested by Yamamoto et al. The method is based on the projection of solution space of Bateman equation to a lower dimension of Krylov subspace. It showed good accuracy in the detailed burnup chain calculation if dimension of the Krylov subspace is high enough. In this paper, we will compare the two methods in terms of accuracy and computing time. In this paper, two-block decomposition (TBD) method and Chebyshev rational approximation method (CRAM) are compared in the depletion calculations. In the two-block decomposition method, according to the magnitude of effective decay constant, the system of Bateman equation is decomposed into short- and longlived blocks. The short-lived block is calculated by the general Bateman solution and the importance concept. Matrix exponential with smaller norm is used in the long-lived block. In the Chebyshev rational approximation, there is no decomposition of the Bateman equation system, and the accuracy of the calculation is determined by the order of expansion in the partial fraction decomposition of the rational form. The coefficients in the partial fraction decomposition are determined by a Remez-type algorithm.

  16. Comparison of Two-Block Decomposition Method and Chebyshev Rational Approximation Method for Depletion Calculation

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Yoon Hee; Cho, Nam Zin [KAERI, Daejeon (Korea, Republic of)

    2016-05-15

    The code gives inaccurate results of nuclides for evaluation of source term analysis, e.g., Sr- 90, Ba-137m, Cs-137, etc. A Krylov Subspace method was suggested by Yamamoto et al. The method is based on the projection of solution space of Bateman equation to a lower dimension of Krylov subspace. It showed good accuracy in the detailed burnup chain calculation if dimension of the Krylov subspace is high enough. In this paper, we will compare the two methods in terms of accuracy and computing time. In this paper, two-block decomposition (TBD) method and Chebyshev rational approximation method (CRAM) are compared in the depletion calculations. In the two-block decomposition method, according to the magnitude of effective decay constant, the system of Bateman equation is decomposed into short- and longlived blocks. The short-lived block is calculated by the general Bateman solution and the importance concept. Matrix exponential with smaller norm is used in the long-lived block. In the Chebyshev rational approximation, there is no decomposition of the Bateman equation system, and the accuracy of the calculation is determined by the order of expansion in the partial fraction decomposition of the rational form. The coefficients in the partial fraction decomposition are determined by a Remez-type algorithm.

  17. The Effect of Water Vapor on the Thermal Decomposition of Pyrite in N2 Atmosphere

    Directory of Open Access Journals (Sweden)

    Nesrin BOYABAT

    2009-03-01

    Full Text Available In this study, the effect of water vapor on the thermal decomposition of pyrite mineral in nitrogen atmosphere has been investigated in a horizontal tube furnace. Temperature, time and water vapor concentration were used as experimental parameters. According to the data obtained at nitrogen/ water vapor environment, it was observed that the water vapor on the decomposition of pyrite increased the decomposition rate. The decomposition reaction is well represented by the "shrinking core" model and can be divided into two regions with different rate controlling step. The rate controlling steps were determined from the heat transfer through the gas film for the low conversions, while it was determined from the mass transfer through product ash layer for the high conversions. The activation energies of this gas and ash film mechanisms were found to be 77 and 81 kJ/mol-1, respectively.

  18. Construct solitary solutions of discrete hybrid equation by Adomian Decomposition Method

    International Nuclear Information System (INIS)

    Wang Zhen; Zhang Hongqing

    2009-01-01

    In this paper, we apply the Adomian Decomposition Method to solving the differential-difference equations. A typical example is applied to illustrate the validity and the great potential of the Adomian Decomposition Method in solving differential-difference equation. Kink shaped solitary solution and Bell shaped solitary solution are presented. Comparisons are made between the results of the proposed method and exact solutions. The results show that the Adomian Decomposition Method is an attractive method in solving the differential-difference equations.

  19. Thermal decomposition of solid mixtures of 2-oxy-4,6-dinitramine-s-triazine (DNAM) and phase stabilized ammonium nitrate (PSAN)

    OpenAIRE

    Simões, P. N.; Pedroso, L. M.; Portugal, A. A.; Campos, J. L.

    2000-01-01

    The thermal decomposition of solid mixtures of 2-oxy-4,6-dinitramine-s-triazine (DNAM) and phase stabilized ammonium nitrate (PSAN) at different mass ratios has been studied. Simultaneous thermal analysis (DSC/TG) and thermomicroscopy have been used. It was found that PSAN promotes the lowering of the decomposition temperature of DNAM. The beginning of this process occurs when both components are in the solid state irrespective of the composition. However, the composition appears as the main ...

  20. Unstructured characteristic method embedded with variational nodal method using domain decomposition techniques

    Energy Technology Data Exchange (ETDEWEB)

    Girardi, E.; Ruggieri, J.M. [CEA Cadarache (DER/SPRC/LEPH), 13 - Saint-Paul-lez-Durance (France). Dept. d' Etudes des Reacteurs; Santandrea, S. [CEA Saclay, Dept. Modelisation de Systemes et Structures DM2S/SERMA/LENR, 91 - Gif sur Yvette (France)

    2005-07-01

    This paper describes a recently-developed extension of our 'Multi-methods,multi-domains' (MM-MD) method for the solution of the multigroup transport equation. Based on a domain decomposition technique, our approach allows us to treat the one-group equation by cooperatively employing several numerical methods together. In this work, we describe the coupling between the Method of Characteristics (integro-differential equation, unstructured meshes) with the Variational Nodal Method (even parity equation, cartesian meshes). Then, the coupling method is applied to the benchmark model of the Phebus experimental facility (Cea Cadarache). Our domain decomposition method give us the capability to employ a very fine mesh in describing a particular fuel bundle with an appropriate numerical method (MOC), while using a much large mesh size in the rest of the core, in conjunction with a coarse-mesh method (VNM). This application shows the benefits of our MM-MD approach, in terms of accuracy and computing time: the domain decomposition method allows us to reduce the Cpu time, while preserving a good accuracy of the neutronic indicators: reactivity, core-to-bundle power coupling coefficient and flux error. (authors)

  1. Unstructured characteristic method embedded with variational nodal method using domain decomposition techniques

    International Nuclear Information System (INIS)

    Girardi, E.; Ruggieri, J.M.

    2005-01-01

    This paper describes a recently-developed extension of our 'Multi-methods,multi-domains' (MM-MD) method for the solution of the multigroup transport equation. Based on a domain decomposition technique, our approach allows us to treat the one-group equation by cooperatively employing several numerical methods together. In this work, we describe the coupling between the Method of Characteristics (integro-differential equation, unstructured meshes) with the Variational Nodal Method (even parity equation, cartesian meshes). Then, the coupling method is applied to the benchmark model of the Phebus experimental facility (Cea Cadarache). Our domain decomposition method give us the capability to employ a very fine mesh in describing a particular fuel bundle with an appropriate numerical method (MOC), while using a much large mesh size in the rest of the core, in conjunction with a coarse-mesh method (VNM). This application shows the benefits of our MM-MD approach, in terms of accuracy and computing time: the domain decomposition method allows us to reduce the Cpu time, while preserving a good accuracy of the neutronic indicators: reactivity, core-to-bundle power coupling coefficient and flux error. (authors)

  2. A quasimechanism of melt acceleration in the thermal decomposition of crystalline organic solids

    Energy Technology Data Exchange (ETDEWEB)

    Henson, Bryan F [Los Alamos National Laboratory

    2009-01-01

    It has been know for half a century that many crystalline organic solids undergo an acceleration in the rate of thermal decomposition as the melting temperature is approached. This acceleration terminates at the melting point, exhibiting an Arrhenius-like temperature dependence in the faster decomposition rate from the liquid phase. This observation has been modeled previously using various premelting behaviors based on e.g. freezing point depression induced by decomposition products or solvent impurities. These models do not, however, indicate a mechanism for liquid formation and acceleration which is an inherent function of the bulk thermodynamics of the molecule. Here we show that such an inherent thermodynamic mechanism for liquid formation exists in the form of the so-called quasi-liquid layer at the solid surface. We explore a kinetic mechanism which describes the acceleration of rate and is a function of the free energies of sublimation and vaporization. We construct a differential rate law from these thermodynamic free energies and a normalized progress variable. We further construct a reduced variable formulation of the model which is a simple function of the metastable liquid activity below the melting point, and show that it is applicable to the observed melt acceleration in several common organic crystalline solids. A component of the differential rate law, zero order in the progress variable, is shown to be proportional to the thickness of the quasiliquid layer predicted by a recent thermodynamic theory for this phenomenon. This work therefore serves not only to provide new insight into thermal decomposition in a broad class or organic crystalline solids, but also further validates the underlying thermodynamic nature of the phenomenon of liquid formation on the molecular surface at temperatures below the melting point.

  3. Effect of Energetic Materials on Thermal Decomposition of Phase-Stabilised Ammonium Nitrate - An Eco-Friendly Oxidiser

    OpenAIRE

    Suresh Mathew; K. Krishnan; K. N. Ninan

    1999-01-01

    Phase-stabilised ammonium nitrate (PSAN) was prepared by incorporating copper (II) diamine nitrate in the ammonium nitrate (AN) crystal lattice, thereby avoiding the abrupt volume change within the useful temperature range. The effect of RDX on the thermal decomposition of PSAN has been investigated. Decomposition temperatures of PSAN and RDX are almost in the same temperature range. The synergetic effect of the interaction between PSAN and RDX resulted in a net exothermic reaction of PSAN. T...

  4. Effects of magnesium-based hydrogen storage materials on the thermal decomposition, burning rate, and explosive heat of ammonium perchlorate-based composite solid propellant.

    Science.gov (United States)

    Liu, Leili; Li, Jie; Zhang, Lingyao; Tian, Siyu

    2018-01-15

    MgH 2 , Mg 2 NiH 4 , and Mg 2 CuH 3 were prepared, and their structure and hydrogen storage properties were determined through X-ray photoelectron spectroscopy and thermal analyzer. The effects of MgH 2 , Mg 2 NiH 4 , and Mg 2 CuH 3 on the thermal decomposition, burning rate, and explosive heat of ammonium perchlorate-based composite solid propellant were subsequently studied. Results indicated that MgH 2 , Mg 2 NiH 4 , and Mg 2 CuH 3 can decrease the thermal decomposition peak temperature and increase the total released heat of decomposition. These compounds can improve the effect of thermal decomposition of the propellant. The burning rates of the propellant increased using Mg-based hydrogen storage materials as promoter. The burning rates of the propellant also increased using MgH 2 instead of Al in the propellant, but its explosive heat was not enlarged. Nonetheless, the combustion heat of MgH 2 was higher than that of Al. A possible mechanism was thus proposed. Copyright © 2017. Published by Elsevier B.V.

  5. Studies on the thermal decomposition of lanthanum(III) valerate and lanthanum(III) caproate in argon

    Energy Technology Data Exchange (ETDEWEB)

    Grivel, J.-C., E-mail: jean@dtu.dk [Department of Energy Conversion and Storage, Technical University of Denmark, Frederiksborgvej 399, DK - 4000 Roskilde (Denmark); Zhao, Y.; Suarez Guevara, M.J. [Department of Energy Conversion and Storage, Technical University of Denmark, Frederiksborgvej 399, DK - 4000 Roskilde (Denmark); Watenphul, A. [Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22603 Hamburg (Germany); Institute of Mineralogy and Petrography, University of Hamburg, Grindelallee 48, 20146 Hamburg (Germany)

    2015-07-20

    Highlights: • The thermal decomposition of Lathanum valerate and caproate has been studied in Ar. • The compounds melt prior to decomposition. • Gas release in the molten state results in irregular mass loss. • CO{sub 2} and symmetrical ketones are the main evolving gas species. - Abstract: The decomposition of La-valerate (La(C{sub 4}H{sub 9}CO{sub 2}){sub 3}·xH{sub 2}O (x ≈ 0.45)) and La-caproate (La(C{sub 5}H{sub 11}CO{sub 2}){sub 3}·xH{sub 2}O (x ≈ 0.30)) was studied upon heating at 5 °C/min in a flow of argon. Using a variety of techniques including simultaneous TG-DTA, FTIR, X-ray diffraction with both laboratory Cu Kα and synchrotron sources as well as hot-stage microscopy, it was found that both compounds melt prior to decomposition and that the main decomposition stage from the molten, anhydrous state leads to the formation of La-dioxycarbonate (La{sub 2}O{sub 2}CO{sub 3}) via an unstable intermediate product and release of symmetrical ketones. Final decomposition to La{sub 2}O{sub 3} takes place with release of CO{sub 2}.

  6. The Composition of Intermediate Products of the Thermal Decomposition of (NH4)2ZrF6 to ZrO2 from Vibrational-Spectroscopy Data

    Science.gov (United States)

    Voit, E. I.; Didenko, N. A.; Gaivoronskaya, K. A.

    2018-03-01

    Thermal decomposition of (NH4)2ZrF6 resulting in ZrO2 formation within the temperature range of 20°-750°C has been investigated by means of thermal and X-ray diffraction analysis and IR and Raman spectroscopy. It has been established that thermolysis proceeds in six stages. The vibrational-spectroscopy data for the intermediate products of thermal decomposition have been obtained, systematized, and summarized.

  7. Thermal decomposition of FC(O)OCH3 and FC(O)OCH2CH3.

    Science.gov (United States)

    Berasategui, M; Argüello, G A; Burgos Paci, M A

    2018-05-09

    The thermal decomposition of methyl and ethyl formates has been extensively studied due to their importance in the oxidation of several fuels, pesticidal properties and their presence in interstellar space. We hitherto present the study of the thermal decomposition of methyl and ethyl fluoroformates, which could help in the elucidation of the reaction mechanisms. The reaction mechanisms were studied using FTIR spectroscopy in the temperature range of 453-733 K in the presence of different pressures of N2 as bath gas. For FC(O)OCH3 two different channels were observed; the unimolecular decomposition which is favored at higher temperatures and has a rate constant kFC(O)OCH3 = (5.3 ± 0.5) × 1015 exp[-(246 ± 10 kJ mol-1/RT)] (in units of s-1) and a bimolecular channel with a rate constant kFC(O)OCH3 = (1.6 ± 0.5) × 1011 exp[-(148 ± 10 kJ mol-1/RT)] (in units of s-1 (mol L)-1). However for ethyl formate, only direct elimination of CO2, HF and ethylene operates. The rate constants of the homogeneous first-order process fit the Arrhenius equation kFC(O)OCH2CH3 = (2.06 ± 0.09) × 1013 exp[-(169 ± 6 kJ mol-1/RT)] (in units of s-1). The difference between the mechanisms of the two fluoroformates relies on the stabilization of a six-centered transition state that only exists for ethyl formate. First principles calculations for the different channels were carried out to understand the dynamics of the decomposition.

  8. Synthesis and thermal decomposition kinetics of Th(IV) complex with unsymmetrical Schiff base ligand

    International Nuclear Information System (INIS)

    Fan Yuhua; Bi Caifeng; Liu Siquan; Yang Lirong; Liu Feng; Ai Xiaokang

    2006-01-01

    A new unsymmetrical Schiff base ligand (H 2 LLi) was synthesized using L-lysine, o-vanillin and salicylaladyde. Thorium(IV) complex of this ligand [Th(H 2 L)(NO 3 )](NO 3 ) 2 x 3H 2 O have been prepared and characterized by elemental analyses, IR, UV and molar conductance. The thermal decomposition kinetics of the complex for the second stage was studied under non-isothermal condition by TG and DTG methods. The kinetic equation may be expressed as: dα/dt = A x e -E/RT x 1/2 (1-α) x [-ln(1-α)] -1 . The kinetic parameters (E, A), activation entropy ΔS ≠ and activation free-energy ΔG ≠ were also calculated. (author)

  9. Thermal decomposition of the amino acids glycine, cysteine, aspartic acid, asparagine, glutamic acid, glutamine, arginine and histidine.

    Science.gov (United States)

    Weiss, Ingrid M; Muth, Christina; Drumm, Robert; Kirchner, Helmut O K

    2018-01-01

    The pathways of thermal instability of amino acids have been unknown. New mass spectrometric data allow unequivocal quantitative identification of the decomposition products. Calorimetry, thermogravimetry and mass spectrometry were used to follow the thermal decomposition of the eight amino acids G, C, D, N, E, Q, R and H between 185 °C and 280 °C. Endothermic heats of decomposition between 72 and 151 kJ/mol are needed to form 12 to 70% volatile products. This process is neither melting nor sublimation. With exception of cysteine they emit mainly H 2 O, some NH 3 and no CO 2 . Cysteine produces CO 2 and little else. The reactions are described by polynomials, AA→ a NH 3 + b H 2 O+ c CO 2 + d H 2 S+ e residue, with integer or half integer coefficients. The solid monomolecular residues are rich in peptide bonds. Eight of the 20 standard amino acids decompose at well-defined, characteristic temperatures, in contrast to commonly accepted knowledge. Products of decomposition are simple. The novel quantitative results emphasize the impact of water and cyclic condensates with peptide bonds and put constraints on hypotheses of the origin, state and stability of amino acids in the range between 200 °C and 300 °C.

  10. Nickel Oxide (NiO nanoparticles prepared by solid-state thermal decomposition of Nickel (II schiff base precursor

    Directory of Open Access Journals (Sweden)

    Aliakbar Dehno Khalaji

    2015-06-01

    Full Text Available In this paper, plate-like NiO nanoparticles were prepared by one-pot solid-state thermal decomposition of nickel (II Schiff base complex as new precursor. First, the nickel (II Schiff base precursor was prepared by solid-state grinding using nickel (II nitrate hexahydrate, Ni(NO32∙6H2O, and the Schiff base ligand N,N′-bis-(salicylidene benzene-1,4-diamine for 30 min without using any solvent, catalyst, template or surfactant. It was characterized by Fourier Transform Infrared spectroscopy (FT-IR and elemental analysis (CHN. The resultant solid was subsequently annealed in the electrical furnace at 450 °C for 3 h in air atmosphere. Nanoparticles of NiO were produced and characterized by X-ray powder diffraction (XRD at 2θ degree 0-140°, FT-IR spectroscopy, scanning electron microscopy (SEM and transmission electron microscopy (TEM. The XRD and FT-IR results showed that the product is pure and has good crystallinity with cubic structure because no characteristic peaks of impurity were observed, while the SEM and TEM results showed that the obtained product is tiny, aggregated with plate-like shape, narrow size distribution with an average size between 10-40 nm. Results show that the solid state thermal decomposition method is simple, environmentally friendly, safe and suitable for preparation of NiO nanoparticles. This method can also be used to synthesize nanoparticles of other metal oxides.

  11. Synthesis and characterization of an energetic compound Cu(Mtta)2(NO3)2 and effect on thermal decomposition of ammonium perchlorate

    International Nuclear Information System (INIS)

    Yang, Qi; Chen, Sanping; Xie, Gang; Gao, Shengli

    2011-01-01

    Highlights: ► A new energetic compound Cu(Mtta) 2 (NO 3 ) 2 has been synthesized and structural characterized. ► Sensitivity tests reveal that the compound is insensitive to mechanical stimuli. ► Cu(Mtta) 2 (NO 3 ) 2 accelerates the decomposition of Ammonium perchlorate (AP), which is the key component of composite solid propellant. - Abstract: An energetic coordination compound Cu(Mtta) 2 (NO 3 ) 2 has been synthesized by using 1-methyltetrazole (Mtta) as ligand and its structure has been characterized by X-ray single crystal diffraction. The central copper (II) cation was coordinated by four O atoms from two Mtta ligands and two N atoms from two NO 3 − anions to form a six-coordinated and distorted octahedral structure. 2D superamolecular layer structure was formed by the extensive intermolecular hydrogen bonds between Mtta ligands and NO 3 − anions. Thermal decomposition process of the compound was predicted based on DSC and TG-DTG analyses results. The kinetic parameters of the first exothermic process of the compound were studied by the Kissinger's and Ozawa–Doyle's methods. Sensitivity tests revealed that the compound was insensitive to mechanical stimuli. In addition, compound was explored as additive to promote the thermal decomposition of ammonium perchlorate (AP) by differential scanning calorimetry.

  12. Thermal Analysis of the Decomposition of Ammonium Uranyl Carbonate (AUC) in Different Atmospheres

    DEFF Research Database (Denmark)

    Hälldahl, L.; Sørensen, Ole Toft

    1979-01-01

    The intermediate products formed during thermal decomposition of ammonium uranyl carbonate (AUC) in different atmospheres, (air, helium and hydrogen) have been determined by thermal analysis, (TG, and DTA) and X-ray analysis. The endproducts observed are U3O8 and UO2 in air/He and hydrogen, respe......, respectively. The following intermediate products were observed in all atmospheres: http://www.sciencedirect.com.globalproxy.cvt.dk/cache/MiamiImageURL/B6THV-44K80TV-FB-1/0?wchp=dGLzVlz-zSkWW X-ray diffraction analysis showed that these phases were amorphous....

  13. Domain decomposition method for solving the neutron diffusion equation

    International Nuclear Information System (INIS)

    Coulomb, F.

    1989-03-01

    The aim of this work is to study methods for solving the neutron diffusion equation; we are interested in methods based on a classical finite element discretization and well suited for use on parallel computers. Domain decomposition methods seem to answer this preoccupation. This study deals with a decomposition of the domain. A theoretical study is carried out for Lagrange finite elements and some examples are given; in the case of mixed dual finite elements, the study is based on examples [fr

  14. Domain decomposition methods for fluid dynamics

    International Nuclear Information System (INIS)

    Clerc, S.

    1995-01-01

    A domain decomposition method for steady-state, subsonic fluid dynamics calculations, is proposed. The method is derived from the Schwarz alternating method used for elliptic problems, extended to non-linear hyperbolic problems. Particular emphasis is given on the treatment of boundary conditions. Numerical results are shown for a realistic three-dimensional two-phase flow problem with the FLICA-4 code for PWR cores. (from author). 4 figs., 8 refs

  15. Investigation and computer modeling of radiation and thermal decomposition of polystyrene scintillators

    Science.gov (United States)

    Sakhno, Tamara V.; Pustovit, Sergey V.; Borisenko, Artem Y.; Senchishin, Vitaliy G.; Barashkov, Nikolay N.

    2003-12-01

    This paper is devoted to the investigation and computer modeling of radiation and thermal decomposition of luminescent polystyrene compositions. It has been shown, that the stability of the optical properties of luminescent polymer composition depends on its material structure. On the basis of quantum-chemical calculation has been obtained the possible products of PS gamma-radiolysis and the effect of formation of fragments with conjugated double bonds and products with quinone structure has been investigated.

  16. Thermal decomposition of barium ferrate(VI): Mechanism and formation of FeIV intermediate and nanocrystalline Fe2O3 and ferrite

    International Nuclear Information System (INIS)

    Machala, Libor; Sharma, Virender K.; Kuzmann, Ernö; Homonnay, Zoltán; Filip, Jan; Kralchevska, Radina P.

    2016-01-01

    Simple high-valent iron-oxo species, ferrate(VI) (Fe VI O 4 2− , Fe(VI)) has applications in energy storage, organic synthesis, and water purification. Of the various salts of Fe(VI), barium ferrate(VI) (BaFeO 4 ) has also a great potential as a battery material. This paper presents the thermal decomposition of BaFeO 4 in static air and nitrogen atmosphere, monitored by combination of thermal analysis, Mössbauer spectroscopy, X-ray powder diffraction, and electron-microscopic techniques. The formation of Fe IV species in the form of BaFeO 3 was found to be the primary decomposition product of BaFeO 4 at temperature around 190 °C under both studied atmospheres. BaFeO 3 was unstable in air reacting with CO 2 to form barium carbonate and speromagnetic amorphous iron(III) oxide nanoparticles (<5 nm). Above 600 °C, a solid state reaction between BaCO 3 and Fe 2 O 3 occurred, leading to the formation of barium ferrite nanoparticles, BaFe 2 O 4 (20–100 nm). - Highlights: • We explained the mechanism of thermal decomposition of barium ferrate(VI). • We confirmed the formation of Fe(IV) intermediate phase during the decomposition. • The mechanism of the decomposition is influenced by a presence of carbon dioxide.

  17. Toxic pollutants emitted from thermal decomposition of phthalimide compounds

    Energy Technology Data Exchange (ETDEWEB)

    Chen Kai; Mackie, John C.; Wojtalewicz, Dominika; Kennedy, Eric M. [Process Safety and Environmental Protection Research Group, School of Engineering, The University of Newcastle, Callaghan, New South Wales 2308 (Australia); Dlugogorski, Bogdan Z., E-mail: Bogdan.Dlugogorski@newcastle.edu.au [Process Safety and Environmental Protection Research Group, School of Engineering, University of Newcastle, Callaghan, New South Wales 2308 (Australia)

    2011-03-15

    Phthalimide (PI) and tetrahydrophthalimide (THPI) are two structurally similar compounds extensively used as intermediates for the synthesis of variety of industrial chemicals. This paper investigates the thermal decomposition of PI and THPI under oxygen rich to oxygen lean conditions, quantifying the production of toxicants and explaining their formation pathways. The experiments involved a plug flow reactor followed by silica cartridges, activated charcoal trap and a condenser, with the decomposition products identified and quantified by Fourier transform infrared spectroscopy (FTIR), gas chromatography-mass spectrometry (GC-MS) and micro gas chromatography ({mu}GC). The density functional theory (DFT) calculations served to obtain dissociation energies and reaction pathways, to elucidate the reaction mechanism. The oxidation of PI and THPI produced several toxic nitrogen-containing gases and volatile organic compounds, including hydrogen cyanide, isocyanic acid, nitrogen oxides, benzonitrile, maleimide and tentatively identified benzenemethanimine. The detection of dibenzo-p-dioxin (DD) and dibenzofuran (DF) suggests potential formation of the toxic persistent organic pollutants (POPs) in fires involving PI and THPI, in presence of a chlorine source. The oxidation of THPI produced 2-cyclohexen-1-one, a toxic unsaturated ketone. The results of the present study provide the data for quantitative risk assessments of emissions of toxicants in combustion processes involving PI and THPI.

  18. Toxic pollutants emitted from thermal decomposition of phthalimide compounds

    International Nuclear Information System (INIS)

    Chen Kai; Mackie, John C.; Wojtalewicz, Dominika; Kennedy, Eric M.; Dlugogorski, Bogdan Z.

    2011-01-01

    Phthalimide (PI) and tetrahydrophthalimide (THPI) are two structurally similar compounds extensively used as intermediates for the synthesis of variety of industrial chemicals. This paper investigates the thermal decomposition of PI and THPI under oxygen rich to oxygen lean conditions, quantifying the production of toxicants and explaining their formation pathways. The experiments involved a plug flow reactor followed by silica cartridges, activated charcoal trap and a condenser, with the decomposition products identified and quantified by Fourier transform infrared spectroscopy (FTIR), gas chromatography-mass spectrometry (GC-MS) and micro gas chromatography (μGC). The density functional theory (DFT) calculations served to obtain dissociation energies and reaction pathways, to elucidate the reaction mechanism. The oxidation of PI and THPI produced several toxic nitrogen-containing gases and volatile organic compounds, including hydrogen cyanide, isocyanic acid, nitrogen oxides, benzonitrile, maleimide and tentatively identified benzenemethanimine. The detection of dibenzo-p-dioxin (DD) and dibenzofuran (DF) suggests potential formation of the toxic persistent organic pollutants (POPs) in fires involving PI and THPI, in presence of a chlorine source. The oxidation of THPI produced 2-cyclohexen-1-one, a toxic unsaturated ketone. The results of the present study provide the data for quantitative risk assessments of emissions of toxicants in combustion processes involving PI and THPI.

  19. A study of the solid-phase thermal decomposition of NTO using simultaneous thermogravimetric modulated beam mass spectrometry (STMBMS)

    Energy Technology Data Exchange (ETDEWEB)

    Minier, L.; Behrens, R. [Sandia National Labs., Livermore, CA (United States). Combustion Research Facility; Burkey, T.J. [Univ. of Memphis, TN (United States). Chemistry Dept.

    1997-01-01

    The solid phase thermal reaction chemistry of NTO between 190 and 250 C is presently being evaluated by utilizing STMBMS, a technique that enables the authors to measure the vapor pressure of NTO and to explore the reaction mechanisms and chemical kinetics associated with the NTO thermal decomposition process. The vapor pressure of NTO is expressed as Log{sub 10} p(torr) = 12.5137 + 6,296.553(1/t{sub k}) and the {Delta}H{sub subl} = 28.71 {+-} 0.07 kcal/mol (120.01 {+-} 0.29 kJ/mol). The pyrolysis of NTO results in the formation of gaseous products and a condensed-phase residue. The identity of the major gaseous products and their origin from within the NTO molecules are determined based on the results from pyrolysis of NTO, NTO-3-{sup 13}C, NTO-1,2-{sup 15}N{sub 2} and NTO-{sup 2}H{sub 2}. Identification of the products show the major gaseous products to be N{sub 2}, CO{sub 2}, NO, HNCO, H{sub 2}O and some N{sub 2}O, CO, HCN and NH{sub 3}. The N{sub 2} is mostly derived from the N-1 and N-2 positions with some being from the N-4 and N-1 or N-2 positions. The CO{sub 2} is derived from both carbons in the NTO molecule in comparable amounts. The residue has an elemental formula of C{sub 2.1}H{sub .26}N{sub 2.9}O and FTIR analysis suggests that the residue is polyurea- and polycarbamate-like in nature. The temporal behaviors of the rates of formation of the gaseous products indicate that the overall thermal decomposition of NTO in the temperature range evaluated involves four major processes: (1) NTO sublimation; (2) an apparent solid-solid phase transition between 190 and 195 C; (3) a decomposition regime induced by the presence of exogenous H{sub 2}O at the onset of decomposition; and (4) a decomposition regime that occurs at the onset of decomposition and continues until the depletion of NTO. Decomposition pathways that are consistent with the data are presented.

  20. Analysis of the Compounds from the BTEX Group, Emitted During Thermal Decomposition of Alkyd Resin

    Directory of Open Access Journals (Sweden)

    M. Kubecki

    2012-09-01

    Full Text Available Suitability of the given binding agent for the moulding sands preparation depends on the one hand on the estimation of technological properties of the sand and the mould made of it and the obtained casting quality and on the other hand on the assessment of this sand influence on the natural and working environment. Out of moulding sands used in the foundry industry, sands with organic binders deserve a special attention. These binders are based on synthetic resins, which ensure obtaining the proper technological properties and sound castings, however, they negatively influence the environment. If in the initial state these resins are not very dangerous for people and for the environment, thus under an influence of high temperatures they generate very harmful products, being the result of their thermal decomposition. Depending on the kind of the applied resin (phenol-formaldehyde, urea, furfuryl, urea–furfuryl, alkyd under an influence of a temperature such compounds as: furfuryl alcohol, formaldehyde, phenol, BTEX group (benzene, toluene, ethylbenzene, xylene, and also polycyclic aromatic hydrocarbons (PAH can be formed and released.The aim of the study was the development of the method, selection of analytical methods and the determination of optimal conditionsof formation compounds from the BTEX group. An emission of these components constitutes one of the basic criteria of the harmfulnessassessment of binders applied for moulding and core sands. Investigations were carried out in the specially designed set up for the thermal decomposition of organic substances in a temperature range: 5000C – 13000C at the laboratory scale. The object for testing was alkyd resin applied as a binding material for moulding sands. Within investigations the minimal amount of adsorbent necessary for the adsorption of compounds released during the decomposition of the resin sample of a mass app. 15 mg was selected. Also the minimal amount of solvent needed for

  1. Decomposition of aluminosilicate ores of Afghanistan by hydrochloric acid

    International Nuclear Information System (INIS)

    Mamatov, E.D.; Khomidi, A.K.

    2015-01-01

    Present article is devoted to decomposition of aluminosilicate ores of Afghanistan by hydrochloric acid. The physicochemical properties of initial aluminosilicate ores were studied by means of X-ray phase, differential-thermal analysis methods. The chemical and mineral composition of aluminosilicate ores was considered. The kinetics of acid decomposition of aluminosilicate ores composed of two stages was studied as well. The flowsheets of complex processing of aluminium comprising ores by means of chloric and acid methods were proposed.

  2. Studies on compatibility of energetic materials by thermal methods

    Directory of Open Access Journals (Sweden)

    Maria Alice Carvalho Mazzeu

    2010-04-01

    Full Text Available The chemical compatibility of explosives, pyrotechnics and propellants with those materials is studied to evaluate potential hazards when in contact with other materials during production, storage and handling. Compatibility can be studied by several thermal methods as DSC (differential scanning calorimetry, TG (Thermogravimetry, VST (Vacuum stability test and others. The test methods and well defined criteria are the most important elements when a compatibility study is being accomplished. In this paper, the compatibility of two very important high explosives used in ammunition, RDX (Cyclo-1,3,5-trimethylene-2,4,6-trinitramine and HMX (Cyclotetramethylene tetranitramine was studied with the materials: fluoroelastomer (Viton and powdered aluminum (Al, using DSC and VST methods. The criteria to judge the compatibility between materials is based on a standardization agreement (STANAG 4147, 2001, and the final conclusion is that explosives and this materials are compatible, but in DSC it was observed that the peak of decomposition temperature of the admixture of RDX with Al decreased in 3º C and another peak appeared after the decomposition peak.

  3. 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.

  4. 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.

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

    Science.gov (United States)

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

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

  6. Multiple Shooting and Time Domain Decomposition Methods

    CERN Document Server

    Geiger, Michael; Körkel, Stefan; Rannacher, Rolf

    2015-01-01

    This book offers a comprehensive collection of the most advanced numerical techniques for the efficient and effective solution of simulation and optimization problems governed by systems of time-dependent differential equations. The contributions present various approaches to time domain decomposition, focusing on multiple shooting and parareal algorithms.  The range of topics covers theoretical analysis of the methods, as well as their algorithmic formulation and guidelines for practical implementation. Selected examples show that the discussed approaches are mandatory for the solution of challenging practical problems. The practicability and efficiency of the presented methods is illustrated by several case studies from fluid dynamics, data compression, image processing and computational biology, giving rise to possible new research topics.  This volume, resulting from the workshop Multiple Shooting and Time Domain Decomposition Methods, held in Heidelberg in May 2013, will be of great interest to applied...

  7. Synthesis, crystal structure and catalytic effect on thermal decomposition of RDX and AP: An energetic coordination polymer [Pb{sub 2}(C{sub 5}H{sub 3}N{sub 5}O{sub 5}){sub 2}(NMP)·NMP]{sub n}

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jin-jian [School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China); Yancheng Teachers College, Yancheng 224002 (China); Liu, Zu-Liang, E-mail: liuzl@mail.njust.edu.cn [School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China); Cheng, Jian [School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China); Yancheng Teachers College, Yancheng 224002 (China); Fang, Dong, E-mail: fangdong106@163.com [Yancheng Teachers College, Yancheng 224002 (China)

    2013-04-15

    An energetic lead(II) coordination polymer based on the ligand ANPyO has been synthesized and its crystal structure has been got. The polymer was characterized by FT-IR spectroscopy, elemental analysis, DSC and TG-DTG technologies. Thermal analysis shows that there are one endothermic process and two exothermic decomposition stages in the temperature range of 50–600 °C with final residues 57.09%. The non-isothermal kinetic has also been studied on the main exothermic decomposition using the Kissinger's and Ozawa–Doyle's methods, the apparent activation energy is calculated as 195.2 KJ/mol. Furthermore, DSC measurements show that the polymer has significant catalytic effect on the thermal decomposition of ammonium perchlorate. - Graphical abstract: An energetic lead(II) coordination polymer of ANPyO has been synthesized, structurally characterized and properties tested. Highlights: ► We have synthesized and characterized an energetic lead(II) coordination polymer. ► We have measured its molecular structure and thermal decomposition. ► It has significant catalytic effect on thermal decomposition of AP.

  8. Thermal Decomposition Reaction of Acetophenone Cyclic Diperoxide in Solvents of Different Physicochemical Properties

    Directory of Open Access Journals (Sweden)

    C. M. Mateo

    2000-03-01

    Full Text Available The thermal decomposition reaction of acetophenone cyclic diperoxide (trans-3,6-dimethyl-3,6-diphenyl-1,2,4,5-tetroxane; APDP at the initial concentration of c.a. 0.01 mol kg-1 and temperature ranges of 135.5 to 185.0° C has been investigated in dioxane and acetonitrile solutions, and in an 2-propanol/benzene mixture.

  9. A study on the thermal decomposition behavior of derivatives of 1,5-diamino-1H-tetrazole (DAT): A new family of energetic heterocyclic-based salts

    International Nuclear Information System (INIS)

    Fischer, Gerd; Holl, Gerhard; Klapoetke, Thomas M.; Weigand, Jan J.

    2005-01-01

    The thermal decomposition of the highly energetic 1,5-diamino-4-methyl-1H-tetrazolium nitrate (2b), 1,5-diamino-4-methyl-1H-tetrazolium dinitramide (2c) and 1,5-diamino-4-methyl-1H-tetrazolium azide (2d) were investigated by thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). Mass spectrometry and IR spectroscopy were used to identify the gaseous products. Decomposition appears in the cases of 2c and 2d to be initiated by a proton transfer to form the corresponding acid HN 3 and HN 3 O 4 whereas in the case of 2b a methyl group transfer to MeONO 2 is observed as initial process. The gaseous products after the exothermic decomposition are comparable and are in agreement of the possible decomposition pathways discussed for the corresponding compounds. For all processes, possible decomposition schemes are presented. The decomposition temperatures of 2b and 2c are significantly higher than that of 2d and were supported by evaluation the values of the activation energy according the method of Ozawa and Kissinger

  10. Synthesis of Mn{sub x}Ga{sub 1−x}Fe{sub 2}O{sub 4} magnetic nanoparticles by thermal decomposition method for medical diagnosis applications

    Energy Technology Data Exchange (ETDEWEB)

    Sánchez, Javier, E-mail: h_javiersanchez@hotmail.com [CINVESTAV-IPN, Unidad Saltillo, Industria Metalúrgica 1062, Parque Industrial Saltillo – Ramos Arizpe, Ramos Arizpe, Coahuila CP 25900, México (Mexico); Cortés-Hernández, Dora Alicia; Escobedo-Bocardo, José Concepción; Almanza-Robles, José Manuel; Reyes-Rodríguez, Pamela Yajaira; Jasso-Terán, Rosario Argentina [CINVESTAV-IPN, Unidad Saltillo, Industria Metalúrgica 1062, Parque Industrial Saltillo – Ramos Arizpe, Ramos Arizpe, Coahuila CP 25900, México (Mexico); Bartolo-Pérez, Pascual [CINVESTAV-IPN, Unidad Mérida, Departamento de Física Aplicada, A. P. 73 Cordemex, 97310 Mérida, Yuc., México (Mexico); De-León-Prado, Laura Elena [CINVESTAV-IPN, Unidad Saltillo, Industria Metalúrgica 1062, Parque Industrial Saltillo – Ramos Arizpe, Ramos Arizpe, Coahuila CP 25900, México (Mexico)

    2017-04-01

    In this work, the synthesis of Mn{sub x}Ga{sub 1−x}Fe{sub 2}O{sub 4} (x=0–1) nanosized particles by thermal decomposition method, using tetraethylene glycol (TEG) as a reaction medium, has been performed. The crystalline structure of the inverse spinel obtained in all the cases was identified by X-ray diffraction (XRD). Vibration sample magnetometry (VSM) was used to evaluate the magnetic properties of ferrites and to demonstrate their superparamagnetic behavior and the increase of magnetization values due to the Mn{sup 2+} ions incorporation into the FeGa{sub 2}O{sub 4} structure. Transmission electron microscopy, energy dispersive spectroscopy (TEM-EDS) and X-ray photoelectron spectroscopy (XPS) were used to characterize the obtained magnetic nanoparticles (MNPs). These MNPs showed a near spherical morphology, an average particle size of 5.6±1.5 nm and a TEG coating layer on their surface. In all the cases MNPs showed no response when submitted to an alternating magnetic field (AMF, 10.2 kA/m, 354 kHz) using magnetic induction tests. These results suggest that the synthesized nanoparticles can be potential candidates for their use in biomedical areas. - Highlights: • Superparamagnetic NPs of Mn{sub x}Ga{sub 1−x}Fe{sub 2}O{sub 4} were synthesized by thermal decomposition. • Saturation magnetization of MnGaFe{sub 2}O{sub 4} increases as Mn ions are increased. • Nanoparticles have a nanometric size of 5.6 nm and show no heating ability.

  11. Non-thermal plasma at atmospheric pressure for ozone generation and volatile organic compounds decomposition

    International Nuclear Information System (INIS)

    Pekarek, S.; Khun, J.

    2006-01-01

    The non-thermal plasma technologies based on electrical discharges play an important role in ecological applications. The classical corona discharge is however relatively low power discharge. With the aim to extend its current-voltage range we studied hollow needle-to-plate DC corona discharge enhanced by the flow of a gas through the needle electrode. With this type of the discharge we performed an extensive study of ozone generation and volatile organic compounds decomposition. We found that supply of air through the needle substantially increases current-voltage range of the discharge in comparison with classical pin-to-plate corona discharge. Consequently the ozone generation as well as toluene decomposition efficiency was increased (Authors)

  12. A PARALLEL NONOVERLAPPING DOMAIN DECOMPOSITION METHOD FOR STOKES PROBLEMS

    Institute of Scientific and Technical Information of China (English)

    Mei-qun Jiang; Pei-liang Dai

    2006-01-01

    A nonoverlapping domain decomposition iterative procedure is developed and analyzed for generalized Stokes problems and their finite element approximate problems in RN(N=2,3). The method is based on a mixed-type consistency condition with two parameters as a transmission condition together with a derivative-free transmission data updating technique on the artificial interfaces. The method can be applied to a general multi-subdomain decomposition and implemented on parallel machines with local simple communications naturally.

  13. Proper orthogonal decomposition applied to laminar thermal convection in a vertical two plate channel

    International Nuclear Information System (INIS)

    Alvarez-Herrera, C; Murillo-Ramírez, J G; Pérez-Reyes, I; Moreno-Hernández, D

    2015-01-01

    This work reports the thermal convection with imposed shear flow in a thin two-plate channel. Flow structures are investigated under heating asymmetric conditions and different laminar flow conditions. The dynamics of heat flow and the energy distribution were determined by visualization with the Schlieren technique and application of the proper orthogonal decomposition (POD) method. The obtained results from the POD mode analysis revealed that for some flow conditions the heat transfer is related to the energy of the POD modes and their characteristic numbers. It was possible to detect periodic motion in the two-plate channel flow from the POD mode analysis. It was also found that when the energy is distributed among many POD modes, the fluid flow is disorganized and unsteady. (paper)

  14. Hourly forecasting of global solar radiation based on multiscale decomposition methods: A hybrid approach

    International Nuclear Information System (INIS)

    Monjoly, Stéphanie; André, Maïna; Calif, Rudy; Soubdhan, Ted

    2017-01-01

    This paper introduces a new approach for the forecasting of solar radiation series at 1 h ahead. We investigated on several techniques of multiscale decomposition of clear sky index K_c data such as Empirical Mode Decomposition (EMD), Ensemble Empirical Mode Decomposition (EEMD) and Wavelet Decomposition. From these differents methods, we built 11 decomposition components and 1 residu signal presenting different time scales. We performed classic forecasting models based on linear method (Autoregressive process AR) and a non linear method (Neural Network model). The choice of forecasting method is adaptative on the characteristic of each component. Hence, we proposed a modeling process which is built from a hybrid structure according to the defined flowchart. An analysis of predictive performances for solar forecasting from the different multiscale decompositions and forecast models is presented. From multiscale decomposition, the solar forecast accuracy is significantly improved, particularly using the wavelet decomposition method. Moreover, multistep forecasting with the proposed hybrid method resulted in additional improvement. For example, in terms of RMSE error, the obtained forecasting with the classical NN model is about 25.86%, this error decrease to 16.91% with the EMD-Hybrid Model, 14.06% with the EEMD-Hybid model and to 7.86% with the WD-Hybrid Model. - Highlights: • Hourly forecasting of GHI in tropical climate with many cloud formation processes. • Clear sky Index decomposition using three multiscale decomposition methods. • Combination of multiscale decomposition methods with AR-NN models to predict GHI. • Comparison of the proposed hybrid model with the classical models (AR, NN). • Best results using Wavelet-Hybrid model in comparison with classical models.

  15. Solution of the porous media equation by Adomian's decomposition method

    International Nuclear Information System (INIS)

    Pamuk, Serdal

    2005-01-01

    The particular exact solutions of the porous media equation that usually occurs in nonlinear problems of heat and mass transfer, and in biological systems are obtained using Adomian's decomposition method. Also, numerical comparison of particular solutions in the decomposition method indicate that there is a very good agreement between the numerical solutions and particular exact solutions in terms of efficiency and accuracy

  16. Ultrafine ferromagnetic iron oxide nanoparticles: Facile synthesis by low temperature decomposition of iron glycerolate

    Energy Technology Data Exchange (ETDEWEB)

    Bartůněk, Vilém, E-mail: vilem.bartunek@vscht.cz [Department of Inorganic Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology, Technická 5, 166 28 Prague 6 (Czech Republic); Průcha, David [Department of Inorganic Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology, Technická 5, 166 28 Prague 6 (Czech Republic); Švecová, Marie [Department of Analytical Chemistry, Faculty of Chemical Engineering, University of Chemistry and Technology, Technická 5, 166 28 Prague 6 (Czech Republic); Ulbrich, Pavel [Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology, University of Chemistry and Technology, Technická 3, 166 28 Prague 6 (Czech Republic); Huber, Štěpán; Sedmidubský, David; Jankovský, Ondřej [Department of Inorganic Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology, Technická 5, 166 28 Prague 6 (Czech Republic)

    2016-09-01

    We synthesized dark colored ultrafine – sub 10 nm iron oxide nanoparticles by a facile and low temperature process based on thermal decomposition of an affordable precursor – iron glycerolate. Simultaneous thermal analysis (STA) was used to study the thermal behaviour during the decomposition. The iron glycerolate was thoroughly analysed by various methods. The size of the iron nanoparticles was determined from XRD patterns and by transmission electron microscopy (TEM) and their composition has been confirmed by XPS. Magnetic properties of the nanoparticles were studied by vibrating sample magnetometry. The prepared single phase material exhibiting ferromagnetic properties is usable in a wide range of applications and may be suitable even for large scale industrial applications. - Highlights: • Iron glycerolate prepared and characterised. • Iron oxide nanoparticles prepared by thermal decomposition of iron glycerolate. • STA used to study the decomposition. • Products characterised by XRD, XPS, FT-IR, SEM and TEM. • Magnetic behaviour of monophasic samples determined.

  17. In situ ESEM study of the thermal decomposition of chrysotile asbestos in view of safe recycling of the transformation product

    International Nuclear Information System (INIS)

    Gualtieri, Alessandro F.; Gualtieri, Magdalena Lassinantti; Tonelli, Massimo

    2008-01-01

    The thermal transformation of asbestos into non-hazardous crystalline phases and their recycling is a promising solution for the 'asbestos problem'. The most common asbestos-containing industrial material produced worldwide is cement-asbestos. Knowledge of the kinetics of thermal transformation of asbestos fibers in cement-asbestos is of paramount importance for the optimization of the firing process at industrial scale. Here, environmental scanning electron microscopy (ESEM) was used for the first time to follow in situ the thermal transformation of chrysotile fibers present in cement-asbestos. It was found that the reaction kinetics of thermal transformation of chrysotile was highly slowed down in the presence of water vapor in the experimental chamber with respect to He. This was explained by chemisorbed water on the surface of the fibers which affected the dehydroxylation reaction and consequently the recrystallization into Mg-silicates. In the attempt to investigate alternative and faster firing routes for the decomposition of asbestos, a low melting glass was mixed with cement-asbestos and studied in situ to assess to which extent the decomposition of asbestos is favored. It was found that the addition of a low melting glass to cement-asbestos greatly improved the decomposition reaction and decreased the transformation temperatures

  18. Thermal decomposition study of Mn doped Fe3O4 nanoparticles

    Science.gov (United States)

    Malek, Tasmira J.; Chaki, S. H.; Tailor, J. P.; Deshpande, M. P.

    2016-05-01

    Fe3O4 is an excellent magnetic material among iron oxides. It has a cubic inverse spinel structure exhibiting distinguished electric and magnetic properties. In this paper the authors report the synthesis of Mn doped Fe3O4 nanoparticles by wet chemical reduction technique at ambient temperature and its thermal characterization. Ferric chloride hexa-hydrate (FeCl3•6H2O), manganese chloride tetra-hydrate (MnCl2•4H2O) and sodium boro-hydrate (NaBH4) were used for synthesis of Fe3O4 nanoparticles at ambient temperature. The elemental composition of the as-synthesized Mn doped Fe3O4 nanoparticles were determined by energy dispersive analysis of X-rays (EDAX) technique. Thermogravimetric (TG) and differential thermal analysis (DTA) were carried out on the Mn doped Fe3O4 nanoparticles in the temperature range of ambient to 1124 K. The thermo-curves revealed that the particles decompose by four steps. The kinetic parameters were evaluated using non-mechanistic equations for the thermal decomposition.

  19. A practical material decomposition method for x-ray dual spectral computed tomography.

    Science.gov (United States)

    Hu, Jingjing; Zhao, Xing

    2016-03-17

    X-ray dual spectral CT (DSCT) scans the measured object with two different x-ray spectra, and the acquired rawdata can be used to perform the material decomposition of the object. Direct calibration methods allow a faster material decomposition for DSCT and can be separated in two groups: image-based and rawdata-based. The image-based method is an approximative method, and beam hardening artifacts remain in the resulting material-selective images. The rawdata-based method generally obtains better image quality than the image-based method, but this method requires geometrically consistent rawdata. However, today's clinical dual energy CT scanners usually measure different rays for different energy spectra and acquire geometrically inconsistent rawdata sets, and thus cannot meet the requirement. This paper proposes a practical material decomposition method to perform rawdata-based material decomposition in the case of inconsistent measurement. This method first yields the desired consistent rawdata sets from the measured inconsistent rawdata sets, and then employs rawdata-based technique to perform material decomposition and reconstruct material-selective images. The proposed method was evaluated by use of simulated FORBILD thorax phantom rawdata and dental CT rawdata, and simulation results indicate that this method can produce highly quantitative DSCT images in the case of inconsistent DSCT measurements.

  20. Thermoanalytical study of the decomposition of yttrium trifluoroacetate thin films

    International Nuclear Information System (INIS)

    Eloussifi, H.; Farjas, J.; Roura, P.; Ricart, S.; Puig, T.; Obradors, X.; Dammak, M.

    2013-01-01

    We present the use of the thermal analysis techniques to study yttrium trifluoroacetate thin films decomposition. In situ analysis was done by means of thermogravimetry, differential thermal analysis, and evolved gas analysis. Solid residues at different stages and the final product have been characterized by X-ray diffraction and scanning electron microscopy. The thermal decomposition of yttrium trifluoroacetate thin films results in the formation of yttria and presents the same succession of intermediates than powder's decomposition, however, yttria and all intermediates but YF 3 appear at significantly lower temperatures. We also observe a dependence on the water partial pressure that was not observed in the decomposition of yttrium trifluoroacetate powders. Finally, a dependence on the substrate chemical composition is discerned. - Highlights: • Thermal decomposition of yttrium trifluoroacetate films. • Very different behavior of films with respect to powders. • Decomposition is enhanced in films. • Application of thermal analysis to chemical solution deposition synthesis of films

  1. Investigation of the sensitivity of MIS-sensor to thermal decomposition products of cables insulation

    Science.gov (United States)

    Filipchuk, D. V.; Litvinov, A. V.; Etrekova, M. O.; Nozdrya, D. A.

    2017-12-01

    Sensitivity of the MIS-sensor to products of thermal decomposition of insulation and jacket of the most common types of cables is investigated. It is shown that hydrogen is evolved under heating the insulation to temperatures not exceeding 250 °C. Registration of the evolved hydrogen by the MIS-sensor can be used for detection of fires at an early stage.

  2. Kinetics of thermal decomposition of some biomasses in an inert environment. An investigation of the effect of lead loaded by biosorption.

    Science.gov (United States)

    Martín-Lara, María Ángeles; Iáñez-Rodríguez, Irene; Blázquez, Gabriel; Quesada, Lucía; Pérez, Antonio; Calero, Mónica

    2017-12-01

    The thermal behavior of some types of raw and lead-polluted biomasses typical in south Spain was studied by non-isothermal thermogravimetry. Experiments were carried out in nitrogen atmosphere at three heating rates (5, 10 and 20°C/min). The results of thermogravimetric tests carried out proved that the presence of lead did not change the main degradation pathways of selected biomass (almond shell (AS) and olive pomace (OP)). However, from a point of view of mass loss, lead-polluted samples showed higher decomposition temperatures and decomposition at higher rate. The determination of activation energies was performed by isoconversional methods of Flynn-Wall-Ozawa (FWO), Kissinger-Akahira-Sunose (KAS) and Friedman (FR). In general, lead-polluted samples showed lower activation energies than raw ones. Then, Coast-Redfern method was applied to determine kinetic function. The kinetic function that seems to determine the mechanism of thermal degradation of main components of all samples was nth order reaction. Finally, a model based on three parallel reactions (for three pseudocomponents) that fit to nth order reactions was evaluated. This model was appropriate to predict the pyrolysis behavior of the raw and lead-polluted samples in all pyrolysis conditions studied. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. Study of 'liquid gold' coatings: Thermal decomposition and formation of metallic thin films

    International Nuclear Information System (INIS)

    Deram, V.; Turrell, S.; Darque-Ceretti, E.; Aucouturier, M.

    2006-01-01

    Organo-metallic solutions called liquid gold are largely used to obtain thin gilded films which are employed for decorative, technological and functional uses. However, these films often prove to be fragile with respect to use, resulting in loss of brilliance or even eventual film removal. An understanding of the behaviour of the layers requires good knowledge of the materials themselves. The present work was undertaken to better understand the evolution of the structural properties of liquid gold as it undergoes heat-processing. Accordingly, we followed the thermal decomposition processes of liquid gold coatings and the formation of the gilded metal layer using a combination of experimental techniques. First, thermal analyses coupled with mass spectrometry and infrared spectroscopy gave information concerning the decomposition of the organic medium. It has been found that the process of film formation can be decomposed into three steps, the second of which is an abrupt transition between 300 and 350 deg. C. Details on this transition have been obtained using real-time X-ray Diffraction and Rutherford Backscattering Spectrometry. Above 350 deg. C, the microstructure of the coating is reorganized to obtain a final layer which contains particles, of the size of a few hundreds nanometers, as shown by Transmission Electron Microscopy

  4. Thermal decomposition of ammonium uranate; X-ray study

    International Nuclear Information System (INIS)

    El-Fekey, S.A.; Rofail, N.H.; Khilla, M.A.

    1984-01-01

    Ammonium uranate was precipitated from a nuclear-pure uranyl nitrate solution using gaseous ammonia. Thermal decomposition of the obtained uranate, at different calcining temperatures, resulted in the formation of amorphous (A-)UO 3 , β-UO 3 , UOsub(2.9), U 3 O 8 (H) and U 3 O 8 (O). The influence of ammonia content, occluded nitrate ions and rate of heating, on the formation of these phases, was studied using X-ray powder diffraction analysis. The results indicated that ammonium uranate UO 2 (OH)sub(2-x)(ONH 4 )x . YH 2 O is a continuous non-stoichiometric system is a continuous non-stoichiometric system with no intermediate stoichiometric compounds and its composition varies according to mode of preparation. The results indicated also that the rate of heating and formation of hydrates are important factors for both UOsub(2.9) and U 3 O 8 (O) formation. (orig.)

  5. Thermal decomposition of titanium deuteride thin films

    International Nuclear Information System (INIS)

    Malinowski, M.E.

    1983-01-01

    The thermal desorption spectra of deuterium from essentially clean titanium deuteride thin films were measured by ramp heating the films in vacuum; the film thicknesses ranged from 20 to 220 nm and the ramp rates varied from 0.5 to about 3 0 C s - 1 . Each desorption spectrum consisted of a low nearly constant rate at low temperatures followed by a highly peaked rate at higher temperatures. The cleanliness and thinness of the films permitted a description of desorption rates in terms of a simple phenomenological model based on detailed balancing in which the low temperature pressure-composition characteristics of the two-phase (α-(α+#betta#)-#betta#) region of the Ti-D system were used as input data. At temperatures below 340 0 C the model predictions were in excellent agreement with the experimentally measured desorption spectra. Interpretations of the spectra in terms of 'decomposition trajectories'' are possible using this model, and this approach is also used to explain deviations of the spectra from the model at temperatures of 340 0 C and above. (Auth.)

  6. Kernel based pattern analysis methods using eigen-decompositions for reading Icelandic sagas

    DEFF Research Database (Denmark)

    Christiansen, Asger Nyman; Carstensen, Jens Michael

    We want to test the applicability of kernel based eigen-decomposition methods, compared to the traditional eigen-decomposition methods. We have implemented and tested three kernel based methods methods, namely PCA, MAF and MNF, all using a Gaussian kernel. We tested the methods on a multispectral...... image of a page in the book 'hauksbok', which contains Icelandic sagas....

  7. Study of the decomposition of phase stabilized ammonium nitrate (PSAN) by simultaneous thermal analysis: determination of kinetic parameters

    OpenAIRE

    Simões, P. N.; Pedroso, L. M.; Portugal, A. A.; Campos, J. L.

    1998-01-01

    Ammonium nitrate (AN) has been extensively used both in explosive and propellant formulations. Unlike AN, there is a lack of information about the thermal decomposition and related kinetic analysis of phase stabilized ammonium nitrate (PSAN). Simultaneous thermal analysis (DSC-TG) has been used in the thermal characterisation of a specific type of PSAN containing 1.0% of NiO (stabilizing agent) and 0.5% of Petro (anti-caking agent) as additives. Repeated runs covering the nominal heating rate...

  8. TG-MS analysis and kinetic study for thermal decomposition of six representative components of municipal solid waste under steam atmosphere.

    Science.gov (United States)

    Zhang, Jinzhi; Chen, Tianju; Wu, Jingli; Wu, Jinhu

    2015-09-01

    Thermal decomposition of six representative components of municipal solid waste (MSW, including lignin, printing paper, cotton, rubber, polyvinyl chloride (PVC) and cabbage) was investigated by thermogravimetric-mass spectroscopy (TG-MS) under steam atmosphere. Compared with TG and derivative thermogravimetric (DTG) curves under N2 atmosphere, thermal decomposition of MSW components under steam atmosphere was divided into pyrolysis and gasification stages. In the pyrolysis stage, the shapes of TG and DTG curves under steam atmosphere were almost the same with those under N2 atmosphere. In the gasification stage, the presence of steam led to a greater mass loss because of the steam partial oxidation of char residue. The evolution profiles of H2, CH4, CO and CO2 were well consistent with DTG curves in terms of appearance of peaks and relevant stages in the whole temperature range, and the steam partial oxidation of char residue promoted the generation of more gas products in high temperature range. The multi-Gaussian distributed activation energy model (DAEM) was proved plausible to describe thermal decomposition behaviours of MSW components under steam atmosphere. Copyright © 2015 Elsevier Ltd. All rights reserved.

  9. Screening of hydrocarbons as supercritical ORCs working fluids by thermal stability

    International Nuclear Information System (INIS)

    Dai, Xiaoye; Shi, Lin; An, Qingsong; Qian, Weizhong

    2016-01-01

    Highlights: • A rapid evaluation method for thermal stability of hydrocarbons for ORCs. • Methane and hydrogen are confirmed to be decomposition indicators. • The decomposition temperatures for some hydrocarbons using the rapid method. • Long carbon chain hydrocarbons are not suitable for supercritical ORCs. - Abstract: Organic Rankine Cycle (ORC) systems are widely used for industrial waste heat recovery and renewable energy utilization. The supercritical ORC is currently one of the main development directions due to its low exergy loss, high thermal efficiency and high work output. The thermal stability is the major limitation of organic working fluid selection with high temperature heat sources. This paper presents a rapid experimental method for assessing the thermal stability of hydrocarbons for ORCs. The fluids were tested in a high temperature reactor with methane and hydrogen theoretically and experimentally confirmed to be the indicators of thermal decomposition. The thermal decomposition temperatures were obtained for n-hexane, n-pentane, isopentane, cyclopentane, n-butane and isobutane using the rapid experimental method. The results show that cycloalkanes are not the good choices by thermal stability and long carbon chain hydrocarbons (longer than C6) are not suitable for supercritical ORCs due to the thermal stability limitation.

  10. Does increasing pressure always accelerate the condensed material decay initiated through bimolecular reactions? A case of the thermal decomposition of TKX-50 at high pressures.

    Science.gov (United States)

    Lu, Zhipeng; Zeng, Qun; Xue, Xianggui; Zhang, Zengming; Nie, Fude; Zhang, Chaoyang

    2017-08-30

    Performances and behaviors under high temperature-high pressure conditions are fundamentals for many materials. We study in the present work the pressure effect on the thermal decomposition of a new energetic ionic salt (EIS), TKX-50, by confining samples in a diamond anvil cell, using Raman spectroscopy measurements and ab initio simulations. As a result, we find a quadratic increase in decomposition temperature (T d ) of TKX-50 with increasing pressure (P) (T d = 6.28P 2 + 12.94P + 493.33, T d and P in K and GPa, respectively, and R 2 = 0.995) and the decomposition under various pressures initiated by an intermolecular H-transfer reaction (a bimolecular reaction). Surprisingly, this finding is contrary to a general observation about the pressure effect on the decomposition of common energetic materials (EMs) composed of neutral molecules: increasing pressure will impede the decomposition if it starts from a bimolecular reaction. Our results also demonstrate that increasing pressure impedes the H-transfer via the enhanced long-range electrostatic repulsion of H +δ H +δ of neighboring NH 3 OH + , with blue shifts of the intermolecular H-bonds. And the subsequent decomposition of the H-transferred intermediates is also suppressed, because the decomposition proceeds from a bimolecular reaction to a unimolecular one, which is generally prevented by compression. These two factors are the basic root for which the decomposition retarded with increasing pressure of TKX-50. Therefore, our finding breaks through the previously proposed concept that, for the condensed materials, increasing pressure will accelerate the thermal decomposition initiated by bimolecular reactions, and reveals a distinct mechanism of the pressure effect on thermal decomposition. That is to say, increasing pressure does not always promote the condensed material decay initiated through bimolecular reactions. Moreover, such a mechanism may be feasible to other EISs due to the similar intermolecular

  11. A novel method for EMG decomposition based on matched filters

    Directory of Open Access Journals (Sweden)

    Ailton Luiz Dias Siqueira Júnior

    Full Text Available Introduction Decomposition of electromyography (EMG signals into the constituent motor unit action potentials (MUAPs can allow for deeper insights into the underlying processes associated with the neuromuscular system. The vast majority of the methods for EMG decomposition found in the literature depend on complex algorithms and specific instrumentation. As an attempt to contribute to solving these issues, we propose a method based on a bank of matched filters for the decomposition of EMG signals. Methods Four main units comprise our method: a bank of matched filters, a peak detector, a motor unit classifier and an overlapping resolution module. The system’s performance was evaluated with simulated and real EMG data. Classification accuracy was measured by comparing the responses of the system with known data from the simulator and with the annotations of a human expert. Results The results show that decomposition of non-overlapping MUAPs can be achieved with up to 99% accuracy for signals with up to 10 active motor units and a signal-to-noise ratio (SNR of 10 dB. For overlapping MUAPs with up to 10 motor units per signal and a SNR of 20 dB, the technique allows for correct classification of approximately 71% of the MUAPs. The method is capable of processing, decomposing and classifying a 50 ms window of data in less than 5 ms using a standard desktop computer. Conclusion This article contributes to the ongoing research on EMG decomposition by describing a novel technique capable of delivering high rates of success by means of a fast algorithm, suggesting its possible use in future real-time embedded applications, such as myoelectric prostheses control and biofeedback systems.

  12. Physicochemical Characterization and Thermal Decomposition of Garin Maiganga Coal

    Directory of Open Access Journals (Sweden)

    Nyakuma Bemgba Bevan

    2016-12-01

    Full Text Available The paper examined physicochemical and thermal characteristics of the newly discovered Garin Maiganga (GMG coal from Nigeria. The physicochemical characterization comprised of elemental, proximate, calorific value, and classification (rank analyses. Thermal analysis was examined using combined Thermogravimetric (TG and Derivative Thermogravimetric analyses (DTG. Hence, the coal was heated from 30°C to 1000°C at 20°C/min under inert conditions to examine its thermal degradation behaviour and temperature profile characteristics (TPC. The results indicated that the GMG coal fuel properties consist of low Ash, Nitrogen, and Sulphur content. Moisture content was > 5%, Volatile Matter > 50%, Fixed Carbon > 22%, and Heating Value (HHV 23.74 MJ/kg. Based on its fuel properties, the GMG coal can be classified as a Sub-Bituminous B, non-agglomerating low rank coal (LRC. The GMG coal TPCs – onset, peak, and offset temperatures – were 382.70°C, 454.60°C, and 527.80°C, respectively. The DTG profile revealed four (4 endothermic peaks corresponding to loss of moisture (drying, volatile matter (devolatization, and coke formation. The residual mass Rm was 50.16%, which indicates that higher temperatures above 1000°C are required for the complete pyrolytic decomposition of the GMG coal. In conclusion, the results indicate that the GMG coal is potentially suitable for future utilization in electric power generation and the manufacture of cement and steel.

  13. 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.

  14. Vibrational Order, Structural Properties, and Optical Gap of ZnO Nanostructures Sintered through Thermal Decomposition

    Directory of Open Access Journals (Sweden)

    Alejandra Londono-Calderon

    2014-01-01

    Full Text Available The sintering of different ZnO nanostructures by the thermal decomposition of zinc acetate is reported. Morphological changes from nanorods to nanoparticles are exhibited with the increase of the decomposition temperature from 300 to 500°C. The material showed a loss in the crystalline order with the increase in the temperature, which is correlated to the loss of oxygen due to the low heating rate used. Nanoparticles have a greater vibrational freedom than nanorods which is demonstrated in the rise of the main Raman mode E 2(high during the transformation. The energy band gap of the nanostructured material is lower than the ZnO bulk material and decreases with the rise in the temperature.

  15. Infrared absorption study of ammonium uranates and uranium oxide powders formed during their thermal decomposition

    International Nuclear Information System (INIS)

    Rofail, N.H.; ELfekey, S.A.

    1992-01-01

    Ammonium uranates (AU) were precipitated from a nuclear-pure uranyl nitrate solution using different precipitating agents. IR spectra of the obtained uranates and oxides formed during their thermal decomposition have been studied. The results indicated that the precipitating agent, mode of stirring, washing and calcining temperature are important factors for a specific oxide formation.4 FIG., 3 TAB

  16. Domain decomposition methods for mortar finite elements

    Energy Technology Data Exchange (ETDEWEB)

    Widlund, O.

    1996-12-31

    In the last few years, domain decomposition methods, previously developed and tested for standard finite element methods and elliptic problems, have been extended and modified to work for mortar and other nonconforming finite element methods. A survey will be given of work carried out jointly with Yves Achdou, Mario Casarin, Maksymilian Dryja and Yvon Maday. Results on the p- and h-p-version finite elements will also be discussed.

  17. A novel ECG data compression method based on adaptive Fourier decomposition

    Science.gov (United States)

    Tan, Chunyu; Zhang, Liming

    2017-12-01

    This paper presents a novel electrocardiogram (ECG) compression method based on adaptive Fourier decomposition (AFD). AFD is a newly developed signal decomposition approach, which can decompose a signal with fast convergence, and hence reconstruct ECG signals with high fidelity. Unlike most of the high performance algorithms, our method does not make use of any preprocessing operation before compression. Huffman coding is employed for further compression. Validated with 48 ECG recordings of MIT-BIH arrhythmia database, the proposed method achieves the compression ratio (CR) of 35.53 and the percentage root mean square difference (PRD) of 1.47% on average with N = 8 decomposition times and a robust PRD-CR relationship. The results demonstrate that the proposed method has a good performance compared with the state-of-the-art ECG compressors.

  18. Efficient decomposition and linearization methods for the stochastic transportation problem

    International Nuclear Information System (INIS)

    Holmberg, K.

    1993-01-01

    The stochastic transportation problem can be formulated as a convex transportation problem with nonlinear objective function and linear constraints. We compare several different methods based on decomposition techniques and linearization techniques for this problem, trying to find the most efficient method or combination of methods. We discuss and test a separable programming approach, the Frank-Wolfe method with and without modifications, the new technique of mean value cross decomposition and the more well known Lagrangian relaxation with subgradient optimization, as well as combinations of these approaches. Computational tests are presented, indicating that some new combination methods are quite efficient for large scale problems. (authors) (27 refs.)

  19. Thermal decomposition of UO3-2H20

    International Nuclear Information System (INIS)

    Flament, T.A.

    1998-01-01

    The first part of the report summarizes the literature data regarding the uranium trioxide water system. In the second part, the experimental aspects are presented. An experimental program has been set up to determine the steps and species involved in decomposition of uranium oxide di-hydrate. Particular attention has been paid to determine both loss of free water (moisture in the fuel) and loss of chemically bound water (decomposition of hydrates). The influence of water pressure on decomposition has been taken into account

  20. Domain decomposition methods for solving an image problem

    Energy Technology Data Exchange (ETDEWEB)

    Tsui, W.K.; Tong, C.S. [Hong Kong Baptist College (Hong Kong)

    1994-12-31

    The domain decomposition method is a technique to break up a problem so that ensuing sub-problems can be solved on a parallel computer. In order to improve the convergence rate of the capacitance systems, pre-conditioned conjugate gradient methods are commonly used. In the last decade, most of the efficient preconditioners are based on elliptic partial differential equations which are particularly useful for solving elliptic partial differential equations. In this paper, the authors apply the so called covering preconditioner, which is based on the information of the operator under investigation. Therefore, it is good for various kinds of applications, specifically, they shall apply the preconditioned domain decomposition method for solving an image restoration problem. The image restoration problem is to extract an original image which has been degraded by a known convolution process and additive Gaussian noise.

  1. Development of a ReaxFF reactive force field for ammonium nitrate and application to shock compression and thermal decomposition.

    Science.gov (United States)

    Shan, Tzu-Ray; van Duin, Adri C T; Thompson, Aidan P

    2014-02-27

    We have developed a new ReaxFF reactive force field parametrization for ammonium nitrate. Starting with an existing nitramine/TATB ReaxFF parametrization, we optimized it to reproduce electronic structure calculations for dissociation barriers, heats of formation, and crystal structure properties of ammonium nitrate phases. We have used it to predict the isothermal pressure-volume curve and the unreacted principal Hugoniot states. The predicted isothermal pressure-volume curve for phase IV solid ammonium nitrate agreed with electronic structure calculations and experimental data within 10% error for the considered range of compression. The predicted unreacted principal Hugoniot states were approximately 17% stiffer than experimental measurements. We then simulated thermal decomposition during heating to 2500 K. Thermal decomposition pathways agreed with experimental findings.

  2. An ab initio molecular dynamics study of thermal decomposition of 3,6-di(azido)-1,2,4,5-tetrazine.

    Science.gov (United States)

    Wu, Qiong; Zhu, Weihua; Xiao, Heming

    2014-10-21

    Ab initio molecular dynamics simulations were performed to study the thermal decomposition of isolated and crystal 3,6-di(azido)-1,2,4,5-tetrazine (DiAT). During unimolecular decomposition, the three different initiation mechanisms were observed to be N-N2 cleavage, ring opening, and isomerization, respectively. The preferential initial decomposition step is the homolysis of the N-N2 bond in the azido group. The release mechanisms of nitrogen gas are found to be very different in the early and later decomposition stages of crystal DiAT. In the early decomposition, DiAT decomposes very fast and drastically without forming any stable long-chains or heterocyclic clusters, and most of the nitrogen gases are released through rapid rupture of nitrogen-nitrogen and carbon-nitrogen bonds. But in the later decomposition stage, the release of nitrogen gas is inhibited due to low mobility, long distance from each other, and strong carbon-nitrogen bonds. To overcome the obstacles, the nitrogen gases are released through slow formation and disintegration of polycyclic networks. Our simulations suggest a new decomposition mechanism for the organic polyazido initial explosive at the atomistic level.

  3. Pressure Dependent Decomposition Kinetics of the Energetic Material HMX up to 3.6 GPa

    Energy Technology Data Exchange (ETDEWEB)

    Glascoe, E A; Zaug, J M; Burnham, A K

    2009-05-29

    The effect of pressure on the thermal decomposition rate of the energetic material HMX was studied. HMX was precompressed in a diamond anvil cell (DAC) and heated at various rates. The parent species population was monitored as a function of time and temperature using Fourier transform infrared (FTIR) spectroscopy. Decomposition rates were determined by fitting the fraction reacted to the extended-Prout-Tompkins nucleation-growth model and the Friedman isoconversional method. The results of these experiments and analysis indicate that pressure accelerates the decomposition at low to moderate pressures (i.e. between ambient pressure and 1 GPa) and decelerates the decomposition at higher pressures. The decomposition acceleration is attributed to pressure enhanced autocatalysis whereas the deceleration at high pressures is attributed pressure inhibiting bond homolysis step(s), which would result in an increase in volume. These results indicate that both {beta} and {delta} phase HMX are sensitive to pressure in the thermally induced decomposition kinetics.

  4. Solar production of catalytic filamentous carbon by thermal decomposition of hydrocarbons and carbon monoxide

    Energy Technology Data Exchange (ETDEWEB)

    Kirillov, V A; Kuvshinov, G G; Mogilnykh, Yu I [Boreskov Institute of Catalysis, Novosibirsk (Russian Federation); Reller, A [University of Hamburg (Germany); Steinfeld, A; Weidenkaff, A; Meier, A [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1999-08-01

    Concentrated solar radiation was used as the clean source of process heat for the production of Catalytic Filamentous Carbon (CFC) by thermal decomposition of gaseous hydrocarbons and by CO disproportionation in the presence of small metal catalyst particles. Depending on the catalyst, two different types of CFC, namely nano tubes and nano fibers, were obtained in solar experiments at the PSI solar furnace. (author) 2 figs., 1 tab., 7 refs.

  5. Fabrication of porous MgCo2O4 with rod-like morphology and its superb catalytic activity towards ammonium perchlorate thermal decomposition

    Science.gov (United States)

    Li, Gang; Liu, Xiaoli; Bai, Weiyang

    2018-03-01

    In this paper, porous MgCo2O4 with rod-like morphology was successfully synthesized through the thermal treatment of metal oxalates precursor originated by the reaction of metal sulfates and oxalic acid, without the addition of other additives. The porous rod-like MgCo2O4, with a diameter of several hundred nanometers and a length of several micrometers, was formed through the agglomeration of numerous crystalline grains sized in 10–25 nm. Its catalytic effect on ammonium perchlorate (AP) thermal decomposition was evaluated using differential scanning calorimetry (DSC) techniques. It was found that the pyrolysis temperature of AP reduced by 129 °C and the heat release increased more than 3.19-fold with a 2 wt% addition of MgCo2O4. Meanwhile, the addition of MgCo2O4 resulted in an AP decomposition activation energy reduction from 216 kJ mol‑1 to 155 kJ mol‑1, calculated using the Kissinger correlation. This study provides new insights into the design and development of high performance catalysts for AP thermal decomposition.

  6. COMPOSITE POLYMERICADDITIVESDESIGNATED FORCONCRETEMIXES BASED ONPOLYACRYLATES, PRODUCTS OF THERMAL DECOMPOSITION OF POLYAMIDE-6 AND LOW-MOLECULAR POLYETHYLENE

    Directory of Open Access Journals (Sweden)

    Polyakov Vyacheslav Sergeevich

    2012-07-01

    4 the optimal composite additive that increases the time period of stiffening of the cement grout , improves the water resistance and the compressive strength of concrete, represents the composition of polyacrylates and polymethacrylates, products of thermal decomposition of polyamide-6 and low-molecular polyethylene in the weight ratio of 1:1:0.5.

  7. Information decomposition method to analyze symbolical sequences

    International Nuclear Information System (INIS)

    Korotkov, E.V.; Korotkova, M.A.; Kudryashov, N.A.

    2003-01-01

    The information decomposition (ID) method to analyze symbolical sequences is presented. This method allows us to reveal a latent periodicity of any symbolical sequence. The ID method is shown to have advantages in comparison with application of the Fourier transformation, the wavelet transform and the dynamic programming method to look for latent periodicity. Examples of the latent periods for poetic texts, DNA sequences and amino acids are presented. Possible origin of a latent periodicity for different symbolical sequences is discussed

  8. Influence of thermal-decomposition temperatures on structures and properties of V2O5 as cathode materials for lithium ion battery

    Directory of Open Access Journals (Sweden)

    Yu Chen

    2015-02-01

    Full Text Available Submicron spherical V2O5 particles with a uniform size and a lower crystallinity were successfully synthesized by a chemical precipitation-thermal decomposition technique using the commercial V2O5 powders as starting material. The crystal structure and grain morphology of samples were characterized by X-ray diffraction (XRD and scanning electron microscopy (SEM, respectively. Electrochemical testing such as discharge–charge cycling (CD and cyclic voltammetry (CV were employed in evaluating their electrochemical properties as cathode materials for lithium ion battery. Results reveal that the crystallinity and crystalline size of V2O5 particles increased when the thermal-decomposition temperature increased from 400 °C to 500 °C, and their adhesiveness was also synchronously increased. This indicate that the thermal-decomposition temperature palyed a significant influence on electrochemical properties of V2O5 cathodes. The V2O5 sample obtained at 400 °C delivered not only a high initial discharge capacity of 330 mA h g−1 and also the good cycle stability during 50 cycles due to its higher values of α in crystal structure and better dispersity in grain morphology.

  9. Direct Iron Coating onto Nd-Fe-B Powder by Thermal Decomposition of Iron Pentacarbonyl

    International Nuclear Information System (INIS)

    Yamamuro, S; Okano, M; Tanaka, T; Sumiyama, K; Nozawa, N; Nishiuchi, T; Hirosawa, S; Ohkubo, T

    2011-01-01

    Iron-coated Nd-Fe-B composite powder was prepared by thermal decomposition of iron pentacarbonyl in an inert organic solvent in the presence of alkylamine. Though this method is based on a modified solution-phase process to synthesize highly size-controlled iron nanoparticles, it is in turn featured by a suppressed formation of iron nanoparticles to achieve an efficient iron coating solely onto the surfaces of rare-earth magnet powder. The Nd-Fe-B magnetic powder was successfully coated by iron shells whose thicknesses were of the order of submicrometer to micrometer, being tuneable by the amount of initially loaded iron pentacarbonyl in a reaction flask. The amount of the coated iron reached to more than 10 wt.% of the initial Nd-Fe-B magnetic powder, which is practically sufficient to fabricate Nd-Fe-B/α-Fe nanocomposite permanent magnets.

  10. In-situ and self-distributed: A new understanding on catalyzed thermal decomposition process of ammonium perchlorate over Nd{sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Zou, Min, E-mail: zoumin3362765@163.com; Wang, Xin, E-mail: wangx@mail.njust.edu.cn; Jiang, Xiaohong, E-mail: jxh0668@sina.com; Lu, Lude, E-mail: lulude17@yahoo.com

    2014-05-01

    Catalyzed thermal decomposition process of ammonium perchlorate (AP) over neodymium oxide (Nd{sub 2}O{sub 3}) was investigated. Catalytic performances of nanometer-sized Nd{sub 2}O{sub 3} and micrometer-sized Nd{sub 2}O{sub 3} were evaluated by differential scanning calorimetry (DSC). In contrast to universal concepts, catalysts in different sizes have nearly similar catalytic activities. Based on structural and morphological variation of the catalysts during the reaction, combined with mass spectrum analyses and studies of unmixed style, a new understanding of this catalytic process was proposed. We believed that the newly formed chloride neodymium oxide (NdOCl) was the real catalytic species in the overall thermal decomposition of AP over Nd{sub 2}O{sub 3}. Meanwhile, it was the “self-distributed” procedure which occurred within the reaction that also worked for the improvement of overall catalytic activities. This work is of great value in understanding the roles of micrometer-sized catalysts used in heterogeneous reactions, especially the solid–solid reactions which could generate a large quantity of gaseous species. - Graphical abstract: In-situ and self-distributed reaction process in thermal decomposition of AP catalyzed by Nd{sub 2}O{sub 3}. - Highlights: • Micro- and nano-Nd{sub 2}O{sub 3} for catalytic thermal decomposition of AP. • No essential differences on their catalytic performances. • Structural and morphological variation of catalysts digs out catalytic mechanism. • This catalytic process is “in-situ and self-distributed” one.

  11. Decomposition of dioxin analogues and ablation study for carbon nanotube

    International Nuclear Information System (INIS)

    Yamauchi, Toshihiko

    2002-01-01

    Two application studies associated with the free electron laser are presented separately, which are the titles of 'Decomposition of Dioxin Analogues' and 'Ablation Study for Carbon Nanotube'. The decomposition of dioxin analogues by infrared (IR) laser irradiation includes the thermal destruction and multiple-photon dissociation. It is important for us to choose the highly absorbable laser wavelength for the decomposition. The thermal decomposition takes place by the irradiation of the low IR laser power. Considering the model of thermal decomposition, it is proposed that adjacent water molecules assist the decomposition of dioxin analogues in addition to the thermal decomposition by the direct laser absorption. The laser ablation study is performed for the aim of a carbon nanotube synthesis. The vapor by the ablation is weakly ionized in the power of several-hundred megawatts. The plasma internal energy is kept over an 8.5 times longer than the vacuum. The cluster was produced from the weakly ionized gas in the enclosed gas, which is composed of the rough particles in the low power laser more than the high power which is composed of the fine particles. (J.P.N.)

  12. Non-isothermal decomposition kinetics, heat capacity and thermal safety of 37.2/44/16/2.2/0.2/0.4-GAP/CL-20/Al/N-100/PCA/auxiliaries mixture

    International Nuclear Information System (INIS)

    Zhang, Jiao-Qiang; Gao, Hong-Xu; Ji, Tie-Zheng; Xu, Kang-Zhen; Hu, Rong-Zu

    2011-01-01

    Highlights: → Non-isothermal decomposition kinetics, heat capacity and thermal safety on 37.2/44/16/2.2/0.2/0.4-GAP/CL-20/Al/N-100/PCA/auxiliaries mixture. → Apparent activation energy and pre-exponential constant obtained. → Thermal explosion temperature, adiabatic time-to-explosion, 50% drop height of impact sensitivity, and critical temperature of hot-spot initiation calculated. - Abstract: The specific heat capacity (C p ) of 37.2/44/16/2.2/0.2/0.4-GAP/CL-20/Al/N-100/PCA/auxiliaries mixture was determined with the continuous C p mode of microcalorimeter. The equation of C p with temperature was obtained. The standard molar heat capacity of GAP/CL-20/Al/N-100/PCA/auxiliaries mixture was 1.225 J mol -1 K -1 at 298.15 K. With the help of the peak temperature (T p ) from the non-isothermal DTG curves of the mixture at different heating rates (β), the apparent activation energy (E k and E o ) and pre-exponential constant (A K ) of thermal decomposition reaction obtained by Kissinger's method and Ozawa's method. Using density (ρ) and thermal conductivity (λ), the decomposition heat (Q d , taking half-explosion heat), Zhang-Hu-Xie-Li's formula, the values (T e0 and T p0 ) of T e and T p corresponding to β → 0, thermal explosion temperature (T be and T bp ), adiabatic time-to-explosion (t TIad ), 50% drop height (H 50 ) of impact sensitivity, and critical temperature of hot-spot initiation (T cr,hotspot ) of thermal explosion of the mixture were calculated. The following results of evaluating the thermal safety of the mixture were obtained: T be = 441.64 K, T bp = 461.66 K, t Tlad = 78.0 s (n = 2), t Tlad = 74.87s (n = 1), t Tlad = 71.85 s (n = 0), H 50 = 21.33 cm.

  13. Safety demonstration tests on thermal decomposition of nitrated solvent with nitric acid in nuclear fuel reprocessing plants. Contract research

    International Nuclear Information System (INIS)

    Tsukamoto, Michio; Takada, Junichi; Koike, Tadao; Watanabe, Koji; Uchiyama, Gunzou; Nishio, Gunji; Murata, Mikio

    2001-03-01

    The demonstration tests were conducted to investigate the safety of the ventilation system and integrity of the HEPA filters under the design basis accident (DBA) of the evaporator in the reprocessing plants. The tests were carried out by heating organic solvent (TBP/n- dodecane) mixed with nitric acid in a sealed vessel. It was possible to cause an explosive decomposition of TBP-complex formed by nitration of the solvent with nitric acid. The following was obtained by the analysis of the experimental results of the tests. From derivation by the experimental method, data on the maximum mass release rate and the maximum energy release rate in the explosion, as the solvent of 1 [kg] spouted out by the thermal decomposition, were obtained. They were 0.59 [kg/s] and 3240.3 [kJ/kg·s] respectively. The influence given on the cell ventilation system by this explosion was small and it was demonstrated that the safety of the HEPA filters could be secured. (author)

  14. An Efficient Approach for Pixel Decomposition to Increase the Spatial Resolution of Land Surface Temperature Images from MODIS Thermal Infrared Band Data

    Directory of Open Access Journals (Sweden)

    Fei Wang

    2014-12-01

    Full Text Available Land surface temperature (LST images retrieved from the thermal infrared (TIR band data of Moderate Resolution Imaging Spectroradiometer (MODIS have much lower spatial resolution than the MODIS visible and near-infrared (VNIR band data. The coarse pixel scale of MODIS LST images (1000 m under nadir have limited their capability in applying to many studies required high spatial resolution in comparison of the MODIS VNIR band data with pixel scale of 250–500 m. In this paper we intend to develop an efficient approach for pixel decomposition to increase the spatial resolution of MODIS LST image using the VNIR band data as assistance. The unique feature of this approach is to maintain the thermal radiance of parent pixels in the MODIS LST image unchanged after they are decomposed into the sub-pixels in the resulted image. There are two important steps in the decomposition: initial temperature estimation and final temperature determination. Therefore the approach can be termed double-step pixel decomposition (DSPD. Both steps involve a series of procedures to achieve the final result of decomposed LST image, including classification of the surface patterns, establishment of LST change with normalized difference of vegetation index (NDVI and building index (NDBI, reversion of LST into thermal radiance through Planck equation, and computation of weights for the sub-pixels of the resulted image. Since the Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER with much higher spatial resolution than MODIS data was on-board the same platform (Terra as MODIS for Earth observation, an experiment had been done in the study to validate the accuracy and efficiency of our approach for pixel decomposition. The ASTER LST image was used as the reference to compare with the decomposed LST image. The result showed that the spatial distribution of the decomposed LST image was very similar to that of the ASTER LST image with a root mean square error

  15. An efficient approach for pixel decomposition to increase the spatial resolution of land surface temperature images from MODIS thermal infrared band data.

    Science.gov (United States)

    Wang, Fei; Qin, Zhihao; Li, Wenjuan; Song, Caiying; Karnieli, Arnon; Zhao, Shuhe

    2014-12-25

    Land surface temperature (LST) images retrieved from the thermal infrared (TIR) band data of Moderate Resolution Imaging Spectroradiometer (MODIS) have much lower spatial resolution than the MODIS visible and near-infrared (VNIR) band data. The coarse pixel scale of MODIS LST images (1000 m under nadir) have limited their capability in applying to many studies required high spatial resolution in comparison of the MODIS VNIR band data with pixel scale of 250-500 m. In this paper we intend to develop an efficient approach for pixel decomposition to increase the spatial resolution of MODIS LST image using the VNIR band data as assistance. The unique feature of this approach is to maintain the thermal radiance of parent pixels in the MODIS LST image unchanged after they are decomposed into the sub-pixels in the resulted image. There are two important steps in the decomposition: initial temperature estimation and final temperature determination. Therefore the approach can be termed double-step pixel decomposition (DSPD). Both steps involve a series of procedures to achieve the final result of decomposed LST image, including classification of the surface patterns, establishment of LST change with normalized difference of vegetation index (NDVI) and building index (NDBI), reversion of LST into thermal radiance through Planck equation, and computation of weights for the sub-pixels of the resulted image. Since the Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) with much higher spatial resolution than MODIS data was on-board the same platform (Terra) as MODIS for Earth observation, an experiment had been done in the study to validate the accuracy and efficiency of our approach for pixel decomposition. The ASTER LST image was used as the reference to compare with the decomposed LST image. The result showed that the spatial distribution of the decomposed LST image was very similar to that of the ASTER LST image with a root mean square error (RMSE) of 2

  16. The glassy behaviour of poorly crystalline Fe2O3 nanorods obtained by thermal decomposition of ferrous oxalate

    Czech Academy of Sciences Publication Activity Database

    Perović, M.; Kusigerski, V.; Mrakovic, A.; Spasojevic, V.; Blanusa, J.; Nikolic, V.; Schneeweiss, Oldřich; David, Bohumil; Pizúrová, Naděžda

    2015-01-01

    Roč. 26, č. 11 (2015), Art. n. 115705 ISSN 0957-4484 Institutional support: RVO:68081723 Keywords : Thermal decomposition * Nanorods * Iron oxide * Spin glass like * Memory effects Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.573, year: 2015

  17. Numerical Investigation of AdBlue Droplet Evaporation and Thermal Decomposition in the Context of NOx-SCR Using a Multi-Component Evaporation Model

    Directory of Open Access Journals (Sweden)

    Kaushal Nishad

    2018-01-01

    Full Text Available To cope with the progressive tightening of the emission regulations, gasoline and diesel engines will continuously require highly improved exhaust after-treatment systems. In the case of diesel engines, the selective catalytic reduction (SCR appears as one of the widely adopted technologies to reduce NOx (nitrogen oxides emissions. Thereby, with the help of available heat from exhaust gas, the injected urea–water solution (UWS turns inside the exhaust port immediately into gaseous ammonia (NH3 by evaporation of mixture and thermal decomposition of urea. The reaction and conversion efficiency mostly depend upon the evaporation and subsequent mixing of the NH3 into the exhaust gas, which in turn depends upon the engine loading conditions. Up to now, the aggregation of urea after evaporation of water and during the thermal decomposition of urea is not clearly understood. Hence, various scenarios for the urea depletion in the gaseous phase that can be envisaged have to be appraised under SCR operating conditions relying on an appropriate evaporation description. The objective of the present paper is therefore fourfold. First, a reliable multi-component evaporation model that includes a proper binary diffusion coefficient is developed for the first time in the Euler–Lagrangian CFD (computational fluid dynamics framework to account properly for the distinct evaporation regimes of adBlue droplets under various operating conditions. Second, this model is extended for thermal decomposition of urea in the gaseous phase, where, depending on how the heat of thermal decomposition of urea is provided, different scenarios are considered. Third, since the evaporation model at and around the droplet surface is based on a gas film approach, how the material properties are evaluated in the film influences the process results is reported, also for the first time. Finally, the impact of various ambient temperatures on the adBlue droplet depletion characteristics

  18. Influence of synthesis experimental parameters on the formation of nanoparticles of magnetite prepared by thermal decomposition method

    International Nuclear Information System (INIS)

    Vega, Jaime; Picasso, Gino; Lopez, Alcides; Aviles Felix, Luis

    2013-01-01

    In this work, nanoparticles based on magnetite have been synthesized by thermal decomposition via solvent-controlled synthesis in polyols, using triethylene glycol (TREG). The starting precursor were solutions of nitrate and acetylacetonate of Fe. The samples have been characterized by X-ray diffraction technique (XRD), adsorption-desorption of N 2 (BET equation model), scanning electronic microscopy (SEM), thermogravimetric analysis (TGA), vibration sample magnetometry (VSM) and Moessbauer spectroscopy. XRD diffractogram revealed the majority presence of spinel-like structural phases of magnetite in all samples. SEM micrographs showed morphological differences; the samples prepared from acetylacetonate presented good dispersion of particles whereas the ones prepared from nitrate-small agglomerations. BET isotherms of samples depicted a mesoporous profile which corresponded to IV type. TGA thermogram showed two defined regions which corresponded to vaporization of polyol light fractions and TREG. Zero coercivity on the magnetization curve of acetylacetonate precursor samples have been observed by VSM, which indicates superparamagnetic behavior. Moessbauer spectra of samples detected the presence of 4 doublet-like subspectra due to the presence of 4 sites occupied by Fe in paramagnetic or superparamagnetic state. (author)

  19. Thermal and X-ray diffraction analysis studies during the decomposition of ammonium uranyl nitrate

    OpenAIRE

    Kim, B. H.; Lee, Y. B.; Prelas, M. A.; Ghosh, T. K.

    2012-01-01

    Two types of ammonium uranyl nitrate (NH4)2UO2(NO3)4?2H2O and NH4UO2(NO3)3, were thermally decomposed and reduced in a TG-DTA unit in nitrogen, air, and hydrogen atmospheres. Various intermediate phases produced by the thermal decomposition and reduction process were investigated by an X-ray diffraction analysis and a TG/DTA analysis. Both (NH4)2UO2(NO3)4?2H2O and NH4UO2(NO3)3 decomposed to amorphous UO3 regardless of the atmosphere used. The amorphous UO3 from (NH4)2UO2(NO3)4?2H2O was crysta...

  20. Evolution of different morphologies of CdS nanoparticles by thermal decomposition of bis(thiourea)cadmium chloride in various solvents

    International Nuclear Information System (INIS)

    Gaur, Rama; Jeevanandam, P.

    2015-01-01

    CdS nanoparticles with different morphologies have been synthesized by thermal decomposition of bis(thiourea)cadmium chloride in different solvents without the use of any ligand/surfactant. CdS nanoparticles with pyramid, sponge-like and hexagonal disc-like morphologies were obtained in diphenyl ether (DPE), 1-octadecene (ODE) and ethylene glycol (EG), respectively. In addition, CdS nanoparticles with unique morphologies were obtained when the decomposition of the complex was carried out in mixed solvents (DPE–EG and ODE–EG). Extensive characterization of the CdS nanoparticles was carried out using powder X-ray diffraction, FT-IR spectroscopy, thermal analysis, field-emission scanning electron microscopy, diffuse reflectance spectroscopy and photoluminescence spectroscopy, and detailed mechanism of the formation of CdS nanoparticles with different morphologies in various solvents has been proposed

  1. Green synthesis of Co{sub 3}O{sub 4} nanoparticles and their applications in thermal decomposition of ammonium perchlorate and dye-sensitized solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, J.K. [Department of Chemistry, Deen Dayal Upadhyay Gorakhpur University, Gorakhpur (India); Srivastava, Pratibha, E-mail: author.pratibhas1980@gmail.com [Department of Chemistry, Deen Dayal Upadhyay Gorakhpur University, Gorakhpur (India); Singh, Gurdip [Department of Chemistry, Deen Dayal Upadhyay Gorakhpur University, Gorakhpur (India); Akhtar, M. Shaheer [New & Renewable Energy Material Development Center (NewREC), Chonbuk National University, Jeonbuk (Korea, Republic of); Ameen, S. [Energy Materials & Surface Science Laboratory, Solar Energy Research Center, School of Chemical Engineering, Chonbuk National University, Jeonju 561-756 (Korea, Republic of)

    2015-03-15

    Graphical abstract: - Highlights: • Co{sub 3}O{sub 4} NPs were synthesized from the leaves extract of plant Calotropis gigantea. • Green synthesis of Co{sub 3}O{sub 4} NPs is a cost effective and eco-friendly route. • Faster thermal decomposition of AP occurred in presence of the green synthesized Co{sub 3}O{sub 4} NPs. • A high burning rate of CSP was observed. • Green synthesized Co{sub 3}O{sub 4} NPs displays the good electrocatalytic activity to reduction of I{sub 3}{sup −} to I{sup −} ions. - Abstract: In this paper, we report on the green synthesis of cobalt oxide nanoparticles (Co{sub 3}O{sub 4} NPs) using leaves extract of plant Calotropis gigantea and characterize by X-ray diffraction (XRD), UV–vis spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy (EDX). The green synthesized Co{sub 3}O{sub 4} NPs showed excellent catalytic effect on the thermal decomposition of ammonium perchlorate (AP) and burning rate of composite solid propellants (CSPs). Kinetics of slow and rapid thermal decomposition has been investigated by isoconversional and ignition delay methods, respectively. Moreover, the electrocatalytic performance of green synthesized Co{sub 3}O{sub 4} NPs in dye-sensitized solar cells (DSSC) has also been evaluated. The cyclic voltametry measurement shows good electrocatalytic activity of Co{sub 3}O{sub 4} NPs toward the reduction of I{sub 3}{sup −} to I{sup −} ions.

  2. Transient Thermal Analysis of 3-D Integrated Circuits Packages by the DGTD Method

    KAUST Repository

    Li, Ping

    2017-03-11

    Since accurate thermal analysis plays a critical role in the thermal design and management of the 3-D system-level integration, in this paper, a discontinuous Galerkin time-domain (DGTD) algorithm is proposed to achieve this purpose. Such as the parabolic partial differential equation (PDE), the transient thermal equation cannot be directly solved by the DGTD method. To address this issue, the heat flux, as an auxiliary variable, is introduced to reduce the Laplace operator to a divergence operator. The resulting PDE is hyperbolic, which can be further written into a conservative form. By properly choosing the definition of the numerical flux used for the information exchange between neighboring elements, the hyperbolic thermal PDE can be solved by the DGTD together with the auxiliary differential equation. The proposed algorithm is a kind of element-level domain decomposition method, which is suitable to deal with multiscale geometries in 3-D integrated systems. To verify the accuracy and robustness of the developed DGTD algorithm, several representative examples are benchmarked.

  3. Thermal decomposition of uranyl nitrate hexahydrate. Study of intermediate reaction products; Decomposition thermique du nitrate d'uranyle hexahydrate etude des intermediaires de cette decomposition

    Energy Technology Data Exchange (ETDEWEB)

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

    1970-07-01

    The thermal decomposition of uranyl nitrate hexahydrate has been carried but at constant pressure and constant rate of reaction. The following intermediary products have been shown to exist and isolated: UO{sub 2}(NO{sub 3}){sub 2}.3H{sub 2}O; UO{sub 2}(NO{sub 3}){sub 2}. 2H{sub 2}O; UO{sub 2}(NO{sub 3}){sub 2}. H{sub 2}O; UO{sub 2}(NO{sub 3}){sub 2} and UO{sub 3}. These products, together with the hexahydrate UO{sub 2} (NO{sub 3}){sub 2}.6H{sub 2}O, have been studied by: - X-ray diffraction, using the Debye-Scherrer method.- infra-red spectrography: determination of the type of bonding for the water and the nitrate groups. - nuclear magnetic resonance: study of the mobility of water molecules. The main results concern: - the water molecule bonds in the series of hydrates with 6.3 and 2 H{sub 2}O. - isolation and characterization of uranyl nitrate monohydrate, together with the determination of its molecular structure. - the mobility of the water molecules in the series of the hydrates with 6.3 and 2 H{sub 2}O. An analysis is made of the complementary results given by infra-red spectroscopy and nuclear magnetic resonance; they are interpreted for the whole of the hydrate series. [French] La decomposition thermique du nitrate d'uranyle hexahydrate a ete effectuee en operant a pression et vitesse de decomposition constantes. Les produits intermediaires suivants ont ete mis en evidence et isoles: UO{sub 2}(NO{sub 3}){sub 2}, 3H{sub 2}O; UO{sub 2}(NO{sub 3}){sub 2}, 2H{sub 2}O; UO{sub 2}(NO{sub 3}){sub 2},H{sub 2}O; UO{sub 2}(NO{sub 3}){sub 2} et UO{sub 3}. Ces composes, ainsi que l'hexahydrate UO{sub 2}(NO{sub 3} ){sub 2}, 6H{sub 2}O ont ete etudies par: - diffraction des rayons X, selon la methode Debye-Scherrer.- spectrographie infra-rouge: determination des modes de liaison de l'eau et des groupements nitrate. - resonance magnetique nucleaire: etude de la mobilite des molecules d'eau. Les principaux resultats portent sur: - les liaisons des molecules d'eau dans la

  4. Thermodynamics and kinetics of thermal decomposition of dibutylalkyl and dipentylalkyl phosphonate-nitric acid systems

    International Nuclear Information System (INIS)

    Chandran, K.; Brahmananda, C.V.S.; Anthonysamy, S.; Srinivasan, T.G.; Ganesan, V.

    2013-01-01

    Tributyl phosphate (TBP) is used in the reprocessing industry for the separation of uranium and plutonium from the spent nuclear fuels by PUREX process. A variety of dialkylalky/phosphonates were synthesised and their extraction behaviour on actinides was studied in this laboratory. The superior extraction characteristics of phosphonates make them useful for several metal recovery applications in the nuclear fuel cycle. However, higher solubility of phosphonates in aqueous phase as compared to TBP, introduces higher chances of the formation of thermally active 'red oil' like substances during the evaporation of aqueous streams. Thermal stability of neat and nitric acid solvated homologues of four dibutylalkyl phosphonates namely, dibutylpropyl phosphonate (DBPrP), dibutylbutyl phosphonate (DBBP), dibutylpentyl phosphonate (DBPP), dibutylhexyl phosphonate (DBHeP), and two dipentylalkyl phosphonates viz. dipentylbutyl phosphonate (DPBP), dipentylhexyl phosphonate (DPHeP) were studied. Experiments were conducted using an adiabatic calorimeter in heat-wait-search mode. Various stoichiometry of nitric acid-solvated DBalP and DPalP were prepared by equilibrating the respective organic with 4-15.6 M nitric acid followed by separation. Neat DBalP and DPalP are stable up to the temperature of ∼ 555 K while their acid-solvates decomposed in the temperature range 380-403 K. The results also indicated that the presence of nitric acid accelerated the decomposition of phosphonates. Decomposition of these acid solvated phosphonates is found to be exothermic and follows first order kinetics. The onset temperature, adiabatic temperature rise, pressure rise, decomposition enthalpy and activation energy were found to strongly depend on the nitric acid content of the acid-solvates. The studies also indicate that dibutylalkyl and dipentylalkyl phosphonates are also prone to form 'red oil' like substances under extreme conditions and can lead to run-away reactions

  5. Toxicological Implications of Released Particulate Matter during Thermal Decomposition of Nano-Enabled Thermoplastics.

    Science.gov (United States)

    Watson-Wright, Christa; Singh, Dilpreet; Demokritou, Philip

    2017-01-01

    Nano-enabled thermoplastics are part of the growing market of nano-enabled products (NEPs) that have vast utility in several industries and consumer goods. The use and disposal of NEPs at their end of life has raised concerns about the potential release of constituent engineered nanomaterials (ENMs) during thermal decomposition and their impact on environmental health and safety. To investigate this issue, industrially relevant nano-enabled thermoplastics including polyurethane, polycarbonate, and polypropylene containing carbon nanotubes (0.1 and 3% w/v, respectively), polyethylene containing nanoscale iron oxide (5% w/v), and ethylene vinyl acetate containing nanoscale titania (2 and 5% w/v) along with their pure thermoplastic matrices were thermally decomposed using the recently developed lab based Integrated Exposure Generation System (INEXS). The life cycle released particulate matter (called LCPM) was monitored using real time instrumentation, size fractionated, sampled, extracted and prepared for toxicological analysis using primary small airway epithelial cells to assess potential toxicological effects. Various cellular assays were used to assess reactive oxygen species and total glutathione as measurements of oxidative stress along with mitochondrial function, cellular viability, and DNA damage. By comparing toxicological profiles of LCPM released from polymer only (control) with nano-enabled LCPM, potential nanofiller effects due to the use of ENMs were determined. We observed associations between NEP properties such as the percent nanofiller loading, host matrix, and nanofiller chemical composition and the physico-chemical properties of released LCPM, which were linked to biological outcomes. More specifically, an increase in percent nanofiller loading promoted a toxicological response independent of increasing LCPM dose. Importantly, differences in host matrix and nanofiller composition were shown to enhance biological activity and toxicity of LCPM

  6. Thermal decomposition of [Co(en)3][Fe(CN)6]∙ 2H2O: Topotactic dehydration process, valence and spin exchange mechanism elucidation.

    Science.gov (United States)

    Trávníček, Zdeněk; Zbořil, Radek; Matiková-Maľarová, Miroslava; Drahoš, Bohuslav; Cernák, Juraj

    2013-01-01

    The Prussian blue analogues represent well-known and extensively studied group of coordination species which has many remarkable applications due to their ion-exchange, electron transfer or magnetic properties. Among them, Co-Fe Prussian blue analogues have been extensively studied due to the photoinduced magnetization. Surprisingly, their suitability as precursors for solid-state synthesis of magnetic nanoparticles is almost unexplored. In this paper, the mechanism of thermal decomposition of [Co(en)3][Fe(CN)6] ∙∙ 2H2O (1a) is elucidated, including the topotactic dehydration, valence and spins exchange mechanisms suggestion and the formation of a mixture of CoFe2O4-Co3O4 (3:1) as final products of thermal degradation. The course of thermal decomposition of 1a in air atmosphere up to 600°C was monitored by TG/DSC techniques, (57)Fe Mössbauer and IR spectroscopy. As first, the topotactic dehydration of 1a to the hemihydrate [Co(en)3][Fe(CN)6] ∙∙ 1/2H2O (1b) occurred with preserving the single-crystal character as was confirmed by the X-ray diffraction analysis. The consequent thermal decomposition proceeded in further four stages including intermediates varying in valence and spin states of both transition metal ions in their structures, i.e. [Fe(II)(en)2(μ-NC)Co(III)(CN)4], Fe(III)(NH2CH2CH3)2(μ-NC)2Co(II)(CN)3] and Fe(III)[Co(II)(CN)5], which were suggested mainly from (57)Fe Mössbauer, IR spectral and elemental analyses data. Thermal decomposition was completed at 400°C when superparamagnetic phases of CoFe2O4 and Co3O4 in the molar ratio of 3:1 were formed. During further temperature increase (450 and 600°C), the ongoing crystallization process gave a new ferromagnetic phase attributed to the CoFe2O4-Co3O4 nanocomposite particles. Their formation was confirmed by XRD and TEM analyses. In-field (5 K / 5 T) Mössbauer spectrum revealed canting of Fe(III) spin in almost fully inverse spinel structure of CoFe2O4. It has been found that the thermal

  7. Structural investigation of oxovanadium(IV) Schiff base complexes: X-ray crystallography, electrochemistry and kinetic of thermal decomposition

    Czech Academy of Sciences Publication Activity Database

    Asadi, M.; Asadi, Z.; Savaripoor, N.; Dušek, Michal; Eigner, Václav; Shorkaei, M.R.; Sedaghat, M.

    2015-01-01

    Roč. 136, Feb (2015), 625-634 ISSN 1386-1425 R&D Projects: GA ČR(CZ) GAP204/11/0809 Institutional support: RVO:68378271 Keywords : Oxovanadium(IV) complexes * Schiff base * Kinetic s of thermal decomposition * Electrochemistry Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.653, year: 2015

  8. Digital Image Stabilization Method Based on Variational Mode Decomposition and Relative Entropy

    Directory of Open Access Journals (Sweden)

    Duo Hao

    2017-11-01

    Full Text Available Cameras mounted on vehicles frequently suffer from image shake due to the vehicles’ motions. To remove jitter motions and preserve intentional motions, a hybrid digital image stabilization method is proposed that uses variational mode decomposition (VMD and relative entropy (RE. In this paper, the global motion vector (GMV is initially decomposed into several narrow-banded modes by VMD. REs, which exhibit the difference of probability distribution between two modes, are then calculated to identify the intentional and jitter motion modes. Finally, the summation of the jitter motion modes constitutes jitter motions, whereas the subtraction of the resulting sum from the GMV represents the intentional motions. The proposed stabilization method is compared with several known methods, namely, medium filter (MF, Kalman filter (KF, wavelet decomposition (MD method, empirical mode decomposition (EMD-based method, and enhanced EMD-based method, to evaluate stabilization performance. Experimental results show that the proposed method outperforms the other stabilization methods.

  9. Domain decomposition methods and deflated Krylov subspace iterations

    NARCIS (Netherlands)

    Nabben, R.; Vuik, C.

    2006-01-01

    The balancing Neumann-Neumann (BNN) and the additive coarse grid correction (BPS) preconditioner are fast and successful preconditioners within domain decomposition methods for solving partial differential equations. For certain elliptic problems these preconditioners lead to condition numbers which

  10. A review of plutonium oxalate decomposition reactions and effects of decomposition temperature on the surface area of the plutonium dioxide product

    International Nuclear Information System (INIS)

    Orr, R.M.; Sims, H.E.; Taylor, R.J.

    2015-01-01

    Plutonium (IV) and (III) ions in nitric acid solution readily form insoluble precipitates with oxalic acid. The plutonium oxalates are then easily thermally decomposed to form plutonium dioxide powder. This simple process forms the basis of current industrial conversion or ‘finishing’ processes that are used in commercial scale reprocessing plants. It is also widely used in analytical or laboratory scale operations and for waste residues treatment. However, the mechanisms of the thermal decompositions in both air and inert atmospheres have been the subject of various studies over several decades. The nature of intermediate phases is of fundamental interest whilst understanding the evolution of gases at different temperatures is relevant to process control. The thermal decomposition is also used to control a number of powder properties of the PuO_2 product that are important to either long term storage or mixed oxide fuel manufacturing. These properties are the surface area, residual carbon impurities and adsorbed volatile species whereas the morphology and particle size distribution are functions of the precipitation process. Available data and experience regarding the thermal and radiation-induced decompositions of plutonium oxalate to oxide are reviewed. The mechanisms of the thermal decompositions are considered with a particular focus on the likely redox chemistry involved. Also, whilst it is well known that the surface area is dependent on calcination temperature, there is a wide variation in the published data and so new correlations have been derived. Better understanding of plutonium (III) and (IV) oxalate decompositions will assist the development of more proliferation resistant actinide co-conversion processes that are needed for advanced reprocessing in future closed nuclear fuel cycles. - Highlights: • Critical review of plutonium oxalate decomposition reactions. • New analysis of relationship between SSA and calcination temperature. • New SEM

  11. Thermal decomposition of barium ferrate(VI): Mechanism and formation of Fe{sup IV} intermediate and nanocrystalline Fe{sub 2}O{sub 3} and ferrite

    Energy Technology Data Exchange (ETDEWEB)

    Machala, Libor, E-mail: libor.machala@upol.cz [Regional Centre of Advanced Technologies and Materials, Department of Experimental Physics, Faculty of Science, Palacký University, Olomouc (Czech Republic); Sharma, Virender K. [Department of Environmental and Occupational Health, School of Public Health, Texas A& M University, 1266 TAMU, College Station, TX 77843 (United States); Kuzmann, Ernö; Homonnay, Zoltán [Institute of Chemistry, Eötvös Loránd University, Budapest (Hungary); Filip, Jan; Kralchevska, Radina P. [Regional Centre of Advanced Technologies and Materials, Department of Experimental Physics, Faculty of Science, Palacký University, Olomouc (Czech Republic)

    2016-05-25

    Simple high-valent iron-oxo species, ferrate(VI) (Fe{sup VI}O{sub 4}{sup 2−}, Fe(VI)) has applications in energy storage, organic synthesis, and water purification. Of the various salts of Fe(VI), barium ferrate(VI) (BaFeO{sub 4}) has also a great potential as a battery material. This paper presents the thermal decomposition of BaFeO{sub 4} in static air and nitrogen atmosphere, monitored by combination of thermal analysis, Mössbauer spectroscopy, X-ray powder diffraction, and electron-microscopic techniques. The formation of Fe{sup IV} species in the form of BaFeO{sub 3} was found to be the primary decomposition product of BaFeO{sub 4} at temperature around 190 °C under both studied atmospheres. BaFeO{sub 3} was unstable in air reacting with CO{sub 2} to form barium carbonate and speromagnetic amorphous iron(III) oxide nanoparticles (<5 nm). Above 600 °C, a solid state reaction between BaCO{sub 3} and Fe{sub 2}O{sub 3} occurred, leading to the formation of barium ferrite nanoparticles, BaFe{sub 2}O{sub 4} (20–100 nm). - Highlights: • We explained the mechanism of thermal decomposition of barium ferrate(VI). • We confirmed the formation of Fe(IV) intermediate phase during the decomposition. • The mechanism of the decomposition is influenced by a presence of carbon dioxide.

  12. Thermal Decomposition of Calcium Perchlorate/Iron-Mineral Mixtures: Implications of the Evolved Oxygen from the Rocknest Eolian Deposit in Gale Crater, Mars

    Science.gov (United States)

    Bruck, A. M.; Sutter, B.; Ming, D. W.; Mahaffy, P.

    2014-01-01

    A major oxygen release between 300 and 500 C was detected by the Mars Curiosity Rover Sample Analysis at Mars (SAM) instrument at the Rocknest eolian deposit. Thermal decomposition of perchlorate (ClO4-) salts in the Rocknest samples are a possible explanation for this evolved oxygen release. Releative to Na-, K-, Mg-, and Fe-perchlorate, the thermal decomposition of Ca-perchlorate in laboratory experiments released O2 in the temperature range (400-500degC) closest to the O2 release temperatures observed for the Rocknest material. Furthermore, calcium perchlorate could have been the source of Cl in the chlorinated-hydrocarbons species that were detected by SAM. Different components in the Martian soil could affect the decomposition temperature of calcium per-chlorate or another oxychlorine species. This interaction of the two components in the soil could result in O2 release temperatures consistent with those detected by SAM in the Rocknest materials. The decomposition temperatures of various alkali metal perchlorates are known to decrease in the presence of a catalyst. The objective of this work is to investigate catalytic interactions on calcium perchlorate from various iron-bearing minerals known to be present in the Rocknest material

  13. Simplified approaches to some nonoverlapping domain decomposition methods

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Jinchao

    1996-12-31

    An attempt will be made in this talk to present various domain decomposition methods in a way that is intuitively clear and technically coherent and concise. The basic framework used for analysis is the {open_quotes}parallel subspace correction{close_quotes} or {open_quotes}additive Schwarz{close_quotes} method, and other simple technical tools include {open_quotes}local-global{close_quotes} and {open_quotes}global-local{close_quotes} techniques, the formal one is for constructing subspace preconditioner based on a preconditioner on the whole space whereas the later one for constructing preconditioner on the whole space based on a subspace preconditioner. The domain decomposition methods discussed in this talk fall into two major categories: one, based on local Dirichlet problems, is related to the {open_quotes}substructuring method{close_quotes} and the other, based on local Neumann problems, is related to the {open_quotes}Neumann-Neumann method{close_quotes} and {open_quotes}balancing method{close_quotes}. All these methods will be presented in a systematic and coherent manner and the analysis for both two and three dimensional cases are carried out simultaneously. In particular, some intimate relationship between these algorithms are observed and some new variants of the algorithms are obtained.

  14. Probing the thermal decomposition behaviors of ultrathin HfO2 films by an in situ high temperature scanning tunneling microscope.

    Science.gov (United States)

    Xue, Kun; Wang, Lei; An, Jin; Xu, Jianbin

    2011-05-13

    The thermal decomposition of ultrathin HfO(2) films (∼0.6-1.2 nm) on Si by ultrahigh vacuum annealing (25-800 °C) is investigated in situ in real time by scanning tunneling microscopy. Two distinct thickness-dependent decomposition behaviors are observed. When the HfO(2) thickness is ∼ 0.6 nm, no discernible morphological changes are found below ∼ 700 °C. Then an abrupt reaction occurs at 750 °C with crystalline hafnium silicide nanostructures formed instantaneously. However, when the thickness is about 1.2 nm, the decomposition proceeds gradually with the creation and growth of two-dimensional voids at 800 °C. The observed thickness-dependent behavior is closely related to the SiO desorption, which is believed to be the rate-limiting step of the decomposition process.

  15. Suppression of the Thermal Decomposition Reaction of Forest Combustible Materials in Large-Area Fires

    Science.gov (United States)

    Volkov, R. S.; Zhdanova, A. O.; Kuznetsov, G. V.; Strizhak, P. A.

    2018-05-01

    Experimental investigations on the characteristic time of suppression of the thermal decomposition reaction of typical forest combustible materials (aspen twigs, birch leaves, spruce needles, pine chips, and a mixture of these materials) and the volume of water required for this purpose have been performed for model fire hotbeds of different areas: SFCM = 0.0003-0.007 m2 and SFCM = 0.045-0.245 m2. In the experiments, aerosol water flows with droplets of size 0.01-0.25 mm were used for the spraying of model fire hotbeds, and the density of spraying was 0.02 L/(m2·s). It was established that the characteristics of suppression of a fire by an aerosol water flow are mainly determined by the sizes of the droplets in this flow. Prognostic estimates of changes in the dispersivity of a droplet cloud, formed from large (as large as 0.5 L) "drops" (water agglomerates) thrown down from a height, have been made. It is shown that these changes can influence the conditions and characteristics of suppression of a forest fire. Dependences, allowing one to forecast the characteristics of suppression of the thermal decomposition of forest combustible materials with the use of large water agglomerates thrown down from an aircraft and aerosol clouds formed from these agglomerates in the process of their movement to the earth, are presented.

  16. Suppression of the Thermal Decomposition Reaction of Forest Combustible Materials in Large-Area Fires

    Science.gov (United States)

    Volkov, R. S.; Zhdanova, A. O.; Kuznetsov, G. V.; Strizhak, P. A.

    2018-03-01

    Experimental investigations on the characteristic time of suppression of the thermal decomposition reaction of typical forest combustible materials (aspen twigs, birch leaves, spruce needles, pine chips, and a mixture of these materials) and the volume of water required for this purpose have been performed for model fire hotbeds of different areas: SFCM = 0.0003-0.007 m2 and SFCM = 0.045-0.245 m2. In the experiments, aerosol water flows with droplets of size 0.01-0.25 mm were used for the spraying of model fire hotbeds, and the density of spraying was 0.02 L/(m2·s). It was established that the characteristics of suppression of a fire by an aerosol water flow are mainly determined by the sizes of the droplets in this flow. Prognostic estimates of changes in the dispersivity of a droplet cloud, formed from large (as large as 0.5 L) "drops" (water agglomerates) thrown down from a height, have been made. It is shown that these changes can influence the conditions and characteristics of suppression of a forest fire. Dependences, allowing one to forecast the characteristics of suppression of the thermal decomposition of forest combustible materials with the use of large water agglomerates thrown down from an aircraft and aerosol clouds formed from these agglomerates in the process of their movement to the earth, are presented.

  17. Thermal decomposition of lanthanides (III) and yttrium (III) solid complexes from ethyl ene diamine tetraacetic acid

    International Nuclear Information System (INIS)

    Mercadante, A.

    1991-01-01

    Solid state compounds of lanthanides (III) and yttrium derived from ethyl ene diamine tetraacetic acid were prepared from respective basic carbonates, that were neutralized with EDTA stoichiometry quantities. Complexometry with EDTA, thermogravimetry (TG), differential thermal analysis (DTA) and X-ray diffraction have been used in the study of these compounds. The results of complexometry with EDTA as well as TG and DTA curves bed to the stoichiometry of these compounds the following general formula is obeyed: H[Ln(EDTA]. n H 2 O. X-ray powder patterns of these compounds permitted to establish two isomorphous series. The DTA ant TG curves allowed us to study the dehydration process, the thermal stability and thermal decomposition of these compounds. (C.G.C.)

  18. Pyrolytic and kinetic characteristics of the thermal decomposition of Perilla frutescens polysaccharide.

    Directory of Open Access Journals (Sweden)

    Quancheng Zhou

    Full Text Available The thermal decomposition of Perilla frutescens polysaccharide was examined by thermogravimetry, differential thermogravimetry, and differential thermal analysis. The results showed that the mass loss of the substance proceeded in three steps. The first stage can be attributed to the expulsion of the water from ambient temperature to 182°C. The second stage corresponded to devolatilization from 182°C to 439°C. The residue slowly degraded in the third stage. The weight loss in air is faster than that in nitrogen, because the oxygen in air accelerated the pyrolytic reaction speed reaction. The heating rate significantly affected the pyrolysis of the sample. Similar activation energies of the degradation process (210-211 kJ mol⁻¹ were obtained by the FWO, KAS, and Popescu techniques. According to Popescu mechanism functions, the possible kinetic model was estimated to be Avrami-Erofeev 20 g(α = [-ln(1-α]⁴.

  19. 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

  20. Adaptive variational mode decomposition method for signal processing based on mode characteristic

    Science.gov (United States)

    Lian, Jijian; Liu, Zhuo; Wang, Haijun; Dong, Xiaofeng

    2018-07-01

    Variational mode decomposition is a completely non-recursive decomposition model, where all the modes are extracted concurrently. However, the model requires a preset mode number, which limits the adaptability of the method since a large deviation in the number of mode set will cause the discard or mixing of the mode. Hence, a method called Adaptive Variational Mode Decomposition (AVMD) was proposed to automatically determine the mode number based on the characteristic of intrinsic mode function. The method was used to analyze the simulation signals and the measured signals in the hydropower plant. Comparisons have also been conducted to evaluate the performance by using VMD, EMD and EWT. It is indicated that the proposed method has strong adaptability and is robust to noise. It can determine the mode number appropriately without modulation even when the signal frequencies are relatively close.

  1. IMF-Slices for GPR Data Processing Using Variational Mode Decomposition Method

    Directory of Open Access Journals (Sweden)

    Xuebing Zhang

    2018-03-01

    Full Text Available Using traditional time-frequency analysis methods, it is possible to delineate the time-frequency structures of ground-penetrating radar (GPR data. A series of applications based on time-frequency analysis were proposed for the GPR data processing and imaging. With respect to signal processing, GPR data are typically non-stationary, which limits the applications of these methods moving forward. Empirical mode decomposition (EMD provides alternative solutions with a fresh perspective. With EMD, GPR data are decomposed into a set of sub-components, i.e., the intrinsic mode functions (IMFs. However, the mode-mixing effect may also bring some negatives. To utilize the IMFs’ benefits, and avoid the negatives of the EMD, we introduce a new decomposition scheme termed variational mode decomposition (VMD for GPR data processing for imaging. Based on the decomposition results of the VMD, we propose a new method which we refer as “the IMF-slice”. In the proposed method, the IMFs are generated by the VMD trace by trace, and then each IMF is sorted and recorded into different profiles (i.e., the IMF-slices according to its center frequency. Using IMF-slices, the GPR data can be divided into several IMF-slices, each of which delineates a main vibration mode, and some subsurface layers and geophysical events can be identified more clearly. The effectiveness of the proposed method is tested using synthetic benchmark signals, laboratory data and the field dataset.

  2. Study of 'liquid gold' coatings: Thermal decomposition and formation of metallic thin films

    Energy Technology Data Exchange (ETDEWEB)

    Deram, V. [Laboratoire de Spectrochimie Infrarouge et Raman, Universite des Sciences et Technologies de Lille, UMR CNRS 8516, Bat C5 - 59655 Villeneuve d' Ascq (France) and Ecole Nationale Superieure des Mines de Paris, Centre de Mise en Forme des Materiaux, UMR CNRS 7635, BP 207, 06904 Sophia-Antipolis (France)]. E-mail: virginie.deram@ensmp.fr; Turrell, S. [Laboratoire de Spectrochimie Infrarouge et Raman, Universite des Sciences et Technologies de Lille, UMR CNRS 8516, Bat C5 - 59655 Villeneuve d' Ascq (France); Darque-Ceretti, E. [Ecole Nationale Superieure des Mines de Paris, Centre de Mise en Forme des Materiaux, UMR CNRS 7635, BP 207, 06904 Sophia-Antipolis (France); Aucouturier, M. [Centre de Recherche et de Restauration des Musees de France, UMR CNRS 171, Palais du Louvre, Porte des Lions, 14 quai F. Mitterrand, 75001 Paris Cedex (France)

    2006-09-25

    Organo-metallic solutions called liquid gold are largely used to obtain thin gilded films which are employed for decorative, technological and functional uses. However, these films often prove to be fragile with respect to use, resulting in loss of brilliance or even eventual film removal. An understanding of the behaviour of the layers requires good knowledge of the materials themselves. The present work was undertaken to better understand the evolution of the structural properties of liquid gold as it undergoes heat-processing. Accordingly, we followed the thermal decomposition processes of liquid gold coatings and the formation of the gilded metal layer using a combination of experimental techniques. First, thermal analyses coupled with mass spectrometry and infrared spectroscopy gave information concerning the decomposition of the organic medium. It has been found that the process of film formation can be decomposed into three steps, the second of which is an abrupt transition between 300 and 350 deg. C. Details on this transition have been obtained using real-time X-ray Diffraction and Rutherford Backscattering Spectrometry. Above 350 deg. C, the microstructure of the coating is reorganized to obtain a final layer which contains particles, of the size of a few hundreds nanometers, as shown by Transmission Electron Microscopy.

  3. Reassessment of the NH4 NO3 thermal decomposition technique for calibration of the N2 O isotopic composition.

    Science.gov (United States)

    Mohn, Joachim; Gutjahr, Wilhelm; Toyoda, Sakae; Harris, Eliza; Ibraim, Erkan; Geilmann, Heike; Schleppi, Patrick; Kuhn, Thomas; Lehmann, Moritz F; Decock, Charlotte; Werner, Roland A; Yoshida, Naohiro; Brand, Willi A

    2016-09-08

    In the last few years, the study of N 2 O site-specific nitrogen isotope composition has been established as a powerful technique to disentangle N 2 O emission pathways. This trend has been accelerated by significant analytical progress in the field of isotope-ratio mass-spectrometry (IRMS) and more recently quantum cascade laser absorption spectroscopy (QCLAS). Methods The ammonium nitrate (NH 4 NO 3 ) decomposition technique provides a strategy to scale the 15 N site-specific (SP ≡ δ 15 N α - δ 15 N β ) and bulk (δ 15 N bulk  = (δ 15 N α  + δ 15 N β )/2) isotopic composition of N 2 O against the international standard for the 15 N/ 14 N isotope ratio (AIR-N 2 ). Within the current project 15 N fractionation effects during thermal decomposition of NH 4 NO 3 on the N 2 O site preference were studied using static and dynamic decomposition techniques. The validity of the NH 4 NO 3 decomposition technique to link NH 4 + and NO 3 - moiety-specific δ 15 N analysis by IRMS to the site-specific nitrogen isotopic composition of N 2 O was confirmed. However, the accuracy of this approach for the calibration of δ 15 N α and δ 15 N β values was found to be limited by non-quantitative NH 4 NO 3 decomposition in combination with substantially different isotope enrichment factors for the conversion of the NO 3 - or NH 4 + nitrogen atom into the α or β position of the N 2 O molecule. The study reveals that the completeness and reproducibility of the NH 4 NO 3 decomposition reaction currently confine the anchoring of N 2 O site-specific isotopic composition to the international isotope ratio scale AIR-N 2 . The authors suggest establishing a set of N 2 O isotope reference materials with appropriate site-specific isotopic composition, as community standards, to improve inter-laboratory compatibility. This article is protected by copyright. All rights reserved.

  4. Thermal treatment investigation of natural lizardite at the atmospheric pressure, based on XRD and differential thermal analysis/thermal gravimetric analysis methods

    International Nuclear Information System (INIS)

    Dabiri, R.; Karimi Shahraki, B.; Mollaei, H.; Ghaffari, M.

    2009-01-01

    Determination of stability limits, mineralogical changes and thermal reaction of serpentine minerals are very important for the investigation of magmatism, mechanism and depth of plates of subduction. During the subduction process, serpentine (Lizardite) minerals will release their water due to thermal reactions. This dehydration can play an important role in volcanism processes related to the subduction, In this study, serpentine minerals (Lizardite) collected from the Neyriz Ophiolite Complex were dehydrated under the constant atmospheric pressure. These mineralogical changes were determined by X-Ray diffraction and differential thermal analysis-thermal gravimetric analyses methods. This study shows natural lizardites that heated for about one hour is stable up to 550 d eg C . Dehydration reactions on lizardite started at approximately between 100 to 150 d eg C and dehydroxylation reactions started at approximately 550-690 d eg C . As a result of thermal reaction, the decomposition of lizardite will take place and then changes in to olivine (forsterite). Crystallization of olivine (forsterite) will start at 600 d eg C . This mineral is stable up to 700 d eg C and then crystallization of enstatite will start at 700 d eg C . During this dehydration and crystallization reaction, amorphous processes will start at 600 d eg C and some amount water and silica will release.

  5. Kinetics of the thermal decomposition of pine needles

    Directory of Open Access Journals (Sweden)

    Dhaundiyal Alok

    2015-12-01

    Full Text Available A kinetic study of the pyrolysis process of pine needles was examined using a thermogravimetric analyser. The weight loss was measured in nitrogen atmosphere at a purge flow rate of 100 ml/min. The samples were heated over a range of temperature of 19°C–600°C with a heating rate of 10°C/min. The results obtained from the thermal decomposition process indicate that there are three main stages: dehydration, active and passive pyrolysis. The kinetic parameters for the different samples, such as activation energy and pre-exponential factor, are obtained by the shrinking core model (reaction-controlled regime, the model-free, and the first-order model. Experimental results showed that the shrinking model is in good agreement and can be successfully used to understand degradation mechanism of loose biomass. The result obtained from the reaction-controlled regime represented actual values of kinetic parameters which are the same for the whole pyrolysis process; whereas the model-free method presented apparent values of kinetic parameters, as they are dependent on the unknown function ϕ(C, on the sum of the parameters of the physical processes, and on the chemical reactions that happen simultaneously during pyrolysis. Experimental results showed that values of kinetic constant from the first-order model and the SCM are in good agreement and can be successfully used to understand the behaviour of loose biomass (pine needles in the presence of inert atmosphere. Using TGA results, the simulating pyrolysis can be done, with the help of computer software, to achieve a comprehensive detail of the devolatilization process of different types of biomasses.

  6. Kinetics of the decomposition reaction of phosphorite concentrate

    Directory of Open Access Journals (Sweden)

    Huang Run

    2014-01-01

    Full Text Available Apatite is the raw material, which is mainly used in phosphate fertilizer, and part are used in yellow phosphorus, red phosphorus, and phosphoric acid in the industry. With the decrease of the high grade phosphorite lump, the agglomeration process is necessary for the phosphorite concentrate after beneficiation process. The decomposition behavior and the phase transformation are of vital importance for the agglomeration process of phosphorite. In this study, the thermal kinetic analysis method was used to study the kinetics of the decomposition of phosphorite concentrate. The phosphorite concentrate was heated under various heating rate, and the phases in the sample heated were examined by the X-ray diffraction method. It was found that the main phases in the phosphorite are fluorapatiteCa5(PO43F, quartz SiO2,and dolomite CaMg(CO32.The endothermic DSC peak corresponding to the mass loss caused by the decomposition of dolomite covers from 600°C to 850°C. The activation energy of the decomposition of dolomite, which increases with the increase in the extent of conversion, is about 71.6~123.6kJ/mol. The mechanism equation for the decomposition of dolomite agrees with the Valensi equation and G-B equation.

  7. Temperature and Pressure Depences on the Isotopic Fractionation Effect in the Thermal Decomposition of Ozone

    Directory of Open Access Journals (Sweden)

    Su-Ju Kim

    1997-12-01

    Full Text Available To understand the mass-independent isotopic fractionation effects, thermal decomposition of ozone was performed. Initial oxygen gas was converted to ozone completely. Then, the ozone was decomposed to oxygen at various temperatures(30~150C. Isotopic compositions of product oxygen and residual ozone were measured using a stable isotope mass spectrometer. The experimental results were compared with the studies which were peformed at the similar conditions. From the raw experimental data, the functions of the instantaneous fractionation factors were calculated by the least square fit. The results clearly showed the temperature dependence. They also showed the pressure dependence and the surface effect. This study may play an important role in the study of ozone decomposition mechanism. It can be applied to explain the mass-independent isotopic pattern found in stratospheric ozone and in meteorites.

  8. Ozone Decomposition on the Surface of Metal Oxide Catalyst

    Directory of Open Access Journals (Sweden)

    Batakliev Todor Todorov

    2014-12-01

    Full Text Available The catalytic decomposition of ozone to molecular oxygen over catalytic mixture containing manganese, copper and nickel oxides was investigated in the present work. The catalytic activity was evaluated on the basis of the decomposition coefficient which is proportional to ozone decomposition rate, and it has been already used in other studies for catalytic activity estimation. The reaction was studied in the presence of thermally modified catalytic samples operating at different temperatures and ozone flow rates. The catalyst changes were followed by kinetic methods, surface measurements, temperature programmed reduction and IR-spectroscopy. The phase composition of the metal oxide catalyst was determined by X-ray diffraction. The catalyst mixture has shown high activity in ozone decomposition at wet and dry O3/O2 gas mixtures. The mechanism of catalytic ozone degradation was suggested.

  9. Superparamagnetism and spin-glass like state for the MnFe2O4 nano-particles synthesized by the thermal decomposition method

    International Nuclear Information System (INIS)

    Gao Ruorui; Zhang Yue; Yu Wei; Xiong Rui; Shi Jing

    2012-01-01

    MnFe 2 O 4 nano-particles with an average size of about 7 nm were synthesized by the thermal decomposition method. Based on the magnetic hysteresis loops measured at different temperatures the temperature-dependent saturation magnetization (M S ) and coercivity (H C ) are determined. It is shown that above 20 K the temperature-dependence of the M S and H C indicates the magnetic behaviors in the single-domain nano-particles, while below 20 K, the change of the M S and H C indicates the freezing of the spin-glass like state on the surfaces. By measuring the magnetization–temperature (M–T) curves under the zero-field-cooling (ZFC) and field-cooling procedures at different applied fields, superparamagnetism behavior is also studied. Even though in the ZFC M–T curves peaks can be observed below 160 K, superparamagnetism does not appear until the temperature goes above 300 K, which is related with the strong inter-particle interaction. - Highlights: ► MnFe 2 O 4 nano-particles with size of 7 nm were prepared. ► The surface spin-glass like state is frozen below 20 K. ► The peaks in ZFC magnetization–temperature curves are observed below 160 K. ► The inter-particle interaction inhibits the superparamagnetism at room temperature.

  10. Compact Ag@Fe3O4 Core-shell Nanoparticles by Means of Single-step Thermal Decomposition Reaction

    Science.gov (United States)

    Brollo, Maria Eugênia F.; López-Ruiz, Román; Muraca, Diego; Figueroa, Santiago J. A.; Pirota, Kleber R.; Knobel, Marcelo

    2014-10-01

    A temperature pause introduced in a simple single-step thermal decomposition of iron, with the presence of silver seeds formed in the same reaction mixture, gives rise to novel compact heterostructures: brick-like Ag@Fe3O4 core-shell nanoparticles. This novel method is relatively easy to implement, and could contribute to overcome the challenge of obtaining a multifunctional heteroparticle in which a noble metal is surrounded by magnetite. Structural analyses of the samples show 4 nm silver nanoparticles wrapped within compact cubic external structures of Fe oxide, with curious rectangular shape. The magnetic properties indicate a near superparamagnetic like behavior with a weak hysteresis at room temperature. The value of the anisotropy involved makes these particles candidates to potential applications in nanomedicine.

  11. Method validation for control determination of mercury in fresh fish and shrimp samples by solid sampling thermal decomposition/amalgamation atomic absorption spectrometry.

    Science.gov (United States)

    Torres, Daiane Placido; Martins-Teixeira, Maristela Braga; Cadore, Solange; Queiroz, Helena Müller

    2015-01-01

    A method for the determination of total mercury in fresh fish and shrimp samples by solid sampling thermal decomposition/amalgamation atomic absorption spectrometry (TDA AAS) has been validated following international foodstuff protocols in order to fulfill the Brazilian National Residue Control Plan. The experimental parameters have been previously studied and optimized according to specific legislation on validation and inorganic contaminants in foodstuff. Linearity, sensitivity, specificity, detection and quantification limits, precision (repeatability and within-laboratory reproducibility), robustness as well as accuracy of the method have been evaluated. Linearity of response was satisfactory for the two range concentrations available on the TDA AAS equipment, between approximately 25.0 and 200.0 μg kg(-1) (square regression) and 250.0 and 2000.0 μg kg(-1) (linear regression) of mercury. The residues for both ranges were homoscedastic and independent, with normal distribution. Correlation coefficients obtained for these ranges were higher than 0.995. Limits of quantification (LOQ) and of detection of the method (LDM), based on signal standard deviation (SD) for a low-in-mercury sample, were 3.0 and 1.0 μg kg(-1), respectively. Repeatability of the method was better than 4%. Within-laboratory reproducibility achieved a relative SD better than 6%. Robustness of the current method was evaluated and pointed sample mass as a significant factor. Accuracy (assessed as the analyte recovery) was calculated on basis of the repeatability, and ranged from 89% to 99%. The obtained results showed the suitability of the present method for direct mercury measurement in fresh fish and shrimp samples and the importance of monitoring the analysis conditions for food control purposes. Additionally, the competence of this method was recognized by accreditation under the standard ISO/IEC 17025.

  12. A review of plutonium oxalate decomposition reactions and effects of decomposition temperature on the surface area of the plutonium dioxide product

    Energy Technology Data Exchange (ETDEWEB)

    Orr, R.M.; Sims, H.E.; Taylor, R.J., E-mail: robin.j.taylor@nnl.co.uk

    2015-10-15

    Plutonium (IV) and (III) ions in nitric acid solution readily form insoluble precipitates with oxalic acid. The plutonium oxalates are then easily thermally decomposed to form plutonium dioxide powder. This simple process forms the basis of current industrial conversion or ‘finishing’ processes that are used in commercial scale reprocessing plants. It is also widely used in analytical or laboratory scale operations and for waste residues treatment. However, the mechanisms of the thermal decompositions in both air and inert atmospheres have been the subject of various studies over several decades. The nature of intermediate phases is of fundamental interest whilst understanding the evolution of gases at different temperatures is relevant to process control. The thermal decomposition is also used to control a number of powder properties of the PuO{sub 2} product that are important to either long term storage or mixed oxide fuel manufacturing. These properties are the surface area, residual carbon impurities and adsorbed volatile species whereas the morphology and particle size distribution are functions of the precipitation process. Available data and experience regarding the thermal and radiation-induced decompositions of plutonium oxalate to oxide are reviewed. The mechanisms of the thermal decompositions are considered with a particular focus on the likely redox chemistry involved. Also, whilst it is well known that the surface area is dependent on calcination temperature, there is a wide variation in the published data and so new correlations have been derived. Better understanding of plutonium (III) and (IV) oxalate decompositions will assist the development of more proliferation resistant actinide co-conversion processes that are needed for advanced reprocessing in future closed nuclear fuel cycles. - Highlights: • Critical review of plutonium oxalate decomposition reactions. • New analysis of relationship between SSA and calcination temperature.

  13. Aging-driven decomposition in zolpidem hemitartrate hemihydrate and the single-crystal structure of its decomposition products.

    Science.gov (United States)

    Vega, Daniel R; Baggio, Ricardo; Roca, Mariana; Tombari, Dora

    2011-04-01

    The "aging-driven" decomposition of zolpidem hemitartrate hemihydrate (form A) has been followed by X-ray powder diffraction (XRPD), and the crystal and molecular structures of the decomposition products studied by single-crystal methods. The process is very similar to the "thermally driven" one, recently described in the literature for form E (Halasz and Dinnebier. 2010. J Pharm Sci 99(2): 871-874), resulting in a two-phase system: the neutral free base (common to both decomposition processes) and, in the present case, a novel zolpidem tartrate monohydrate, unique to the "aging-driven" decomposition. Our room-temperature single-crystal analysis gives for the free base comparable results as the high-temperature XRPD ones already reported by Halasz and Dinnebier: orthorhombic, Pcba, a = 9.6360(10) Å, b = 18.2690(5) Å, c = 18.4980(11) Å, and V = 3256.4(4) Å(3) . The unreported zolpidem tartrate monohydrate instead crystallizes in monoclinic P21 , which, for comparison purposes, we treated in the nonstandard setting P1121 with a = 20.7582(9) Å, b = 15.2331(5) Å, c = 7.2420(2) Å, γ = 90.826(2)°, and V = 2289.73(14) Å(3) . The structure presents two complete moieties in the asymmetric unit (z = 4, z' = 2). The different phases obtained in both decompositions are readily explained, considering the diverse genesis of both processes. Copyright © 2010 Wiley-Liss, Inc.

  14. On formation mechanism of Pd-Ir bimetallic nanoparticles through thermal decomposition of [Pd(NH3)4][IrCl6

    Science.gov (United States)

    Asanova, Tatyana I.; Asanov, Igor P.; Kim, Min-Gyu; Gerasimov, Evgeny Yu.; Zadesenets, Andrey V.; Plyusnin, Pavel E.; Korenev, Sergey V.

    2013-10-01

    The formation mechanism of Pd-Ir nanoparticles during thermal decomposition of double complex salt [Pd(NH3)4][IrCl6] has been studied by in situ X-ray absorption (XAFS) and photoelectron (XPS) spectroscopies. The changes in the structure of the Pd and Ir closest to the surroundings and chemical states of Pd, Ir, Cl, and N atoms were traced in the range from room temperature to 420 °C in inert atmosphere. It was established that the thermal decomposition process is carried out in 5 steps. The Pd-Ir nanoparticles are formed in pyramidal/rounded Pd-rich (10-200 nm) and dendrite Ir-rich (10-50 nm) solid solutions. A d charge depletion at Ir site and a gain at Pd, as well as the intra-atomic charge redistribution between the outer d and s and p electrons of both Ir and Pd in Pd-Ir nanoparticles, were found to occur.

  15. On formation mechanism of Pd–Ir bimetallic nanoparticles through thermal decomposition of [Pd(NH3)4][IrCl6

    International Nuclear Information System (INIS)

    Asanova, Tatyana I.; Asanov, Igor P.; Kim, Min-Gyu; Gerasimov, Evgeny Yu.; Zadesenets, Andrey V.; Plyusnin, Pavel E.; Korenev, Sergey V.

    2013-01-01

    The formation mechanism of Pd–Ir nanoparticles during thermal decomposition of double complex salt [Pd(NH 3 ) 4 ][IrCl 6 ] has been studied by in situ X-ray absorption (XAFS) and photoelectron (XPS) spectroscopies. The changes in the structure of the Pd and Ir closest to the surroundings and chemical states of Pd, Ir, Cl, and N atoms were traced in the range from room temperature to 420 °C in inert atmosphere. It was established that the thermal decomposition process is carried out in 5 steps. The Pd–Ir nanoparticles are formed in pyramidal/rounded Pd-rich (10–200 nm) and dendrite Ir-rich (10–50 nm) solid solutions. A d charge depletion at Ir site and a gain at Pd, as well as the intra-atomic charge redistribution between the outer d and s and p electrons of both Ir and Pd in Pd–Ir nanoparticles, were found to occur.Graphical Abstract

  16. Speckle imaging using the principle value decomposition method

    International Nuclear Information System (INIS)

    Sherman, J.W.

    1978-01-01

    Obtaining diffraction-limited images in the presence of atmospheric turbulence is a topic of current interest. Two types of approaches have evolved: real-time correction and speckle imaging. A speckle imaging reconstruction method was developed by use of an ''optimal'' filtering approach. This method is based on a nonlinear integral equation which is solved by principle value decomposition. The method was implemented on a CDC 7600 for study. The restoration algorithm is discussed and its performance is illustrated. 7 figures

  17. Thermal decomposition of agardites (REE) - relationship between dehydroxylation temperature and electronegativity

    International Nuclear Information System (INIS)

    Frost, Ray L.; Erickson, Kristy L.; Weier, Matt L.; McKinnon, Adam R.; Williams, Peter A.; Leverett, Peter

    2005-01-01

    The thermal decomposition of a suite of synthetic agardites of formula ACu 6 (AsO 4 ) 2 (OH) 6 ·3H 2 O where A is given by a rare earth element has been studied using thermogravimetric analysis techniques. Dehydration of the agardites occurs at low temperatures and over an extended temperature range from ambient to around 60 deg. C. This loss of water is attributed to the loss of zeolitic water. The mass loss of water indicates 3 mol of zeolitic water in the structure. Dehydroxylation occurs in steps over a wide range of temperatures from 235 to 456 deg. C. The mass loss during dehydroxylation shows the number of moles of hydroxyl units is six. There is a linear relationship between the first dehydroxylation temperature and the electronegativity of the agardites (REE)

  18. Mass transfer in fuel cells. [electron microscopy of components, thermal decomposition of Teflon, water transport, and surface tension of KOH solutions

    Science.gov (United States)

    Walker, R. D., Jr.

    1973-01-01

    Results of experiments on electron microscopy of fuel cell components, thermal decomposition of Teflon by thermogravimetry, surface area and pore size distribution measurements, water transport in fuel cells, and surface tension of KOH solutions are described.

  19. Numerical Investigation into CO Emission, O Depletion, and Thermal Decomposition in a Reacting Slab

    Directory of Open Access Journals (Sweden)

    O. D. Makinde

    2011-01-01

    Full Text Available The emission of carbon dioxide (CO2 is closely associated with oxygen (O2 depletion, and thermal decomposition in a reacting stockpile of combustible materials like fossil fuels (e.g., coal, oil, and natural gas. Moreover, it is understood that proper assessment of the emission levels provides a crucial reference point for other assessment tools like climate change indicators and mitigation strategies. In this paper, a nonlinear mathematical model for estimating the CO2 emission, O2 depletion, and thermal stability of a reacting slab is presented and tackled numerically using a semi-implicit finite-difference scheme. It is assumed that the slab surface is subjected to a symmetrical convective heat and mass exchange with the ambient. Both numerical and graphical results are presented and discussed quantitatively with respect to various parameters embedded in the problem.

  20. 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)

  1. Thermal decomposition of potassium metaperiodate doped with trivalent ions

    Energy Technology Data Exchange (ETDEWEB)

    Muraleedharan, K., E-mail: kmuralika@gmail.com [Department of Chemistry, University of Calicut, Calicut, Kerala 673 635 (India); Kannan, M.P.; Gangadevi, T. [Department of Chemistry, University of Calicut, Calicut, Kerala 673 635 (India)

    2010-04-20

    The kinetics of isothermal decomposition of potassium metaperiodate (KIO{sub 4}), doped with phosphate and aluminium has been studied by thermogravimetry (TG). We introduced a custom-made thermobalance that is able to record weight decrease with time under pure isothermal conditions. The decomposition proceeds mainly through two stages: an acceleratory stages up to {alpha} = 0.50 and the decay stage beyond. The decomposition data for aluminium and phosphate doped KIO{sub 4} were found to be best described by the Prout-Tompkins equation. Separate kinetic analyses of the {alpha}-t data corresponding to the acceleratory region and decay region showed that the acceleratory stage gave the best fit with Prout-Tompkins equation itself whereas the decay stage fitted better to the contracting area equation. The rate of decomposition of phosphate doped KIO{sub 4} increases approximately linearly with an increase in the dopant concentration. In the case of aluminium doped KIO{sub 4}, the rate passes through a maximum with increase in the dopant concentration. The {alpha}-t data of pure and doped KIO{sub 4} were also subjected to isoconversional studies for the determination of activation energy values. Doping did not change the activation energy of the reaction. The results favour an electron-transfer mechanism for the isothermal decomposition of KIO{sub 4}, agreeing well with our earlier observations.

  2. A review of plutonium oxalate decomposition reactions and effects of decomposition temperature on the surface area of the plutonium dioxide product

    Science.gov (United States)

    Orr, R. M.; Sims, H. E.; Taylor, R. J.

    2015-10-01

    Plutonium (IV) and (III) ions in nitric acid solution readily form insoluble precipitates with oxalic acid. The plutonium oxalates are then easily thermally decomposed to form plutonium dioxide powder. This simple process forms the basis of current industrial conversion or 'finishing' processes that are used in commercial scale reprocessing plants. It is also widely used in analytical or laboratory scale operations and for waste residues treatment. However, the mechanisms of the thermal decompositions in both air and inert atmospheres have been the subject of various studies over several decades. The nature of intermediate phases is of fundamental interest whilst understanding the evolution of gases at different temperatures is relevant to process control. The thermal decomposition is also used to control a number of powder properties of the PuO2 product that are important to either long term storage or mixed oxide fuel manufacturing. These properties are the surface area, residual carbon impurities and adsorbed volatile species whereas the morphology and particle size distribution are functions of the precipitation process. Available data and experience regarding the thermal and radiation-induced decompositions of plutonium oxalate to oxide are reviewed. The mechanisms of the thermal decompositions are considered with a particular focus on the likely redox chemistry involved. Also, whilst it is well known that the surface area is dependent on calcination temperature, there is a wide variation in the published data and so new correlations have been derived. Better understanding of plutonium (III) and (IV) oxalate decompositions will assist the development of more proliferation resistant actinide co-conversion processes that are needed for advanced reprocessing in future closed nuclear fuel cycles.

  3. Thermal behavior and decomposition of cerium(III) butanoate, pentanoate and hexanoate salts upon heating in argon

    DEFF Research Database (Denmark)

    Grivel, Jean-Claude; Suarez Guevara, Maria Josefina; Yue, Zhao

    2017-01-01

    The thermal behavior and decomposition of Ce-butanoate monohydrate (Ce(C3H7CO2)3·H2O), Ce-pentanoate (Ce(C4H9CO2)3) and Ce-hexanoate (Ce(C5H11CO2)3) were studied in a flow of argon while heating at 5 °C/min. By means of several techniques such as simultaneous TG-DTA, FTIR evolved gas analysis, in...

  4. A posteriori error analysis of multiscale operator decomposition methods for multiphysics models

    International Nuclear Information System (INIS)

    Estep, D; Carey, V; Tavener, S; Ginting, V; Wildey, T

    2008-01-01

    Multiphysics, multiscale models present significant challenges in computing accurate solutions and for estimating the error in information computed from numerical solutions. In this paper, we describe recent advances in extending the techniques of a posteriori error analysis to multiscale operator decomposition solution methods. While the particulars of the analysis vary considerably with the problem, several key ideas underlie a general approach being developed to treat operator decomposition multiscale methods. We explain these ideas in the context of three specific examples

  5. Rapid synthesis and optical properties of hematite ({alpha}-Fe{sub 2}O{sub 3}) nanostructures using a simple thermal decomposition method

    Energy Technology Data Exchange (ETDEWEB)

    Al-Gaashani, R., E-mail: Rashad_jashani@yahoo.com [School of Applied Physics, Faculty Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia); Department of Physics, Thamar University, Dhamar, Republic of Yemen (Yemen); Radiman, S. [School of Applied Physics, Faculty Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia); Tabet, N. [Department of Physics and Center of Research Excellence in Renewable Energy, King Fahd University of Petroleum and Minerals, Dhahran (Saudi Arabia); Daud, A.R. [School of Applied Physics, Faculty Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia)

    2013-02-15

    Highlights: Black-Right-Pointing-Pointer A novel method for the synthesis of hematite nanopowder is reported. Black-Right-Pointing-Pointer The morphology of {alpha}-Fe{sub 2}O{sub 3} changed with altering the preparation temperature. Black-Right-Pointing-Pointer The coral like nano {alpha}-Fe{sub 2}O{sub 3} prepared at 500 and 600 Degree-Sign C showed novel optical behavior. Black-Right-Pointing-Pointer The coral like nano {alpha}-Fe{sub 2}O{sub 3} could be used to enhance efficiency of the solar cells. - Abstract: Hematite nanostructures were prepared by a simple technique using the thermal decomposition of iron (III) nitrate 9-hydrate at different temperatures under air atmosphere. Observations using field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM) showed that the morphology of the nanostructures changed as the temperature was varied while their size increased with increasing preparation time. Samples prepared at 300, 400, and 500 Degree-Sign C were made of particles with a quantum dots (QDs) size. X-ray photoelectron spectroscopy (XPS), energy dispersive spectroscopy (EDS) and X-ray diffraction (XRD) confirmed that the as-synthesized powders are pure {alpha}-Fe{sub 2}O{sub 3}. The optical energy gap of the samples varied from 3.2 eV to 2.7 eV as the preparation temperature increased from 300 Degree-Sign C to 600 Degree-Sign C.

  6. Preparation, Structure Characterization and Thermal Decomposition ...

    African Journals Online (AJOL)

    NJD

    Decomposition Process of the Dysprosium(III) m-Methylbenzoate 1 ... A dinuclear complex [Dy(m-MBA)3phen]2·H2O was prepared by the reaction of DyCl3·6H2O, m-methylbenzoic acid and .... ing rate of 10 °C min–1 are illustrated in Fig. 4.

  7. Scalable parallel elastic-plastic finite element analysis using a quasi-Newton method with a balancing domain decomposition preconditioner

    Science.gov (United States)

    Yusa, Yasunori; Okada, Hiroshi; Yamada, Tomonori; Yoshimura, Shinobu

    2018-04-01

    A domain decomposition method for large-scale elastic-plastic problems is proposed. The proposed method is based on a quasi-Newton method in conjunction with a balancing domain decomposition preconditioner. The use of a quasi-Newton method overcomes two problems associated with the conventional domain decomposition method based on the Newton-Raphson method: (1) avoidance of a double-loop iteration algorithm, which generally has large computational complexity, and (2) consideration of the local concentration of nonlinear deformation, which is observed in elastic-plastic problems with stress concentration. Moreover, the application of a balancing domain decomposition preconditioner ensures scalability. Using the conventional and proposed domain decomposition methods, several numerical tests, including weak scaling tests, were performed. The convergence performance of the proposed method is comparable to that of the conventional method. In particular, in elastic-plastic analysis, the proposed method exhibits better convergence performance than the conventional method.

  8. Domain decomposition methods for core calculations using the MINOS solver

    International Nuclear Information System (INIS)

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

    2007-01-01

    Cell by cell homogenized transport calculations of an entire nuclear reactor core are currently too expensive for industrial applications, even if a simplified transport (SPn) approximation is used. In order to take advantage of parallel computers, we propose here two domain decomposition methods using the mixed dual finite element solver MINOS. The first one is a modal 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 one is an iterative method based on 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 close sub-domains estimated at the previous iteration. For these two methods, we give numerical results which demonstrate their accuracy and their efficiency for the diffusion model on realistic 2D and 3D cores. (authors)

  9. Studies on Thermal Decomposition of Aluminium Sulfate to Produce Alumina Nano Structure

    Directory of Open Access Journals (Sweden)

    M. Jafar-Tafreshi

    2012-12-01

    Full Text Available Aluminum sulfate nano structures have been prepared by solution combustion synthesis using aluminum nitrate nonahydrate (Al(NO33.9H2O and ammonium sulfate ((NH42SO4. The resultant aluminum sulfate nano structures were calcined at different temperatures to study thermal  decomposition of aluminum sulfate. The crystallinity and phase of  the as-synthesized and calcined samples were characterized by both X- ray diffraction and FTIR measurements. These two analyses determined the temperature at which the aluminum sulfate is converted to γ-alumina nano particles. The specific surface area and pore size distribution for  γ-alumina nano particles were determined by BET measurement. TEM measurement confirmed the size of the particles obtained by XRD and BET analyses.

  10. 57Fe Moessbauer spectroscopic study of the thermal decomposition of Fe(IO3)3

    International Nuclear Information System (INIS)

    Music, S.; Simmons, G.W.; Leidheiser, H. Jr

    1981-01-01

    Thermal decomposition of iron(III) iodate at temperatures up to 600 deg C has been followed by 57 Fe Moessbauer spectroscopy. The 57 Fe Moessbauer spectrum of iron(III) iodate is characterized by a single absorption peak. A magnetic splitting component of small intensity appears after 42 h heating at 370 deg C. Iron(III) iodate is completely decomposed after 1 h heating at 470 deg C. Moessbauer parameters of the component yielding the magnetic hyperfine split spectrum correspond to α-Fe 2 O 3 with crystal defects. Quantitative experimental data are summarized and discussed. (author)

  11. Accuracy of the Adomian decomposition method applied to the Lorenz system

    International Nuclear Information System (INIS)

    Hashim, I.; Noorani, M.S.M.; Ahmad, R.; Bakar, S.A.; Ismail, E.S.; Zakaria, A.M.

    2006-01-01

    In this paper, the Adomian decomposition method (ADM) is applied to the famous Lorenz system. The ADM yields an analytical solution in terms of a rapidly convergent infinite power series with easily computable terms. Comparisons between the decomposition solutions and the fourth-order Runge-Kutta (RK4) numerical solutions are made for various time steps. In particular we look at the accuracy of the ADM as the Lorenz system changes from a non-chaotic system to a chaotic one

  12. Comparison of the thermal decomposition processes of several aminoalcohol-based ZnO inks with one containing ethanolamine

    Energy Technology Data Exchange (ETDEWEB)

    Gómez-Núñez, Alberto [University of Barcelona, Department of Electronics, Martí i Franquès 1, E08028-Barcelona (Spain); Roura, Pere [University of Girona, Department of Physics, Campus Montilivi, Edif. PII, E17071-Girona, Catalonia (Spain); López, Concepción [University of Barcelona, Department of Inorganic Chemistry, Martí i Franquès 1, E08028-Barcelona (Spain); Vilà, Anna, E-mail: avila@el.ub.edu [University of Barcelona, Department of Electronics, Martí i Franquès 1, E08028-Barcelona (Spain)

    2016-09-15

    Highlights: • Four alternatives to ethanolamine as stabilizer for the chemical synthesis of ZnO with zinc acetate dihydrate are proposed: aminopropanol, aminomethyl butanol, aminophenol and aminobenzyl alcohol. • Thermal decomposition processes described. Nitrogen cyclic compounds result. • Molecule flexibility helps decomposition, and in particular aliphatic aminoalcohols (quite flexible) decompose the precursor at lower temperatures than aromatic ones (more rigid). • Aminopropanol, aminomethyl butanol and aminobenzyl crystallize ZnO at a lower temperature than ethanolamine. • Nitrogen cyclic specimens have been identified and evolve in all cases (included ethanolamine) at temperatures up to 600 °C. - Abstract: Four inks for the production of ZnO semiconducting films have been prepared with zinc acetate dihydrate as precursor salt and one among the following aminoalcohols: aminopropanol (APr), aminomethyl butanol (AMB), aminophenol (APh) and aminobenzyl alcohol (AB) as stabilizing agent. Their thermal decomposition process has been analyzed in situ by thermogravimetric analysis (TGA), differential scanning calorimetry (DSC) and evolved gas analysis (EGA), whereas the solid product has been analysed ex-situ by X-ray diffraction (XRD) and infrared spectroscopy (IR). Although, except for the APh ink, crystalline ZnO is already obtained at 300 °C, the films contain an organic residue that evolves at higher temperature in the form of a large variety of nitrogen-containing cyclic compounds. The results indicate that APr can be a better stabilizing agent than ethanolamine (EA). It gives larger ZnO crystal sizes with similar carbon content. However, a common drawback of all the amino stabilizers (EA included) is that nitrogen atoms have not been completely removed from the ZnO film at the highest temperature of our experiments (600 °C).

  13. Adomian decomposition method for nonlinear Sturm-Liouville problems

    Directory of Open Access Journals (Sweden)

    Sennur Somali

    2007-09-01

    Full Text Available In this paper the Adomian decomposition method is applied to the nonlinear Sturm-Liouville problem-y" + y(tp=λy(t, y(t > 0, t ∈ I = (0, 1, y(0 = y(1 = 0, where p > 1 is a constant and λ > 0 is an eigenvalue parameter. Also, the eigenvalues and the behavior of eigenfuctions of the problem are demonstrated.

  14. Performance and thermal decomposition analysis of foaming agent NPL-10 for use in heavy oil recovery by steam injection

    Directory of Open Access Journals (Sweden)

    Zhao Fa-Jun

    2018-02-01

    Full Text Available Foaming agents, despite holding potential in steam injection technology for heavy oil recovery, are still poorly investigated. In this work, we analyzed the performance of the foaming agent NPL-10 in terms of foam height and half-life under various conditions of temperature, pH, salinity, and oil content by orthogonal experiments. The best conditions of use for NPL-10 among those tested are T=220°C, pH 7, salinity 10000 mg·L–1 and oil content 10 g·L–1. Thermal decomposition of NPL-10 was also studied by thermogravimetric and differential thermal analyses. NPL-10 decomposes above 220°C, and decomposition is a two-step process. The kinetic triplet (activation energy, kinetic function and pre-exponential factor and the corresponding rate law were calculated for each step. Steps 1 and 2 follow kinetics of different order (n = 2 and ½, respectively. These findings provide some criteria for the selection of foaming agents for oil recovery by steam injection.

  15. Shock wave and modeling study of the thermal decomposition reactions of pentafluoroethane and 2-H-heptafluoropropane.

    Science.gov (United States)

    Cobos, C J; Sölter, L; Tellbach, E; Troe, J

    2014-06-07

    The thermal decomposition reactions of CF3CF2H and CF3CFHCF3 have been studied in shock waves by monitoring the appearance of CF2 radicals. Temperatures in the range 1400-2000 K and Ar bath gas concentrations in the range (2-10) × 10(-5) mol cm(-3) were employed. It is shown that the reactions are initiated by C-C bond fission and not by HF elimination. Differing conclusions in the literature about the primary decomposition products, such as deduced from experiments at very low pressures, are attributed to unimolecular falloff effects. By increasing the initial reactant concentrations in Ar from 60 to 1000 ppm, a retardation of CF2 formation was observed while the final CF2 yields remained close to two CF2 per C2F5H or three CF2 per C3F7H decomposed. This is explained by secondary bimolecular reactions which lead to comparably stable transient species like CF3H, releasing CF2 at a slower rate. Quantum-chemical calculations and kinetic modeling help to identify the reaction pathways and provide estimates of rate constants for a series of primary and secondary reactions in the decomposition mechanism.

  16. Thermal stability and mechanism of decomposition of emulsion explosives in the presence of pyrite.

    Science.gov (United States)

    Xu, Zhi-Xiang; Wang, Qian; Fu, Xiao-Qi

    2015-12-30

    The reaction of emulsion explosives (ammonium nitrate) with pyrite was studied using techniques of TG-DTG-DTA. TG-DSC-MS was also used to analyze samples thermal decomposition process. When a mixture of pyrite and emulsion explosives was heated at a constant heating rate of 10K/min from room temperature to 350°C, exothermic reactions occurred at about 200°C. The essence of reaction between emulsion explosives and pyrite is the reaction between ammonium nitrate and pyrite. Emulsion explosives have excellent thermal stability but it does not mean it showed the same excellent thermal stability when pyrite was added. Package emulsion explosives were more suitable to use in pyrite shale than bulk emulsion explosives. The exothermic reaction was considered to take place between ammonium nitrate and pyrite where NO, NO2, NH3, SO2 and N2O gases were produced. Based on the analysis of the gaseous, a new overall reaction was proposed, which was thermodynamically favorable. The results have significant implication in the understanding of stability of emulsion explosives in reactive mining grounds containing pyrite minerals. Copyright © 2015 Elsevier B.V. All rights reserved.

  17. Y2O3-MgO Nano-Composite Synthesized by Plasma Spraying and Thermal Decomposition of Solution Precursors

    Science.gov (United States)

    Muoto, Chigozie Kenechukwu

    This research aims to identify the key feedstock characteristics and processing conditions to produce Y2O3-MgO composite coatings with high density and hardness using solution precursor plasma spray (SPPS) and suspension plasma spray (SPS) processes, and also, to explore the phenomena involved in the production of homogenized nano-composite powders of this material system by thermal decomposition of solution precursor mixtures. The material system would find potential application in the fabrication of components for optical applications such as transparent windows. It was shown that a lack of major endothermic events during precursor decomposition and the resultant formation of highly dense particles upon pyrolysis are critical precursor characteristics for the deposition of dense and hard Y2O3-MgO coatings by SPPS. Using these principles, a new Y2O3-MgO precursor solution was developed, which yielded a coating with Vickers hardness of 560 Hv. This was a considerable improvement over the hardness of the coatings obtained using conventional solution precursors, which was as low as 110 Hv. In the thermal decomposition synthesis process, binary solution precursor mixtures of: yttrium nitrate (Y[n]) or yttrium acetate (Y[a]), with magnesium nitrate (Mg[n]) or magnesium acetate (Mg[a]) were used in order to study the effects of precursor chemistry on the structural characteristics of the resultant Y2O3-MgO powders. The phase domains were coarse and distributed rather inhomogeneously in the materials obtained from the Y[n]Mg[n] and Y[a]Mg[a] mixtures; finer and more homogeneously-distributed phase domains were obtained for ceramics produced from the Y[a]Mg[n] and Y[n]Mg[a] mixtures. It was established that these phenomena were related to the thermal characteristics for the decomposition of the precursors and their effect on phase separation during oxide crystallization. Addition of ammonium acetate to the Y[n[Mg[n] mixture changed the endothermic process to exothermic

  18. Thermal Decomposition Mechanisms of Lignin Model Compounds: From Phenol to Vanillin

    Science.gov (United States)

    Scheer, Adam Michael

    Lignin is a complex, aromatic polymer abundant in cellulosic biomass (trees, switchgrass etc.). Thermochemical breakdown of lignin for liquid fuel production results in undesirable polycyclic aromatic hydrocarbons that lead to tar and soot byproducts. The fundamental chemistry governing these processes is not well understood. We have studied the unimolecular thermal decomposition mechanisms of aromatic lignin model compounds using a miniature SiC tubular reactor. Products are detected and characterized using time-of-flight mass spectrometry with both single photon (118.2 nm; 10.487 eV) and 1 + 1 resonance-enhanced multiphoton ionization (REMPI) as well as matrix isolation infrared spectroscopy. Gas exiting the heated reactor (300 K--1600 K) is subject to a free expansion after a residence time of approximately 100 micros. The expansion into vacuum rapidly cools the gas mixture and allows the detection of radicals and other highly reactive intermediates. By understanding the unimolecular fragmentation patterns of phenol (C6H5OH), anisole (C6H 5OCH3) and benzaldehyde (C6H5CHO), the more complicated thermocracking processes of the catechols (HO-C 6H4-OH), methoxyphenols (HO-C6H4-OCH 3) and hydroxybenzaldehydes (HO-C6H4-CHO) can be interpreted. These studies have resulted in a predictive model that allows the interpretation of vanillin, a complex phenolic ether containing methoxy, hydroxy and aldehyde functional groups. This model will serve as a guide for the pyrolyses of larger systems including lignin monomers such as coniferyl alcohol. The pyrolysis mechanisms of the dimethoxybenzenes (H3C-C 6H4-OCH3) and syringol, a hydroxydimethoxybenzene have also been studied. These results will aid in the understanding of the thermal fragmentation of sinapyl alcohol, the most complex lignin monomer. In addition to the model compound work, pyrolyisis of biomass has been studied via the pulsed laser ablation of poplar wood. With the REMPI scheme, aromatic lignin decomposition

  19. Characterization, non-isothermal decomposition kinetics and photocatalytic water splitting of green chemically synthesized polyoxoanions of molybdenum containing phosphorus as hetero atom

    International Nuclear Information System (INIS)

    D’Cruz, Bessy; Samuel, Jadu; George, Leena

    2014-01-01

    Highlights: • CPM nanorods were synthesized by applying the principles of green chemistry. • The isoconversional method was used to analyze the effective activation energy. • The appropriate reaction models of the two decomposition stages were determined. • Photocatalytic water splitting was investigated in the presence of platinum co-catalyst. - Abstract: In here, the green synthesis and thermal characterization of a novel polyoxoanions of molybdenum containing phosphorus as hetero atom are reported. The composition and morphology of the nanorods were established by fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis (TGA) and inductively coupled plasma atomic emission spectroscopic (ICP-AES) techniques. Thermal properties of the nanoparticles were investigated by non-isothermal analysis under nitrogen atmosphere. The values activation energy of each stage of thermal decomposition for all heating rates was calculated by Flynn–Wall–Ozawa (FWO) and Kissinger–Akahira–Sunnose (KAS) methods. Invariant kinetic parameter (IKP) method and master plot method were also used to evaluate the kinetic parameters and mechanism for the thermal decomposition of cetylpyridinium phosphomolybdate (CPM). Photocatalytic water oxidation mechanism using CPM catalyst in the presence of platinum (Pt) co-catalyst enhances the H 2 evolution and was found to be 1.514 mmol/g/h

  20. Characterization, non-isothermal decomposition kinetics and photocatalytic water splitting of green chemically synthesized polyoxoanions of molybdenum containing phosphorus as hetero atom

    Energy Technology Data Exchange (ETDEWEB)

    D’Cruz, Bessy [Department of Chemistry, Mar Ivanios College, Thiruvananthapuram 695015 (India); Samuel, Jadu, E-mail: jadu_samuel@yahoo.co.in [Department of Chemistry, Mar Ivanios College, Thiruvananthapuram 695015 (India); George, Leena [Catalysis and Inorganic Chemistry Division, National Chemical Laboratory, Pune 411008 (India)

    2014-11-20

    Highlights: • CPM nanorods were synthesized by applying the principles of green chemistry. • The isoconversional method was used to analyze the effective activation energy. • The appropriate reaction models of the two decomposition stages were determined. • Photocatalytic water splitting was investigated in the presence of platinum co-catalyst. - Abstract: In here, the green synthesis and thermal characterization of a novel polyoxoanions of molybdenum containing phosphorus as hetero atom are reported. The composition and morphology of the nanorods were established by fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis (TGA) and inductively coupled plasma atomic emission spectroscopic (ICP-AES) techniques. Thermal properties of the nanoparticles were investigated by non-isothermal analysis under nitrogen atmosphere. The values activation energy of each stage of thermal decomposition for all heating rates was calculated by Flynn–Wall–Ozawa (FWO) and Kissinger–Akahira–Sunnose (KAS) methods. Invariant kinetic parameter (IKP) method and master plot method were also used to evaluate the kinetic parameters and mechanism for the thermal decomposition of cetylpyridinium phosphomolybdate (CPM). Photocatalytic water oxidation mechanism using CPM catalyst in the presence of platinum (Pt) co-catalyst enhances the H{sub 2} evolution and was found to be 1.514 mmol/g/h.

  1. Thermal decomposition of the b.c.c. β-solid solution of titanium alloy containing 6.7 at% Mo, 3 at% Zr, and 1.8 at% Sn. 1

    International Nuclear Information System (INIS)

    Zakharova, M.I.; Khundzhua, A.K.; Kertesz, L.; Szasz, A.

    1981-01-01

    Changes in the crystal structure of the titanium alloy, containing 6.7 at% Mo, 3 at% Zr, and 1.8 at% Sn, during thermal decomposition are followed by means of X-ray and electron diffraction methods. Parallel to these tests the alteration in the electron structure and chemical bonds of the alloy are investigated with the help of the soft-x-ray emission (SXES) method. Attention is focussed on the at room temperature not equilibrated b.c.c. β-solid solution, on the metastable transition phase ω, and on the equilibrium phase α. (author)

  2. Structural investigation of oxovanadium(IV) Schiff base complexes: X-ray crystallography, electrochemistry and kinetic of thermal decomposition.

    Science.gov (United States)

    Asadi, Mozaffar; Asadi, Zahra; Savaripoor, Nooshin; Dusek, Michal; Eigner, Vaclav; Shorkaei, Mohammad Ranjkesh; Sedaghat, Moslem

    2015-02-05

    A series of new VO(IV) complexes of tetradentate N2O2 Schiff base ligands (L(1)-L(4)), were synthesized and characterized by FT-IR, UV-vis and elemental analysis. The structure of the complex VOL(1)⋅DMF was also investigated by X-ray crystallography which revealed a vanadyl center with distorted octahedral coordination where the 2-aza and 2-oxo coordinating sites of the ligand were perpendicular to the "-yl" oxygen. The electrochemical properties of the vanadyl complexes were investigated by cyclic voltammetry. A good correlation was observed between the oxidation potentials and the electron withdrawing character of the substituents on the Schiff base ligands, showing the following trend: MeO5-H>5-Br>5-Cl. Furthermore, the kinetic parameters of thermal decomposition were calculated by using the Coats-Redfern equation. According to the Coats-Redfern plots the kinetics of thermal decomposition of studied complexes is of the first-order in all stages, the free energy of activation for each following stage is larger than the previous one and the complexes have good thermal stability. The preparation of VOL(1)⋅DMF yielded also another compound, one kind of vanadium oxide [VO]X, with different habitus of crystals, (platelet instead of prisma) and without L(1) ligand, consisting of a V10O28 cage, diaminium moiety and dimethylamonium as a counter ions. Because its crystal structure was also new, we reported it along with the targeted complex. Copyright © 2014 Elsevier B.V. All rights reserved.

  3. A convergent overlapping domain decomposition method for total variation minimization

    KAUST Repository

    Fornasier, Massimo; Langer, Andreas; Schö nlieb, Carola-Bibiane

    2010-01-01

    In this paper we are concerned with the analysis of convergent sequential and parallel overlapping domain decomposition methods for the minimization of functionals formed by a discrepancy term with respect to the data and a total variation

  4. Time space domain decomposition methods for reactive transport - Application to CO2 geological storage

    International Nuclear Information System (INIS)

    Haeberlein, F.

    2011-01-01

    Reactive transport modelling is a basic tool to model chemical reactions and flow processes in porous media. A totally reduced multi-species reactive transport model including kinetic and equilibrium reactions is presented. A structured numerical formulation is developed and different numerical approaches are proposed. Domain decomposition methods offer the possibility to split large problems into smaller subproblems that can be treated in parallel. The class of Schwarz-type domain decomposition methods that have proved to be high-performing algorithms in many fields of applications is presented with a special emphasis on the geometrical viewpoint. Numerical issues for the realisation of geometrical domain decomposition methods and transmission conditions in the context of finite volumes are discussed. We propose and validate numerically a hybrid finite volume scheme for advection-diffusion processes that is particularly well-suited for the use in a domain decomposition context. Optimised Schwarz waveform relaxation methods are studied in detail on a theoretical and numerical level for a two species coupled reactive transport system with linear and nonlinear coupling terms. Well-posedness and convergence results are developed and the influence of the coupling term on the convergence behaviour of the Schwarz algorithm is studied. Finally, we apply a Schwarz waveform relaxation method on the presented multi-species reactive transport system. (author)

  5. Room temperature and thermal decomposition of magnesium hydride/deuteride thin films

    Energy Technology Data Exchange (ETDEWEB)

    Ares, J.R.; Leardini, F.; Bodega, J.; Macia, M.D.; Diaz-Chao, P.; Ferrer, I.J.; Fernandez, J.F.; Sanchez, C. [Universidad Autonoma de Madrid (Spain). Lab. de Materiales de Interes en Energias Renovables

    2010-07-01

    Magnesium hydride (MgH{sub 2}) can be considered an interesting material to store hydrogen as long as two main drawbacks were solved: (i) its high stability and (ii) slow (de)hydriding kinetics. In that context, magnesium hydride films are an excellent model system to investigate the influence of structure, morphology and dimensionality on kinetic and thermodynamic properties. In the present work, we show that desorption mechanism of Pd-capped MgH{sub 2} at room temperature is controlled by a bidimensional interphase mechanism and a similar rate step limiting mechanism is observed during thermal decomposition of MgH{sub 2}. This mechanism is different to that occurring in bulk MgH{sub 2} (nucleation and growth) and obtained activation energies are lower than those reported in bulk MgH{sub 2}. We also investigated the Pd-capping properties upon H-absorption/desorption by means of RBS and isotope experiments. (orig.)

  6. A one-step thermal decomposition method to prepare anatase TiO2 nanosheets with improved adsorption capacities and enhanced photocatalytic activities

    International Nuclear Information System (INIS)

    Li, Wenting; Shang, Chunli; Li, Xue

    2015-01-01

    Highlights: • Anatase TiO 2 nanosheets (NSs) with high surface area have been prepared. • Only one type of surfactant, oleylamine (OM), is used as capping agents. • TiO 2 NSs possess high adsorption capacities MB and high photocatalytic activity. - Abstract: Anatase TiO 2 nanosheets (NSs) with high surface area have been prepared via a one-step thermal decomposition of titanium tetraisopropoxide (TTIP) in oleylamine (OM), and their adsorption capacities and photocatalytic activities are investigated by using methylene blue (MB) and methyl orange (MO) as model pollutants. During the synthesis procedure, only one type of surfactant, oleylamine (OM), is used as capping agents and no other solvents are added. Structure and properties of the TiO 2 NSs were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), N 2 adsorption analysis, UV–vis spectrum, X-ray photoelectron spectroscopy (XPS) and Photoluminescence (PL) methods. The results indicate that the TiO 2 NSs possess high surface area up to 378 m 2 g −1 . The concentration of capping agents is found to be a key factor controlling the morphology and crystalline structure of the product. Adsorption and photodegradation experiments reveal that the prepared TiO 2 NSs possess high adsorption capacities of model pollutants MB and high photocatalytic activity, showing that TiO 2 NSs can be used as efficient pollutant adsorbents and photocatalytic degradation catalysts of MB in wastewater treatment.

  7. Newton-Raphson based modified Laplace Adomian decomposition method for solving quadratic Riccati differential equations

    Directory of Open Access Journals (Sweden)

    Mishra Vinod

    2016-01-01

    Full Text Available Numerical Laplace transform method is applied to approximate the solution of nonlinear (quadratic Riccati differential equations mingled with Adomian decomposition method. A new technique is proposed in this work by reintroducing the unknown function in Adomian polynomial with that of well known Newton-Raphson formula. The solutions obtained by the iterative algorithm are exhibited in an infinite series. The simplicity and efficacy of method is manifested with some examples in which comparisons are made among the exact solutions, ADM (Adomian decomposition method, HPM (Homotopy perturbation method, Taylor series method and the proposed scheme.

  8. Application of microscopy technology in thermo-catalytic methane decomposition to hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Mei, Irene Lock Sow, E-mail: irene.sowmei@gmail.com; Lock, S. S. M., E-mail: serenelock168@gmail.com; Abdullah, Bawadi, E-mail: bawadi-abdullah@petronas.com.my [Chemical Engineering Department, Universiti Teknologi PETRONAS, Bandar Sri Iskandar, 31750, Perak (Malaysia)

    2015-07-22

    Hydrogen production from the direct thermo-catalytic decomposition of methane is a promising alternative for clean fuel production because it produces pure hydrogen without any CO{sub x} emissions. However, thermal decomposition of methane can hardly be of any practical and empirical interest in the industry unless highly efficient and effective catalysts, in terms of both specific activity and operational lifetime have been developed. In this work, bimetallic Ni-Pd on gamma alumina support have been developed for methane cracking process by using co-precipitation and incipient wetness impregnation method. The calcined catalysts were characterized to determine their morphologies and physico-chemical properties by using Brunauer-Emmett-Teller method, Field Emission Scanning Electron Microscopy, Energy-dispersive X-ray spectroscopy and Thermogravimetric Analysis. The results suggested that that the catalyst which is prepared by the co-precipitation method exhibits homogeneous morphology, higher surface area, have uniform nickel and palladium dispersion and higher thermal stability as compared to the catalyst which is prepared by wet impregnation method. This characteristics are significant to avoid deactivation of the catalysts due to sintering and carbon deposition during methane cracking process.

  9. Kinetics of irreversible thermal decomposition of dissociating nitrogen dioxide with nitrogen oxide or oxygen additions

    International Nuclear Information System (INIS)

    Gvozdev, A.A.

    1987-01-01

    The effect of NO or O 2 admixtures on kinetics of the irreversible thermal decomposition of nitrogen dioxide at temperatures 460-520 deg C and pressures 4-7 MPa has been studied. It follows from experimental data that the rate of N 2 O 4 formation reduces with the increase of partial pressure of oxygen or decrease of partial pressure of nitrogen oxide. The same regularity is seen for the rate of nitrogen formation. The rate constants of N 2 O formation in dissociating nitrogen tetroxide with oxygen or nitrogen oxide additions agree satisfactorily with previously published results, obtained in stoichiometric mixtures. The appreciable discrepancy at 520 deg C is bind with considerable degree of nitrogen oxide transformation which constitutes approximately 14%. It is determined that the kinetics of formation of the products of irreversible N 2 O and N 2 decomposition in stoichiometric and non-stoichiometric 2NO 2 ↔ 2NO+O 2 mixtures is described by identical 3NO → N 2 O+NO 2 and N 2 O+NO → N 2 +NO 2 reactions

  10. Large Scale Simulation of Hydrogen Dispersion by a Stabilized Balancing Domain Decomposition Method

    Directory of Open Access Journals (Sweden)

    Qing-He Yao

    2014-01-01

    Full Text Available The dispersion behaviour of leaking hydrogen in a partially open space is simulated by a balancing domain decomposition method in this work. An analogy of the Boussinesq approximation is employed to describe the connection between the flow field and the concentration field. The linear systems of Navier-Stokes equations and the convection diffusion equation are symmetrized by a pressure stabilized Lagrange-Galerkin method, and thus a balancing domain decomposition method is enabled to solve the interface problem of the domain decomposition system. Numerical results are validated by comparing with the experimental data and available numerical results. The dilution effect of ventilation is investigated, especially at the doors, where flow pattern is complicated and oscillations appear in the past research reported by other researchers. The transient behaviour of hydrogen and the process of accumulation in the partially open space are discussed, and more details are revealed by large scale computation.

  11. Thermal decomposition studies on tri-iso-amyl phosphate in n-dodecane-nitric acid system

    International Nuclear Information System (INIS)

    Chandran, K.; Sreenivasalu, B.; Suresh, A.; Sivaraman, N.; Anthonysamy, S.

    2014-01-01

    Tri-iso-amyl Phosphate (TiAP) is a promising alternative solvent to TBP, with near similar extraction behaviour and physical properties but lower aqueous phase solubility and does not form third phase during the extraction of Pu(IV). In addition to the solubilised extractant, inadvertent entrainment of the extractant into the aqueous stream is a concern during the evaporation operation as the extractant comes into contact with higher nitric acid concentrations and metal nitrates. Hence the thermal decomposition behaviour of TiAP-HNO 3 systems has been studied using an adiabatic calorimeter in closed air ambience, under heat-wait-search mode (H-W-S)

  12. Displacement decomposition and parallelisation of the PCG method for elasticity problems

    Czech Academy of Sciences Publication Activity Database

    Blaheta, Radim; Jakl, Ondřej; Starý, Jiří

    1., 2/3/4 (2005), s. 183-191 ISSN 1742-7185 R&D Projects: GA AV ČR(CZ) IBS3086102 Institutional research plan: CEZ:AV0Z30860518 Keywords : finite element method * preconditioned conjugate gradient method * displacement decomposition Subject RIV: BA - General Mathematics

  13. Approximate rational Jacobi elliptic function solutions of the fractional differential equations via the enhanced Adomian decomposition method

    International Nuclear Information System (INIS)

    Song Lina; Wang Weiguo

    2010-01-01

    In this Letter, an enhanced Adomian decomposition method which introduces the h-curve of the homotopy analysis method into the standard Adomian decomposition method is proposed. Some examples prove that this method can derive successfully approximate rational Jacobi elliptic function solutions of the fractional differential equations.

  14. Synthesis, characterization and thermal decomposition of tetramethylammonium rare earth double selenates

    Science.gov (United States)

    Divekar, Sandesh K.; Achary, S. Nagabhusan; Ajgaonkar, Vishnu R.

    2018-06-01

    A series of double selenates, as (CH3)4NLn(SeO4)2rad 4H2O (Ln = Rare earth ion like La, Pr, Nd, Sm, Gd, Tb, Dy) was crystallized from mixed solution and characterized in detail for their structure, vibrational and optical properties as well as thermal stabilities. The crystal structure of the praseodymium compound was obtained by single crystal X-ray diffraction (XRD) and revealed a monoclinic (C2/c) lattice with chains formed by PrO8 and SeO4 units. The chains with compositions [Pr(SeO4)4(H2O)4]- are stacked in three dimensions and the (CH3)4N+ ions located in between them provide charge neutrality to the structure. The characterization of other compounds were carried out from powder XRD data and revealed that they all are isostructural to Pr-compound. All the functional groups were identified by Raman and IR spectroscopic studies. Solid state 77Se NMR revealed noticeable changes in selenium environment in these compounds. The optical absorption studies on the compounds show strong band edge absorptions in UV region. Thermal stabilities of the compounds, as investigated by simultaneous TG-DTA techniques indicate their sequential decompositions due to loss of H2O, (CH3)4N+ group, SeO2 and finally leaving their corresponding rare earth oxides.

  15. Decomposition of methane hydrate for hydrogen production using microwave and radio frequency in-liquid plasma methods

    International Nuclear Information System (INIS)

    Rahim, Ismail; Nomura, Shinfuku; Mukasa, Shinobu; Toyota, Hiromichi

    2015-01-01

    This research involves two in-liquid plasma methods of methane hydrate decomposition, one using radio frequency wave (RF) irradiation and the other microwave radiation (MW). The ultimate goal of this research is to develop a practical process for decomposition of methane hydrate directly at the subsea site for fuel gas production. The mechanism for methane hydrate decomposition begins with the dissociation process of methane hydrate formed by CH_4 and water. The process continues with the simultaneously occurring steam methane reforming process and methane cracking reaction, during which the methane hydrate is decomposed releasing CH_4 into H_2, CO and other by-products. It was found that methane hydrate can be decomposed with a faster rate of CH_4 release using microwave irradiation over that using radio frequency irradiation. However, the radio frequency plasma method produces hydrogen with a purity of 63.1% and a CH conversion ratio of 99.1%, which is higher than using microwave plasma method which produces hydrogen with a purity of 42.1% and CH_4 conversion ratio of 85.5%. - Highlights: • The decomposition of methane hydrate is proposed using plasma in-liquid method. • Synthetic methane hydrate is used as the sample for decomposition in plasma. • Hydrogen can be produced from decomposition of methane hydrate. • Hydrogen purity is higher when using radio frequency stimulation.

  16. Thermal Decomposition Characteristics of Orthorhombic Ammonium Perchlorate (o-AP) and an 0-AP/HTPB-Based Propellant

    International Nuclear Information System (INIS)

    BEHRENS JR., RICHARD; MINIER, LEANNA M.G.

    1999-01-01

    A study to characterize the low-temperature reactive processes for o-AP and an AP/HTPB-based propellant (class 1.3) is being conducted in the laboratory using the techniques of simultaneous thermogravimetric modulated beam mass spectrometry (STMBMS) and scanning electron microscopy (SEM). The results presented in this paper are a follow up of the previous work that showed the overall decomposition to be complex and controlled by both physical and chemical processes. The decomposition is characterized by the occurrence of one major event that consumes up to(approx)35% of the AP, depending upon particle size, and leaves behind a porous agglomerate of AP. The major gaseous products released during this event include H(sub 2)O, O(sub 2), Cl(sub 2), N(sub 2)O and HCl. The recent efforts provide further insight into the decomposition processes for o-AP. The temporal behaviors of the gas formation rates (GFRs) for the products indicate that the major decomposition event consists of three chemical channels. The first and third channels are affected by the pressure in the reaction cell and occur at the surface or in the gas phase above the surface of the AP particles. The second channel is not affected by pressure and accounts for the solid-phase reactions characteristic of o-AP. The third channel involves the interactions of the decomposition products with the surface of the AP. SEM images of partially decomposed o-AP provide insight to how the morphology changes as the decomposition progresses. A conceptual model has been developed, based upon the STMBMS and SEM results, that provides a basic description of the processes. The thermal decomposition characteristics of the propellant are evaluated from the identities of the products and the temporal behaviors of their GFRs. First, the volatile components in the propellant evolve from the propellant as it is heated. Second, the hot AP (and HClO(sub 4)) at the AP-binder interface oxidize the binder through reactions that

  17. Characterization and photo-chemical applications of nano-ZnO prepared by wet chemical and thermal decomposition methods

    International Nuclear Information System (INIS)

    Mousa, M.A.; Bayoumy, W.A.A.; Khairy, M.

    2013-01-01

    Graphical abstract: - Highlights: • Nano-ZnO particles were synthesized by soft-wet precipitation and dry methods. • ZnO nanoparticle with different morphologies was obtained. • Nano ZnO samples showed a high photocatalytic activity. • ZnO nanoparticle showed strong ultraviolet emission at room temperature. • The samples showed high biological activity depending on their synthetic method. - Abstract: Nano-crystalline ZnO particles were synthesized using two different routes: soft-wet and dry methods. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were used to identify the particles structures and morphologies, while X-ray diffraction (XRD) was used for verifying the particles crystal structure. The thermal stabilities of the particles were examined through thermal gravimetric analysis technique and their surface areas were calculated using BET method. Moreover, the photocatalytic activities were evaluated using UV–vis spectroscopy and photoluminescence (PL) characterization. The results showed that all the prepared ZnO samples possess a hexagonal wurtzite structure with high purity. Different particle sizes and morphologies of spheres, rods and wires were obtained depending on the preparation method used. Particle sizes obtained by the dry method are smaller than that found by the wet chemical method. The effects of both particle size and morphology on each of surface as well as optical properties, photocatalytic activity, dye/ZnO solar cell efficiency and biological activity have been studied and discussed

  18. Physical Properties and Thermal Decomposition of Aqueous Solutions of 2-Amino-2-hydroxymethyl-1, 3-propanediol (AHPD)

    Science.gov (United States)

    Murshid, Ghulam; Shariff, Azmi Mohd; Lau, K. K.; Bustam, Mohammad Azmi; Ahmad, Faizan

    2011-10-01

    Physical properties such as density, viscosity, refractive index, surface tension, and thermal stability of 2-amino-2-hydroxymethyl-1,3-propanediol (AHPD) were experimentally measured. All the experimental measurements were made over a wide range of temperatures from (298.15 to 333.15) K and AHPD concentrations of (1, 7, 13, 19, and 25) mass%. An overall decrease in all the measured physical properties was observed with increasing temperature. The experimental results are presented as a function of temperature and AHPD mass fraction. All the measured physical properties were correlated as a function of temperature. Thermal decomposition of pure and aqueous solutions of AHPD was investigated using a thermo-gravimetric analyzer (TGA) at a heating rate of 10 K · min-1.

  19. Methods of forming thermal management systems and thermal management methods

    Science.gov (United States)

    Gering, Kevin L.; Haefner, Daryl R.

    2012-06-05

    A thermal management system for a vehicle includes a heat exchanger having a thermal energy storage material provided therein, a first coolant loop thermally coupled to an electrochemical storage device located within the first coolant loop and to the heat exchanger, and a second coolant loop thermally coupled to the heat exchanger. The first and second coolant loops are configured to carry distinct thermal energy transfer media. The thermal management system also includes an interface configured to facilitate transfer of heat generated by an internal combustion engine to the heat exchanger via the second coolant loop in order to selectively deliver the heat to the electrochemical storage device. Thermal management methods are also provided.

  20. An Efficient Local Correlation Matrix Decomposition Approach for the Localization Implementation of Ensemble-Based Assimilation Methods

    Science.gov (United States)

    Zhang, Hongqin; Tian, Xiangjun

    2018-04-01

    Ensemble-based data assimilation methods often use the so-called localization scheme to improve the representation of the ensemble background error covariance (Be). Extensive research has been undertaken to reduce the computational cost of these methods by using the localized ensemble samples to localize Be by means of a direct decomposition of the local correlation matrix C. However, the computational costs of the direct decomposition of the local correlation matrix C are still extremely high due to its high dimension. In this paper, we propose an efficient local correlation matrix decomposition approach based on the concept of alternating directions. This approach is intended to avoid direct decomposition of the correlation matrix. Instead, we first decompose the correlation matrix into 1-D correlation matrices in the three coordinate directions, then construct their empirical orthogonal function decomposition at low resolution. This procedure is followed by the 1-D spline interpolation process to transform the above decompositions to the high-resolution grid. Finally, an efficient correlation matrix decomposition is achieved by computing the very similar Kronecker product. We conducted a series of comparison experiments to illustrate the validity and accuracy of the proposed local correlation matrix decomposition approach. The effectiveness of the proposed correlation matrix decomposition approach and its efficient localization implementation of the nonlinear least-squares four-dimensional variational assimilation are further demonstrated by several groups of numerical experiments based on the Advanced Research Weather Research and Forecasting model.

  1. Hybrid subgroup decomposition method for solving fine-group eigenvalue transport problems

    International Nuclear Information System (INIS)

    Yasseri, Saam; Rahnema, Farzad

    2014-01-01

    Highlights: • An acceleration technique for solving fine-group eigenvalue transport problems. • Coarse-group quasi transport theory to solve coarse-group eigenvalue transport problems. • Consistent and inconsistent formulations for coarse-group quasi transport theory. • Computational efficiency amplified by a factor of 2 using hybrid SGD for 1D BWR problem. - Abstract: In this paper, a new hybrid method for solving fine-group eigenvalue transport problems is developed. This method extends the subgroup decomposition method to efficiently couple a new coarse-group quasi transport theory with a set of fixed-source transport decomposition sweeps to obtain the fine-group transport solution. The advantages of the quasi transport theory are its high accuracy, straight-forward implementation and numerical stability. The hybrid method is analyzed for a 1D benchmark problem characteristic of boiling water reactors (BWR). It is shown that the method reproduces the fine-group transport solution with high accuracy while increasing the computational efficiency up to 12 times compared to direct fine-group transport calculations

  2. On formation mechanism of Pd-Ir bimetallic nanoparticles through thermal decomposition of [Pd(NH{sub 3}){sub 4}][IrCl{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Asanova, Tatyana I., E-mail: nti@niic.nsc.ru; Asanov, Igor P. [Nikolaev Institute of Inorganic Chemistry SB RAS (Russian Federation); Kim, Min-Gyu [Pohang University of Science and Technology, Beamline Research Division (Korea, Republic of); Gerasimov, Evgeny Yu. [Boreskov Institute of Catalysis SB RAS (Russian Federation); Zadesenets, Andrey V.; Plyusnin, Pavel E.; Korenev, Sergey V. [Nikolaev Institute of Inorganic Chemistry SB RAS (Russian Federation)

    2013-10-15

    The formation mechanism of Pd-Ir nanoparticles during thermal decomposition of double complex salt [Pd(NH{sub 3}){sub 4}][IrCl{sub 6}] has been studied by in situ X-ray absorption (XAFS) and photoelectron (XPS) spectroscopies. The changes in the structure of the Pd and Ir closest to the surroundings and chemical states of Pd, Ir, Cl, and N atoms were traced in the range from room temperature to 420 Degree-Sign C in inert atmosphere. It was established that the thermal decomposition process is carried out in 5 steps. The Pd-Ir nanoparticles are formed in pyramidal/rounded Pd-rich (10-200 nm) and dendrite Ir-rich (10-50 nm) solid solutions. A d charge depletion at Ir site and a gain at Pd, as well as the intra-atomic charge redistribution between the outer d and s and p electrons of both Ir and Pd in Pd-Ir nanoparticles, were found to occur.Graphical Abstract.

  3. Analysis of ZDDP Content and Thermal Decomposition in Motor Oils Using NAA and NMR

    Science.gov (United States)

    Ferguson, S.; Johnson, J.; Gonzales, D.; Hobbs, C.; Allen, C.; Williams, S.

    Zinc dialkyldithiophosphates (ZDDPs) are one of the most common anti-wear additives present in commercially-available motor oils. The ZDDP concentrations of motor oils are most commonly determined using inductively coupled plasma atomic emission spectroscopy (ICP-AES). As part of an undergraduate research project, we have determined the Zn concentrations of eight commercially-available motor oils and one oil additive using neutron activation analysis (NAA), which has potential for greater accuracy and less sensitivity to matrix effects as compared to ICP-AES. The 31P nuclear magnetic resonance (31P-NMR) spectra were also obtained for several oil additive samples which have been heated to various temperatures in order to study the thermal decomposition of ZDDPs.

  4. Domain decomposition method for solving elliptic problems in unbounded domains

    International Nuclear Information System (INIS)

    Khoromskij, B.N.; Mazurkevich, G.E.; Zhidkov, E.P.

    1991-01-01

    Computational aspects of the box domain decomposition (DD) method for solving boundary value problems in an unbounded domain are discussed. A new variant of the DD-method for elliptic problems in unbounded domains is suggested. It is based on the partitioning of an unbounded domain adapted to the given asymptotic decay of an unknown function at infinity. The comparison of computational expenditures is given for boundary integral method and the suggested DD-algorithm. 29 refs.; 2 figs.; 2 tabs

  5. A one-step thermal decomposition method to prepare anatase TiO{sub 2} nanosheets with improved adsorption capacities and enhanced photocatalytic activities

    Energy Technology Data Exchange (ETDEWEB)

    Li, Wenting; Shang, Chunli; Li, Xue, E-mail: chm_lix@ujn.edu.cn

    2015-12-01

    Highlights: • Anatase TiO{sub 2} nanosheets (NSs) with high surface area have been prepared. • Only one type of surfactant, oleylamine (OM), is used as capping agents. • TiO{sub 2} NSs possess high adsorption capacities MB and high photocatalytic activity. - Abstract: Anatase TiO{sub 2} nanosheets (NSs) with high surface area have been prepared via a one-step thermal decomposition of titanium tetraisopropoxide (TTIP) in oleylamine (OM), and their adsorption capacities and photocatalytic activities are investigated by using methylene blue (MB) and methyl orange (MO) as model pollutants. During the synthesis procedure, only one type of surfactant, oleylamine (OM), is used as capping agents and no other solvents are added. Structure and properties of the TiO{sub 2} NSs were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), N{sub 2} adsorption analysis, UV–vis spectrum, X-ray photoelectron spectroscopy (XPS) and Photoluminescence (PL) methods. The results indicate that the TiO{sub 2} NSs possess high surface area up to 378 m{sup 2} g{sup −1}. The concentration of capping agents is found to be a key factor controlling the morphology and crystalline structure of the product. Adsorption and photodegradation experiments reveal that the prepared TiO{sub 2} NSs possess high adsorption capacities of model pollutants MB and high photocatalytic activity, showing that TiO{sub 2} NSs can be used as efficient pollutant adsorbents and photocatalytic degradation catalysts of MB in wastewater treatment.

  6. Thermal decomposition of dolomite under CO2: insights from TGA and in situ XRD analysis.

    Science.gov (United States)

    Valverde, Jose Manuel; Perejon, Antonio; Medina, Santiago; Perez-Maqueda, Luis A

    2015-11-28

    Thermal decomposition of dolomite in the presence of CO2 in a calcination environment is investigated by means of in situ X-ray diffraction (XRD) and thermogravimetric analysis (TGA). The in situ XRD results suggest that dolomite decomposes directly at a temperature around 700 °C into MgO and CaO. Immediate carbonation of nascent CaO crystals leads to the formation of calcite as an intermediate product of decomposition. Subsequently, decarbonation of this poorly crystalline calcite occurs when the reaction is thermodynamically favorable and sufficiently fast at a temperature depending on the CO2 partial pressure in the calcination atmosphere. Decarbonation of this dolomitic calcite occurs at a lower temperature than limestone decarbonation due to the relatively low crystallinity of the former. Full decomposition of dolomite leads also to a relatively low crystalline CaO, which exhibits a high reactivity as compared to limestone derived CaO. Under CO2 capture conditions in the Calcium-Looping (CaL) process, MgO grains remain inert yet favor the carbonation reactivity of dolomitic CaO especially in the solid-state diffusion controlled phase. The fundamental mechanism that drives the crystallographic transformation of dolomite in the presence of CO2 is thus responsible for its fast calcination kinetics and the high carbonation reactivity of dolomitic CaO, which makes natural dolomite a potentially advantageous alternative to limestone for CO2 capture in the CaL technology as well as SO2in situ removal in oxy-combustion fluidized bed reactors.

  7. A Model for Thermal Decomposition of Hydrogen Peroxide

    National Research Council Canada - National Science Library

    Heister, S

    2004-01-01

    ..., gas-phase decomposition kinetics, droplet dynamics, and control volume conservation laws. The code is adjustable for HP percent concentration for both main and secondary flows, massflow rates for both flows, and initial temperature of each...

  8. The Adomian decomposition method for solving partial differential equations of fractal order in finite domains

    Energy Technology Data Exchange (ETDEWEB)

    El-Sayed, A.M.A. [Faculty of Science University of Alexandria (Egypt)]. E-mail: amasyed@hotmail.com; Gaber, M. [Faculty of Education Al-Arish, Suez Canal University (Egypt)]. E-mail: mghf408@hotmail.com

    2006-11-20

    The Adomian decomposition method has been successively used to find the explicit and numerical solutions of the time fractional partial differential equations. A different examples of special interest with fractional time and space derivatives of order {alpha}, 0<{alpha}=<1 are considered and solved by means of Adomian decomposition method. The behaviour of Adomian solutions and the effects of different values of {alpha} are shown graphically for some examples.

  9. Calculation of shielding thickness by combining the LTSN and Decomposition methods

    International Nuclear Information System (INIS)

    Borges, Volnei; Vilhena, Marco T. de

    1997-01-01

    A combination of the LTS N and Decomposition methods is reported to shielding thickness calculation. The angular flux is evaluated solving a transport problem in planar geometry considering the S N approximation, anisotropic scattering and one-group of energy. The Laplace transform is applied in the set of S N equations. The transformed angular flux is then obtained solving a transcendental equation and the angular flux is restored by the Heaviside expansion technique. The scalar flux is attained integrating the angular flux by Gaussian quadrature scheme. On the other hand, the scalar flux is linearly related to the dose rate through the mass and energy absorption coefficient. The shielding thickness is obtained solving a transcendental equation resulting from the application of the LTS N approach by the Decomposition methods. Numerical simulations are reported. (author). 6 refs., 3 tabs

  10. Effect of catalyst for the decomposition of VOCs in a NTP reactor

    International Nuclear Information System (INIS)

    Mohanty, Suchitra; Das, Smrutiprava; Paikaray, Rita; Sahoo, Gourishankar; Samantaray, Subrata

    2015-01-01

    Air pollution has become a major cause of human distress both directly and indirectly. VOCs are becoming the major air pollutants. So the decomposition of VOCs is present need of our society. Non-thermal plasma reactor (NTP) is proven to be effective for low concentration VOCs decomposition. For safe and effective application of DBD, optimization of treatment process requires different plasma parameter characterization. So electron temperature and electron density parameters of VOCs show the decomposition path ways. In this piece of work by taking the emission spectra and comparing the line intensity ratios, the electron temperature and density were determined. Also the decomposition rate in terms of the deposited products on the dielectric surface was studied. Decomposition rate increases in presence of catalyst as compared to the pure compound in presence of a carrier gas. Decomposition process was studied by UV-VIS, FTIR, OES Spectroscopic methods and by GCMS. Deposited products are analyzed by UV-VIS and FTIR spectroscopy. Plasma parameters like electron temperature, density are studied with OES. And gaseous products are studied by GCMS showing the peaks for the by products. (author)

  11. Thermal stability of rare earth oxychlorides

    International Nuclear Information System (INIS)

    Bunda, V.V.; Shtilikha, M.V.; Golovej, V.M.

    1984-01-01

    The thermal stability of oxichlorides of the lanthanum series is investigated to determine the possibility of preparing them in the form of crystals by the method of l chemical gas-transport reactions (CTR). The lanthanide oxichlorides were subjected to thermogravimetric studies in the 20-1500 deg C temperature range under normal conditions. The temperatures of initiation of incongruent decomposition reactions are found. It is found that the process of LnOCl decomposition is preceeded by the exothermal effect connected with the Ln 2 OCl 4 recrsytallization to LnOCl. The thermodynamic and kinetic parameters of decomposition reactions are determined, such as reaction heats ΔH, decomposition rate constants K, dissociation energies E, reaction orders n. The LnOCl specific heats (Csub(P))sub(T) are estimated. It is shown that the LnOCl compounds can be prepared in the form of monocrystals by the CTR method

  12. Decomposition of multilayer benzene and n-hexane films on vanadium.

    Science.gov (United States)

    Souda, Ryutaro

    2015-09-21

    Reactions of multilayer hydrocarbon films with a polycrystalline V substrate have been investigated using temperature-programmed desorption and time-of-flight secondary ion mass spectrometry. Most of the benzene molecules were dissociated on V, as evidenced by the strong depression in the thermal desorption yields of physisorbed species at 150 K. The reaction products dehydrogenated gradually after the multilayer film disappeared from the surface. Large amount of oxygen was needed to passivate the benzene decomposition on V. These behaviors indicate that the subsurface sites of V play a role in multilayer benzene decomposition. Decomposition of the n-hexane multilayer films is manifested by the desorption of methane at 105 K and gradual hydrogen desorption starting at this temperature, indicating that C-C bond scission precedes C-H bond cleavage. The n-hexane dissociation temperature is considerably lower than the thermal desorption temperature of the physisorbed species (140 K). The n-hexane multilayer morphology changes at the decomposition temperature, suggesting that a liquid-like phase formed after crystallization plays a role in the low-temperature decomposition of n-hexane.

  13. 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.

  14. Spectral decomposition in advection-diffusion analysis by finite element methods

    International Nuclear Information System (INIS)

    Nickell, R.E.; Gartling, D.K.; Strang, G.

    1978-01-01

    In a recent study of the convergence properties of finite element methods in nonlinear fluid mechanics, an indirect approach was taken. A two-dimensional example with a known exact solution was chosen as the vehicle for the study, and various mesh refinements were tested in an attempt to extract information on the effect of the local Reynolds number. However, more direct approaches are usually preferred. In this study one such direct approach is followed, based upon the spectral decomposition of the solution operator. Spectral decomposition is widely employed as a solution technique for linear structural dynamics problems and can be applied readily to linear, transient heat transfer analysis; in this case, the extension to nonlinear problems is of interest. It was shown previously that spectral techniques were applicable to stiff systems of rate equations, while recent studies of geometrically and materially nonlinear structural dynamics have demonstrated the increased information content of the numerical results. The use of spectral decomposition in nonlinear problems of heat and mass transfer would be expected to yield equally increased flow of information to the analyst, and this information could include a quantitative comparison of various solution strategies, meshes, and element hierarchies

  15. Domain decomposition methods for flows in faulted porous media; Methodes de decomposition de domaine pour les ecoulements en milieux poreux failles

    Energy Technology Data Exchange (ETDEWEB)

    Flauraud, E.

    2004-05-01

    In this thesis, we are interested in using domain decomposition methods for solving fluid flows in faulted porous media. This study comes within the framework of sedimentary basin modeling which its aim is to predict the presence of possible oil fields in the subsoil. A sedimentary basin is regarded as a heterogeneous porous medium in which fluid flows (water, oil, gas) occur. It is often subdivided into several blocks separated by faults. These faults create discontinuities that have a tremendous effect on the fluid flow in the basin. In this work, we present two approaches to model faults from the mathematical point of view. The first approach consists in considering faults as sub-domains, in the same way as blocks but with their own geological properties. However, because of the very small width of the faults in comparison with the size of the basin, the second and new approach consists in considering faults no longer as sub-domains, but as interfaces between the blocks. A mathematical study of the two models is carried out in order to investigate the existence and the uniqueness of solutions. Then; we are interested in using domain decomposition methods for solving the previous models. The main part of this study is devoted to the design of Robin interface conditions and to the formulation of the interface problem. The Schwarz algorithm can be seen as a Jacobi method for solving the interface problem. In order to speed up the convergence, this problem can be solved by a Krylov type algorithm (BICGSTAB). We discretize the equations with a finite volume scheme, and perform extensive numerical tests to compare the different methods. (author)

  16. Ionic liquid thermal stabilities: decomposition mechanisms and analysis tools.

    Science.gov (United States)

    Maton, Cedric; De Vos, Nils; Stevens, Christian V

    2013-07-07

    The increasing amount of papers published on ionic liquids generates an extensive quantity of data. The thermal stability data of divergent ionic liquids are collected in this paper with attention to the experimental set-up. The influence and importance of the latter parameters are broadly addressed. Both ramped temperature and isothermal thermogravimetric analysis are discussed, along with state-of-the-art methods, such as TGA-MS and pyrolysis-GC. The strengths and weaknesses of the different methodologies known to date demonstrate that analysis methods should be in line with the application. The combination of data from advanced analysis methods allows us to obtain in-depth information on the degradation processes. Aided with computational methods, the kinetics and thermodynamics of thermal degradation are revealed piece by piece. The better understanding of the behaviour of ionic liquids at high temperature allows selective and application driven design, as well as mathematical prediction for engineering purposes.

  17. Thermally induced phase transformation of pearl powder

    International Nuclear Information System (INIS)

    Zhang, Guoqing; Guo, Yili; Ao, Ju; Yang, Jing; Lv, Guanglie; Shih, Kaimin

    2013-01-01

    The polymorphic phase transformation of thermally treated pearl powder was investigated by X-ray diffraction and thermoanalytical techniques. The phase transformation was based on quantification of the calcite content at various temperatures using Rietveld refinement analysis. The results show that the phase transformation of pearl aragonite occurred within a temperature range of 360–410 °C, which is 50–100 °C lower than the range for non-biomineralized aragonite. These thermoanalytical results suggest that the phase transformation of pearl aragonite may occur immediately after the thermal decomposition of the organic matrix in the pearl powder. An important finding is that decomposition of the organic matrix may greatly facilitate such transformation by releasing additional space for an easier structural reconstruction during the phase transformation process. - Highlights: ► Providing a new method to describe the polymorphic transition of pearl powder ► The phase transition sketch was exhibited by XRD phase quantitative analysis. ► There are dozens of degrees in advance comparing to natural aragonite. ► The phase transition occurs following the thermal decomposition of organism

  18. Thermal decomposition of (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2}·2H{sub 2}O: Influence on structure, microstructure and hydrofluorination

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, R. [Univ. Lille, CNRS, Centrale Lille, ENSCL, Univ. Artois, UMR 8181 - UCCS - Unité de Catalyse et Chimie du Solide, F-59000 Lille (France); Hall de Recherche de Pierrelatte, AREVA NC, BP 16, 26701 Pierrelatte (France); Rivenet, M., E-mail: murielle.rivenet@ensc-lille.fr [Univ. Lille, CNRS, Centrale Lille, ENSCL, Univ. Artois, UMR 8181 - UCCS - Unité de Catalyse et Chimie du Solide, F-59000 Lille (France); Berrier, E. [Univ. Lille, CNRS, Centrale Lille, ENSCL, Univ. Artois, UMR 8181 - UCCS - Unité de Catalyse et Chimie du Solide, F-59000 Lille (France); Waele, I. de [Université de Lille, CNRS, UMR 8516 – LASIR - Laboratoire de Spectrochimie Infrarouge et Raman, F-59000 Lille (France); Arab, M.; Amaraggi, D.; Morel, B. [Hall de Recherche de Pierrelatte, AREVA NC, BP 16, 26701 Pierrelatte (France); Abraham, F. [Univ. Lille, CNRS, Centrale Lille, ENSCL, Univ. Artois, UMR 8181 - UCCS - Unité de Catalyse et Chimie du Solide, F-59000 Lille (France)

    2017-01-15

    The thermal decomposition of uranyl peroxide tetrahydrate, (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2}.2H{sub 2}O, was studied by combining high temperature powder X-ray diffraction, scanning electron microscopy, thermal analyses and spectroscopic techniques (Raman, IR and {sup 1}H NMR). In situ analyses reveal that intermediates and final uranium oxides obtained upon heating are different from that obtained after cooling at room temperature and that the uranyl precursor used to synthesize (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2}·2H{sub 2}O, sulfate or nitrate, has a strong influence on the peroxide thermal behavior and morphology. The decomposition of (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2}·2H{sub 2}O ex sulfate is pseudomorphic and leads to needle-like shaped particles of metastudtite, (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2}, and UO{sub 3-x}(OH){sub 2x}·zH{sub 2}O, an amorphous phase found in air in the following of (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2} dehydration. (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2}·2H{sub 2}O and the compounds resulting from its thermal decomposition are very reactive towards hydrofluorination as long as their needle-like morphology is kept.

  19. Thermal Conversion of Methane to Acetylene

    Energy Technology Data Exchange (ETDEWEB)

    Fincke, James Russell; Anderson, Raymond Paul; Hyde, Timothy Allen; Wright, Randy Ben; Bewley, Randy Lee; Haggard, Delon C; Swank, William David

    2000-01-01

    This report describes the experimental demonstration of a process for the direct thermal conversion of methane to acetylene. The process utilizes a thermal plasma heat source to dissociation products react to form a mixture of acetylene and hydrogen. The use of a supersonic expansion of the hot gas is investigated as a method of rapidly cooling (quenching) the product stream to prevent further reaction or thermal decomposition of the acetylene which can lower the overall efficiency of the process.

  20. A Decomposition-Based Pricing Method for Solving a Large-Scale MILP Model for an Integrated Fishery

    Directory of Open Access Journals (Sweden)

    M. Babul Hasan

    2007-01-01

    The IFP can be decomposed into a trawler-scheduling subproblem and a fish-processing subproblem in two different ways by relaxing different sets of constraints. We tried conventional decomposition techniques including subgradient optimization and Dantzig-Wolfe decomposition, both of which were unacceptably slow. We then developed a decomposition-based pricing method for solving the large fishery model, which gives excellent computation times. Numerical results for several planning horizon models are presented.

  1. Solving Fokker-Planck Equations on Cantor Sets Using Local Fractional Decomposition Method

    Directory of Open Access Journals (Sweden)

    Shao-Hong Yan

    2014-01-01

    Full Text Available The local fractional decomposition method is applied to approximate the solutions for Fokker-Planck equations on Cantor sets with local fractional derivative. The obtained results give the present method that is very effective and simple for solving the differential equations on Cantor set.

  2. Primal Decomposition-Based Method for Weighted Sum-Rate Maximization in Downlink OFDMA Systems

    Directory of Open Access Journals (Sweden)

    Weeraddana Chathuranga

    2010-01-01

    Full Text Available We consider the weighted sum-rate maximization problem in downlink Orthogonal Frequency Division Multiple Access (OFDMA systems. Motivated by the increasing popularity of OFDMA in future wireless technologies, a low complexity suboptimal resource allocation algorithm is obtained for joint optimization of multiuser subcarrier assignment and power allocation. The algorithm is based on an approximated primal decomposition-based method, which is inspired from exact primal decomposition techniques. The original nonconvex optimization problem is divided into two subproblems which can be solved independently. Numerical results are provided to compare the performance of the proposed algorithm to Lagrange relaxation based suboptimal methods as well as to optimal exhaustive search-based method. Despite its reduced computational complexity, the proposed algorithm provides close-to-optimal performance.

  3. Construction of Bimetallic ZIF-Derived Co-Ni LDHs on the Surfaces of GO or CNTs with a Recyclable Method: Toward Reduced Toxicity of Gaseous Thermal Decomposition Products of Unsaturated Polyester Resin.

    Science.gov (United States)

    Hou, Yanbei; Qiu, Shuilai; Hu, Yuan; Kundu, Chanchal Kumar; Gui, Zhou; Hu, Weizhao

    2018-05-16

    This work proposed an idea of recycling in preparing Co-Ni layered double hydroxide (LDH)-derived flame retardants. A novel and feasible method was developed to synthesize CO-Ni LDH-decorated graphene oxide (GO) and carbon nanotubes (CNTs), by sacrificing bimetal zeolitic imidazolate frameworks (ZIFs). Organic ligands that departed from ZIFs were recyclable and can be reused to synthesize ZIFs. ZIFs, as transitional objects, in situ synthesized on the surfaces of GO or CNTs directly suppressed the re-stacking of the carbides and facilitated the preparation of GO@LDHs and CNTs@LDHs. As-prepared hybrids catalytically reduced toxic CO yield during the thermal decomposition of unsaturated polyester resin (UPR). What is more, the release behaviors of aromatic compounds were also suppressed during the pyrolysis process of UPR composites. The addition of GO@LDHs and CNTs@LDHs obviously inhibited the heat release and smoke emission behaviors of the UPR matrix during combustion. Mechanical properties of the UPR matrix also improved by inclusion of the carbides derivatives. This work paved a feasible method to prepare well-dispersed carbides@Co-Ni LDH nanocomposites with a more environmentally friendly method.

  4. Synthesis of nanocrystalline ceria thin films by low-temperature thermal decomposition of Ce-propionate

    International Nuclear Information System (INIS)

    Roura, P.; Farjas, J.; Ricart, S.; Aklalouch, M.; Guzman, R.; Arbiol, J.; Puig, T.; Calleja, A.; Peña-Rodríguez, O.; Garriga, M.; Obradors, X.

    2012-01-01

    Thin films of Ce-propionate (thickness below 20 nm) have been deposited by spin coating and pyrolysed into ceria at temperatures below 200 °C. After 1 h of thermal treatment, no signature of the vibrational modes of Ce-propionate is detected by infrared spectroscopy, indicating that decomposition has been completed. The resulting ceria films are nanocrystalline as revealed by X-ray diffraction (average grain size of 2–2.5 nm) and confirmed by microscopy. They are transparent in the visible region and show the characteristic band gap absorption below 400 nm. A direct band gap energy of 3.50 ± 0.05 eV has been deduced irrespective of the pyrolysis temperature (160, 180 and 200 °C).

  5. Implementation of domain decomposition and data decomposition algorithms in RMC code

    International Nuclear Information System (INIS)

    Liang, J.G.; Cai, Y.; Wang, K.; She, D.

    2013-01-01

    The applications of Monte Carlo method in reactor physics analysis is somewhat restricted due to the excessive memory demand in solving large-scale problems. Memory demand in MC simulation is analyzed firstly, it concerns geometry data, data of nuclear cross-sections, data of particles, and data of tallies. It appears that tally data is dominant in memory cost and should be focused on in solving the memory problem. Domain decomposition and tally data decomposition algorithms are separately designed and implemented in the reactor Monte Carlo code RMC. Basically, the domain decomposition algorithm is a strategy of 'divide and rule', which means problems are divided into different sub-domains to be dealt with separately and some rules are established to make sure the whole results are correct. Tally data decomposition consists in 2 parts: data partition and data communication. Two algorithms with differential communication synchronization mechanisms are proposed. Numerical tests have been executed to evaluate performance of the new algorithms. Domain decomposition algorithm shows potentials to speed up MC simulation as a space parallel method. As for tally data decomposition algorithms, memory size is greatly reduced

  6. Insight to the Thermal Decomposition and Hydrogen Desorption Behaviors of NaNH2-NaBH4 Hydrogen Storage Composite.

    Science.gov (United States)

    Pei, Ziwei; Bai, Ying; Wang, Yue; Wu, Feng; Wu, Chuan

    2017-09-20

    The lightweight compound material NaNH 2 -NaBH 4 is regarded as a promising hydrogen storage composite due to the high hydrogen density. Mechanical ball milling was employed to synthesize the composite NaNH 2 -NaBH 4 (2/1 molar ratio), and the samples were investigated utilizing thermogravimetric-differential thermal analysis-mass spectroscopy (TG-DTA-MS), X-ray diffraction (XRD), and Fourier transform infrared spectroscopy (FTIR) analyses. The full-spectrum test (range of the ratio of mass to charge: 0-200) shows that the released gaseous species contain H 2 , NH 3 , B 2 H 6 , and N 2 in the heating process from room temperature to 400 °C, and possibly the impurity gas B 6 H 12 also exists. The TG/DTA analyses show that the composite NaNH 2 -NaBH 4 (2/1 molar ratio) is conductive to generate hydrogen so that the dehydrogenation process can be finished before 400 °C. Moreover, the thermal decomposition process from 200 to 400 °C involves two-step dehydrogenation reactions: (1) Na 3 (NH 2 ) 2 BH 4 hydride decomposes into Na 3 BN 2 and H 2 (200-350 °C); (2) remaining Na 3 (NH 2 ) 2 BH 4 reacts with NaBH 4 and Na 3 BN 2 , generating Na, BN, NH 3 , N 2 , and H 2 (350-400 °C). The better mechanism understanding of the thermal decomposition pathway lays a foundation for tailoring the hydrogen storage performance of the composite complex hydrides system.

  7. Power System Decomposition for Practical Implementation of Bulk-Grid Voltage Control Methods

    Energy Technology Data Exchange (ETDEWEB)

    Vallem, Mallikarjuna R.; Vyakaranam, Bharat GNVSR; Holzer, Jesse T.; Elizondo, Marcelo A.; Samaan, Nader A.

    2017-10-19

    Power system algorithms such as AC optimal power flow and coordinated volt/var control of the bulk power system are computationally intensive and become difficult to solve in operational time frames. The computational time required to run these algorithms increases exponentially as the size of the power system increases. The solution time for multiple subsystems is less than that for solving the entire system simultaneously, and the local nature of the voltage problem lends itself to such decomposition. This paper describes an algorithm that can be used to perform power system decomposition from the point of view of the voltage control problem. Our approach takes advantage of the dominant localized effect of voltage control and is based on clustering buses according to the electrical distances between them. One of the contributions of the paper is to use multidimensional scaling to compute n-dimensional Euclidean coordinates for each bus based on electrical distance to perform algorithms like K-means clustering. A simple coordinated reactive power control of photovoltaic inverters for voltage regulation is used to demonstrate the effectiveness of the proposed decomposition algorithm and its components. The proposed decomposition method is demonstrated on the IEEE 118-bus system.

  8. Homotopy decomposition method for solving one-dimensional time-fractional diffusion equation

    Science.gov (United States)

    Abuasad, Salah; Hashim, Ishak

    2018-04-01

    In this paper, we present the homotopy decomposition method with a modified definition of beta fractional derivative for the first time to find exact solution of one-dimensional time-fractional diffusion equation. In this method, the solution takes the form of a convergent series with easily computable terms. The exact solution obtained by the proposed method is compared with the exact solution obtained by using fractional variational homotopy perturbation iteration method via a modified Riemann-Liouville derivative.

  9. Decomposition method for analysis of closed queuing networks

    Directory of Open Access Journals (Sweden)

    Yu. G. Nesterov

    2014-01-01

    Full Text Available This article deals with the method to estimate the average residence time in nodes of closed queuing networks with priorities and a wide range of conservative disciplines to be served. The method is based on a decomposition of entire closed queuing network into a set of simple basic queuing systems such as M|GI|m|N for each node. The unknown average residence times in the network nodes are interrelated through a system of nonlinear equations. The fact that there is a solution of this system has been proved. An iterative procedure based on Newton-Kantorovich method is proposed for finding the solution of such system. This procedure provides fast convergence to solution. Today possibilities of proposed method are limited by known analytical solutions for simple basic queuing systems of M|GI|m|N type.

  10. Influence of Cu(NO32 initiation additive in two-stage mode conditions of coal pyrolytic decomposition

    Directory of Open Access Journals (Sweden)

    Larionov Kirill

    2017-01-01

    Full Text Available Two-stage process (pyrolysis and oxidation of brown coal sample with Cu(NO32 additive pyrolytic decomposition was studied. Additive was introduced by using capillary wetness impregnation method with 5% mass concentration. Sample reactivity was studied by thermogravimetric analysis with staged gaseous medium supply (argon and air at heating rate 10 °C/min and intermediate isothermal soaking. The initiative additive introduction was found to significantly reduce volatile release temperature and accelerate thermal decomposition of sample. Mass-spectral analysis results reveal that significant difference in process characteristics is connected to volatile matter release stage which is initiated by nitrous oxide produced during copper nitrate decomposition.

  11. Preparation of uranium dioxide by thermal decomposition and direct reduction of ammonium uranate

    International Nuclear Information System (INIS)

    Hernandez R, R.

    1995-01-01

    The thermal decomposition of ammonium uranate has been studied by infrared spectroscopy, and X-ray diffraction. It has been show that ammonia remains in the solid until substantially 350 Centigrade degrees, when gaseous nitrogen is released. It is concluded that compounds derived from the calcination of ammonium uranate at atmospheric pressure, produced amorphous U O 3 at about 350-400 Centigrade degrees and transform to U 3 O 8 via α - U O 3 and/or α - U O 3 . The object of this study was to obtain reliable fundamental information regarding the character of the pure carbon monoxide-ammonium uranate-uranium trioxide-uranium octaoxide reaction, in the range of temperatures that has been used in commercial reduction processes. Through the use of high-purity samples and by the proper control of incidental variable, this object was realized. (Author)

  12. Coupled singular and non singular thermoelastic system and double lapalce decomposition methods

    OpenAIRE

    Hassan Gadain; Hassan Gadain

    2016-01-01

    In this paper, the double Laplace decomposition methods are applied to solve the non singular and singular one dimensional thermo-elasticity coupled system and. The technique is described and illustrated with some examples

  13. Chemical kinetics on thermal decompositions of cumene hydroperoxide in cumene studied by calorimetry: An overview

    Energy Technology Data Exchange (ETDEWEB)

    Duh, Yih-Shing, E-mail: yihshingduh@yahoo.com.tw [Department of Occupation Safety and Health, Jen-Teh Junior College of Medicine, Nursing and Management, Miaoli, 35664, Taiwan, ROC (China); Department of Safety, Health and Environmental Engineering, National United University, No. 1 Lien-Da, Miaoli, 36052, Taiwan, ROC (China)

    2016-08-10

    Highlights: • Chemical kinetics on thermal decompositions of CHP are conducted and summarized. • Kinetics agrees well between data from DSC and adiabatic calorimetry. • Ea is determined to be about 120 kJ mol{sup −1} by various calorimetry. • LogA (A in s{sup −1}) is determined to be about 11.8 by various calorimetry. - Abstract: Study on chemical kinetics related to the thermal decomposition of cumene hydoperoxide (CHP) in cumene is summarized in this work. It is of great importance to gather and compare the differences between these kinetic parameters for further substantial applications in the chemical industry and process safety. CHP has been verified to possess an autocatalytic behavior by using microcalorimetry (such as TAM and C-80) operated at isothermal mode in the temperature range from 70 °C to 120 °C. However, it exhibits a reaction of n-th order detected by non-isothermal DSC scanning and adiabatic calorimeter. By the isothermal aging tests, activation energy and frequency factor in logA(s{sup −1}) were averaged to be (117.3 ± 5.9) kJ mol{sup −1}and (11.4 ± 0.3), respectively. Kinetic parameters acquired from data of interlaboratories by using heat-flow calorimetry, the averaged activation energy and frequency factor in logA(s{sup −1}) were (119.3 ± 11.3) kJ mol{sup −1}and (12.0 ± 0.2), respectively. On the analogy of results from adiabatic calorimetry, the activation energy and frequency factor in logA(s{sup −1}) were respectively averaged to be (122.4 ± 9.2) kJ mol{sup −1}and (11.8 ± 0.8). Five sets of kinetic models in relation to autocatalytic reactions are collected and discussed as well.

  14. Catalytic Decomposition of Hydroxylammonium Nitrate Ionic Liquid: Enhancement of NO Formation

    Science.gov (United States)

    2017-04-24

    decomposition due to reduction in the acidity (i.e., [HNO3]) in the mixture. Reaction 2 has an activation barrier of Ea = 105 kJ/mol and is dominant at low...Propellants. Appl . Catal., B 2006, 62, 217−225. (15) Amariei, D.; Courtheóux, L.; Rossignol, S.; Kappenstein, C. Catalytic and Thermal Decomposition...Monopropellants: Thermal and Catalytic Decom- position Processes. Appl . Catal., B 2012, 127, 121−128. (19) Amrousse, R.; Katsumi, T.; Itouyama, N.; Azuma

  15. Europlexus: a domain decomposition method in explicit dynamics

    International Nuclear Information System (INIS)

    Faucher, V.; Hariddh, Bung; Combescure, A.

    2003-01-01

    Explicit time integration methods are used in structural dynamics to simulate fast transient phenomena, such as impacts or explosions. A very fine analysis is required in the vicinity of the loading areas but extending the same method, and especially the same small time-step, to the whole structure frequently yields excessive calculation times. We thus perform a dual Schur domain decomposition, to divide the global problem into several independent ones, to which is added a reduced size interface problem, to ensure connections between sub-domains. Each sub-domain is given its own time-step and its own mesh fineness. Non-matching meshes at the interfaces are handled. An industrial example demonstrates the interest of our approach. (authors)

  16. Representation of discrete Steklov-Poincare operator arising in domain decomposition methods in wavelet basis

    Energy Technology Data Exchange (ETDEWEB)

    Jemcov, A.; Matovic, M.D. [Queen`s Univ., Kingston, Ontario (Canada)

    1996-12-31

    This paper examines the sparse representation and preconditioning of a discrete Steklov-Poincare operator which arises in domain decomposition methods. A non-overlapping domain decomposition method is applied to a second order self-adjoint elliptic operator (Poisson equation), with homogeneous boundary conditions, as a model problem. It is shown that the discrete Steklov-Poincare operator allows sparse representation with a bounded condition number in wavelet basis if the transformation is followed by thresholding and resealing. These two steps combined enable the effective use of Krylov subspace methods as an iterative solution procedure for the system of linear equations. Finding the solution of an interface problem in domain decomposition methods, known as a Schur complement problem, has been shown to be equivalent to the discrete form of Steklov-Poincare operator. A common way to obtain Schur complement matrix is by ordering the matrix of discrete differential operator in subdomain node groups then block eliminating interface nodes. The result is a dense matrix which corresponds to the interface problem. This is equivalent to reducing the original problem to several smaller differential problems and one boundary integral equation problem for the subdomain interface.

  17. Spinodal decomposition of austenite in long-term-aged duplex stainless steel

    International Nuclear Information System (INIS)

    Chung, H.M.

    1989-02-01

    Spinodal decomposition of austenite phase in the cast duplex stainless steels CF-8 and -8M grades has been observed after long- term thermal aging at 400 and 350/degree/C for 30,000 h (3.4 yr). At 320/degree/C, the reaction was observed only at the limited region near the austenite grain boundaries. Ni segregation and ''worm-holes'' corresponding to the spatial microchemical fluctuations have been confirmed. The decomposition was observed only for heats containing relatively high overall Ni content (9.6--12.0 wt %) but not in low-Ni (8.0--9.4 wt %) heats. In some specimens showing a relatively advanced stage of decomposition, localized regions of austenite with a Vickers hardness of 340--430 were observed. However, the effect of austenite decomposition on the overall material toughness appears secondary for aging up to 3--5 yr in comparison with the effect of the faster spinodal decomposition in ferrite phase. The observation of the thermally driven spinodal decomposition of the austenite phase in cast duplex stainless steels validates the proposition that a miscibility gap occurs in Fe-Ni and ancillary systems. 16 refs., 7 figs., 1 tab

  18. B-spline Collocation with Domain Decomposition Method

    International Nuclear Information System (INIS)

    Hidayat, M I P; Parman, S; Ariwahjoedi, B

    2013-01-01

    A global B-spline collocation method has been previously developed and successfully implemented by the present authors for solving elliptic partial differential equations in arbitrary complex domains. However, the global B-spline approximation, which is simply reduced to Bezier approximation of any degree p with C 0 continuity, has led to the use of B-spline basis of high order in order to achieve high accuracy. The need for B-spline bases of high order in the global method would be more prominent in domains of large dimension. For the increased collocation points, it may also lead to the ill-conditioning problem. In this study, overlapping domain decomposition of multiplicative Schwarz algorithm is combined with the global method. Our objective is two-fold that improving the accuracy with the combination technique, and also investigating influence of the combination technique to the employed B-spline basis orders with respect to the obtained accuracy. It was shown that the combination method produced higher accuracy with the B-spline basis of much lower order than that needed in implementation of the initial method. Hence, the approximation stability of the B-spline collocation method was also increased.

  19. Superparamagnetism and spin-glass like state for the MnFe{sub 2}O{sub 4} nano-particles synthesized by the thermal decomposition method

    Energy Technology Data Exchange (ETDEWEB)

    Gao Ruorui [Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education, School of Physics and Technology, Wuhan University, Wuhan 430072 (China); Zhang Yue, E-mail: yue-zhang@mail.hust.edu.cn [Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education, School of Physics and Technology, Wuhan University, Wuhan 430072 (China); Department of Electric Science and Technology, Huazhong University of Science and Technology, Wuhan 430074 (China); Yu Wei [Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education, School of Physics and Technology, Wuhan University, Wuhan 430072 (China); Xiong Rui [Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education, School of Physics and Technology, Wuhan University, Wuhan 430072 (China); Key Laboratory for the Green Preparation and Application of Functional Materials of Ministry of Education, Hubei University, Wuhan 430062 (China); Shi Jing [Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education, School of Physics and Technology, Wuhan University, Wuhan 430072 (China); Key Laboratory for the Green Preparation and Application of Functional Materials of Ministry of Education, Hubei University, Wuhan 430062 (China); International Center for Material Physics, Shen Yang 110015 (China)

    2012-08-15

    MnFe{sub 2}O{sub 4} nano-particles with an average size of about 7 nm were synthesized by the thermal decomposition method. Based on the magnetic hysteresis loops measured at different temperatures the temperature-dependent saturation magnetization (M{sub S}) and coercivity (H{sub C}) are determined. It is shown that above 20 K the temperature-dependence of the M{sub S} and H{sub C} indicates the magnetic behaviors in the single-domain nano-particles, while below 20 K, the change of the M{sub S} and H{sub C} indicates the freezing of the spin-glass like state on the surfaces. By measuring the magnetization-temperature (M-T) curves under the zero-field-cooling (ZFC) and field-cooling procedures at different applied fields, superparamagnetism behavior is also studied. Even though in the ZFC M-T curves peaks can be observed below 160 K, superparamagnetism does not appear until the temperature goes above 300 K, which is related with the strong inter-particle interaction. - Highlights: Black-Right-Pointing-Pointer MnFe{sub 2}O{sub 4} nano-particles with size of 7 nm were prepared. Black-Right-Pointing-Pointer The surface spin-glass like state is frozen below 20 K. Black-Right-Pointing-Pointer The peaks in ZFC magnetization-temperature curves are observed below 160 K. Black-Right-Pointing-Pointer The inter-particle interaction inhibits the superparamagnetism at room temperature.

  20. Sponge-like silver obtained by decomposition of silver nitrate hexamethylenetetramine complex

    International Nuclear Information System (INIS)

    Afanasiev, Pavel

    2016-01-01

    Silver nitrate hexamethylenetetramine [Ag(NO 3 )·N 4 (CH 2 ) 6 ] coordination compound has been prepared via aqueous route and characterized by chemical analysis, XRD and electron microscopy. Decomposition of [Ag(NO 3 )·N 4 (CH 2 ) 6 ] under hydrogen and under inert has been studied by thermal analysis and mass spectrometry. Thermal decomposition of [Ag(NO 3 )·N 4 (CH 2 ) 6 ] proceeds in the range 200–250 °C as a self-propagating rapid redox process accompanied with the release of multiple gases. The decomposition leads to formation of sponge-like silver having hierarchical open pore system with pore size spanning from 10 µm to 10 nm. The as-obtained silver sponges exhibited favorable activity toward H 2 O 2 electrochemical reduction, making them potentially interesting as non-enzyme hydrogen peroxide sensors. - Graphical abstract: Thermal decomposition of silver nitrate hexamethylenetetramine coordination compound [Ag(NO 3 )·N 4 (CH 2 ) 6 ] leads to sponge like silver that possesses open porous structure and demonstrates interesting properties as an electrochemical hydrogen peroxide sensor. Display Omitted - Highlights: • [Ag(NO 3 )·N 4 (CH 2 ) 6 ] orthorhombic phase prepared and characterized. • Decomposition of [Ag(NO 3 )·N 4 (CH 2 ) 6 ] leads to metallic silver sponge with opened porosity. • Ag sponge showed promising properties as a material for hydrogen peroxide sensors.

  1. Thermal decomposition of hydrotalcite-like compounds studied by a novel tapered element oscillating microbalance (TEOM)

    International Nuclear Information System (INIS)

    Perez-Ramirez, Javier; Abello, Sonia

    2006-01-01

    For the first time, we report on the application of a tapered element oscillating microbalance (TEOM) as a novel technique to investigate the thermal decomposition of hydrotalcite-like compounds (HTlcs) in air. Experiments were performed in the temperature range of 323-973 K with Mg-Al, Ni-Al, and Co-Al-HTlcs. The TEOM technique measures mass changes based on inertial forces, presenting important advantages over conventional thermogravimetric analyzers, such as the very rapid time response and the well-defined flow pattern. In general terms, excellent agreement between TEOM, TGA, and DTA techniques during HTlc decomposition was obtained. Interestingly, transition temperatures in the TEOM were lower than in TGA and DTA, particularly for removal of interlayer water but also for dehydroxylation of the brucite-like layers and decarbonation. This was attributed to the flow-through operation in the tapered element of the TEOM as compared to the recognized gas stagnancy and bypass in sample crucibles of conventional thermogravimetric analyzers. Our results conclude that the TEOM technique is suitable for temperature-programmed studies. However, due to its operation principle, blank runs are required in contrast to the more automatic operation in commercial thermogravimetric units. Besides, a careful sample loading and packing in the micro-reactor is essential for reproducible results

  2. Laser-induced diffusion decomposition in Fe–V thin-film alloys

    Energy Technology Data Exchange (ETDEWEB)

    Polushkin, N.I., E-mail: nipolushkin@fc.ul.pt [Instituto Superior Técnico, Universidade de Lisboa, 1049-001 Lisboa (Portugal); Instituto de Ciência e Engenharia de Materiais e Superfícies, 1049-001 Lisboa (Portugal); Duarte, A.C.; Conde, O. [Departamento de Física, Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa (Portugal); Instituto de Ciência e Engenharia de Materiais e Superfícies, 1049-001 Lisboa (Portugal); Alves, E. [Associação Euratom/IST e Instituto de Plasmas e Fusão Nuclear, Instituto Superior Técnico, Universidade de Lisboa, 1049-001 Lisboa (Portugal); Barradas, N.P. [Centro de Ciências e Tecnologias Nucleares, Instituto Superior Técnico, Universidade de Lisboa, 2695-066 Bobadela LRS (Portugal); García-García, A.; Kakazei, G.N.; Ventura, J.O.; Araujo, J.P. [Departamento de Física, Universidade do Porto e IFIMUP, 4169-007 Porto (Portugal); Oliveira, V. [Instituto de Ciência e Engenharia de Materiais e Superfícies, 1049-001 Lisboa (Portugal); Instituto Superior de Engenharia de Lisboa, 1959-007 Lisboa (Portugal); Vilar, R. [Instituto Superior Técnico, Universidade de Lisboa, 1049-001 Lisboa (Portugal); Instituto de Ciência e Engenharia de Materiais e Superfícies, 1049-001 Lisboa (Portugal)

    2015-05-01

    Highlights: • Irradiation of an Fe–V alloy by femtosecond laser triggers diffusion decomposition. • The decomposition occurs with strongly enhanced (∼4 orders) atomic diffusivity. • This anomaly is associated with the metallic glassy state achievable under laser quenching. • The ultrafast diffusion decomposition is responsible for laser-induced ferromagnetism. - Abstract: We investigate the origin of ferromagnetism induced in thin-film (∼20 nm) Fe–V alloys by their irradiation with subpicosecond laser pulses. We find with Rutherford backscattering that the magnetic modifications follow a thermally stimulated process of diffusion decomposition, with formation of a-few-nm-thick Fe enriched layer inside the film. Surprisingly, similar transformations in the samples were also found after their long-time (∼10{sup 3} s) thermal annealing. However, the laser action provides much higher diffusion coefficients (∼4 orders of magnitude) than those obtained under standard heat treatments. We get a hint that this ultrafast diffusion decomposition occurs in the metallic glassy state achievable in laser-quenched samples. This vitrification is thought to be a prerequisite for the laser-induced onset of ferromagnetism that we observe.

  3. The surface quasiliquid melt acceleration and the role of thermodynamic phase in the thermal decomposition of crystalline organic explosives

    Energy Technology Data Exchange (ETDEWEB)

    Henson, Bryan F [Los Alamos National Laboratory

    2010-01-01

    We show that melt acceleration in the thermal decomposition of crystalline organic solids is a manifestation of the surface quasiliquid phase. We derive a single universal rate law for melt acceleration that is a simple function of the metastable liquid activity below the melting point, and has a zero order term proportional to the quasiliquid thickness. We argue that the underlying mechanisms of this model will provide a molecular definition for the stability of the class of secondary explosives.

  4. Accelerated Thermal Cycling Test of Microencapsulated Paraffin Wax/Polyaniline Made by Simple Preparation Method for Solar Thermal Energy Storage.

    Science.gov (United States)

    Silakhori, Mahyar; Naghavi, Mohammad Sajad; Metselaar, Hendrik Simon Cornelis; Mahlia, Teuku Meurah Indra; Fauzi, Hadi; Mehrali, Mohammad

    2013-04-29

    Microencapsulated paraffin wax/polyaniline was prepared using a simple in situ polymerization technique, and its performance characteristics were investigated. Weight losses of samples were determined by Thermal Gravimetry Analysis (TGA). The microencapsulated samples with 23% and 49% paraffin showed less decomposition after 330 °C than with higher percentage of paraffin. These samples were then subjected to a thermal cycling test. Thermal properties of microencapsulated paraffin wax were evaluated by Differential Scanning Calorimeter (DSC). Structure stability and compatibility of core and coating materials were also tested by Fourier transform infrared spectrophotometer (FTIR), and the surface morphology of the samples are shown by Field Emission Scanning Electron Microscopy (FESEM). It has been found that the microencapsulated paraffin waxes show little change in the latent heat of fusion and melting temperature after one thousand thermal recycles. Besides, the chemical characteristics and structural profile remained constant after one thousand thermal cycling tests. Therefore, microencapsulated paraffin wax/polyaniline is a stable material that can be used for thermal energy storage systems.

  5. Economically attractive route for the preparation of high quality magnetic nanoparticles by the thermal decomposition of iron(III) acetylacetonate.

    Science.gov (United States)

    Effenberger, Fernando B; Couto, Ricardo A; Kiyohara, Pedro K; Machado, Giovanna; Masunaga, Sueli H; Jardim, Renato F; Rossi, Liane M

    2017-03-17

    The thermal decomposition (TD) methods are among the most successful in obtaining magnetic nanoparticles with a high degree of control of size and narrow particle size distribution. Here we investigated the TD of iron(III) acetylacetonate in the presence of oleic acid, oleylamine, and a series of alcohols in order to disclose their role and also investigate economically attractive alternatives for the synthesis of iron oxide nanoparticles without compromising their size and shape control. We have found that some affordable and reasonably less priced alcohols, such as 1,2-octanediol and cyclohexanol, may replace the commonly used and expensive 1,2-hexadecanediol, providing an economically attractive route for the synthesis of high quality magnetic nanoparticles. The relative cost for the preparation of Fe 3 O 4 NPs is reduced to only 21% and 9% of the original cost when using 1,2-octanediol and cyclohexanol, respectively.

  6. Finding all real roots of a polynomial by matrix algebra and the Adomian decomposition method

    Directory of Open Access Journals (Sweden)

    Hooman Fatoorehchi

    2014-10-01

    Full Text Available In this paper, we put forth a combined method for calculation of all real zeroes of a polynomial equation through the Adomian decomposition method equipped with a number of developed theorems from matrix algebra. These auxiliary theorems are associated with eigenvalues of matrices and enable convergence of the Adomian decomposition method toward different real roots of the target polynomial equation. To further improve the computational speed of our technique, a nonlinear convergence accelerator known as the Shanks transform has optionally been employed. For the sake of illustration, a number of numerical examples are given.

  7. 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)

  8. Preparation of CoFeO Nanocrystallites by Solvothermal Process and Its Catalytic Activity on the Thermal Decomposition of Ammonium Perchlorate

    Directory of Open Access Journals (Sweden)

    Shusen Zhao

    2010-01-01

    Full Text Available Nanometer cobalt ferrite (CoFe2O4 was synthesized by polyol-medium solvothermal method and characterized by X-ray diffraction (XRD, transmission electron microscopy (TEM, and selected area electron diffraction (SAED. Further, the catalytic activity and kinetic parameters of CoFe2O4 nanocrystallites on the thermal decomposition behavior of ammonium perchlorate (AP have been investigated by thermogravimetry and differential scanning calorimetry analysis (TG-DSC. The results imply that the catalytic performance of CoFe2O4 nanocrystallites is significant and the decrease in the activation energy and the increase in the rate constant for AP further confirm the enhancement in catalytic activity of CoFe2O4 nanocrystallites. A mechanism based on an proton transfer process has also been proposed for AP in the presence of CoFe2O4 nanocrystallites.

  9. Domain decomposition methods for the mixed dual formulation of the critical neutron diffusion problem; Methodes de decomposition de domaine pour la formulation mixte duale du probleme critique de la diffusion des neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Guerin, P

    2007-12-15

    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, diffusion approximation is often used. For this problem, the MINOS solver based on a mixed dual finite element method has shown his efficiency. In order to take advantage of parallel computers, and to reduce the computing time and the local memory requirement, we propose in this dissertation two domain decomposition methods for the resolution of the mixed dual form of the eigenvalue neutron diffusion problem. The first approach is a component mode synthesis method on overlapping sub-domains. Several Eigenmodes solutions of a local problem solved by MINOS 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 a modified iterative Schwarz algorithm based on non-overlapping domain decomposition with Robin interface conditions. At each iteration, the problem is solved on each sub domain by MINOS with the interface conditions deduced from the solutions on the adjacent sub-domains at the previous iteration. The iterations allow the simultaneous convergence of the domain decomposition and the eigenvalue problem. We demonstrate the accuracy and the efficiency in parallel of these two methods with numerical results for the diffusion model on realistic 2- and 3-dimensional cores. (author)

  10. Comparison of two interpolation methods for empirical mode decomposition based evaluation of radiographic femur bone images.

    Science.gov (United States)

    Udhayakumar, Ganesan; Sujatha, Chinnaswamy Manoharan; Ramakrishnan, Swaminathan

    2013-01-01

    Analysis of bone strength in radiographic images is an important component of estimation of bone quality in diseases such as osteoporosis. Conventional radiographic femur bone images are used to analyze its architecture using bi-dimensional empirical mode decomposition method. Surface interpolation of local maxima and minima points of an image is a crucial part of bi-dimensional empirical mode decomposition method and the choice of appropriate interpolation depends on specific structure of the problem. In this work, two interpolation methods of bi-dimensional empirical mode decomposition are analyzed to characterize the trabecular femur bone architecture of radiographic images. The trabecular bone regions of normal and osteoporotic femur bone images (N = 40) recorded under standard condition are used for this study. The compressive and tensile strength regions of the images are delineated using pre-processing procedures. The delineated images are decomposed into their corresponding intrinsic mode functions using interpolation methods such as Radial basis function multiquadratic and hierarchical b-spline techniques. Results show that bi-dimensional empirical mode decomposition analyses using both interpolations are able to represent architectural variations of femur bone radiographic images. As the strength of the bone depends on architectural variation in addition to bone mass, this study seems to be clinically useful.

  11. Empirical projection-based basis-component decomposition method

    Science.gov (United States)

    Brendel, Bernhard; Roessl, Ewald; Schlomka, Jens-Peter; Proksa, Roland

    2009-02-01

    Advances in the development of semiconductor based, photon-counting x-ray detectors stimulate research in the domain of energy-resolving pre-clinical and clinical computed tomography (CT). For counting detectors acquiring x-ray attenuation in at least three different energy windows, an extended basis component decomposition can be performed in which in addition to the conventional approach of Alvarez and Macovski a third basis component is introduced, e.g., a gadolinium based CT contrast material. After the decomposition of the measured projection data into the basis component projections, conventional filtered-backprojection reconstruction is performed to obtain the basis-component images. In recent work, this basis component decomposition was obtained by maximizing the likelihood-function of the measurements. This procedure is time consuming and often unstable for excessively noisy data or low intrinsic energy resolution of the detector. Therefore, alternative procedures are of interest. Here, we introduce a generalization of the idea of empirical dual-energy processing published by Stenner et al. to multi-energy, photon-counting CT raw data. Instead of working in the image-domain, we use prior spectral knowledge about the acquisition system (tube spectra, bin sensitivities) to parameterize the line-integrals of the basis component decomposition directly in the projection domain. We compare this empirical approach with the maximum-likelihood (ML) approach considering image noise and image bias (artifacts) and see that only moderate noise increase is to be expected for small bias in the empirical approach. Given the drastic reduction of pre-processing time, the empirical approach is considered a viable alternative to the ML approach.

  12. Real-time tumor ablation simulation based on the dynamic mode decomposition method

    KAUST Repository

    Bourantas, George C.; Ghommem, Mehdi; Kagadis, George C.; Katsanos, Konstantinos H.; Loukopoulos, Vassilios C.; Burganos, Vasilis N.; Nikiforidis, George C.

    2014-01-01

    Purpose: The dynamic mode decomposition (DMD) method is used to provide a reliable forecasting of tumor ablation treatment simulation in real time, which is quite needed in medical practice. To achieve this, an extended Pennes bioheat model must

  13. Properties and thermal decomposition of the double salts of uranyl nitrate-ammonium nitrate

    International Nuclear Information System (INIS)

    Notz, K.J.; Haas, R.A.

    1989-01-01

    The formation of ammonium nitrate-uranyl nitrate double salts has important effects on the thermal denitration process for the preparation of UO 3 and on the physical properties of the resulting product. Analyses were performed, and properties and decomposition behavior were determined for three double salts: NH 4 UO 2 (NO 3 ) 3 , (NH 4 ) 2 UO 2 (NO 3 ) 4 , and (NH 4 ) 2 UO 2 (NO 3 ) 4 ·2H 2 O. The tinitrate salt decomposes without melting at 270-300 C to give a γ-UO 3 powder of ∼3-μm average size, with good ceramic properties for fabrication into UO 2 nuclear fuel pellets. The tetranitrate dihydrate melts at 48 C; it also dehydrates to the anhydrous salt. The anhydrous tetranitrate decomposes exothermically, without melting, at 170-270 C by losing one mole of ammonium nitrate to form the trinitrate salt

  14. Thermal decomposition study of manganese sulfide (MnS) nanoparticles

    Science.gov (United States)

    Tailor, Jiten P.; Khimani, Ankurkumar J.; Chaki, Sunil H.; Deshpande, M. P.

    2018-05-01

    The as-synthesized manganese sulfide (MnS) nanoparticles were used for the thermal study. The nanoparticles were synthesized by simple wet chemical route at ambient temperature. The photoelectron binding energy and chemical composition of MnS nanoparticles was analyzed by X-ray photoelectron spectroscopy (XPS). The thermogravimetric (TG), differential thermogravimetric (DTG) and differential thermal analysis (DTA) were carried out on the as-synthesized MnS nanoparticles. The thermocurves were recorded in inert N2 atmosphere in the temperature range of ambient to 1173 K. The heating rates employed were 5, 10, 15 and 20 K/min. The thermodynamic parameters like activation energy (Ea), enthalpy change (ΔH), entropy change (ΔS) and change in Gibbs free energy (ΔG) of as-synthesized MnS nanoparticles were determined using Kissinger method. The obtained XPS and thermal results are discussed.

  15. Model-free method for isothermal and non-isothermal decomposition kinetics analysis of PET sample

    International Nuclear Information System (INIS)

    Saha, B.; Maiti, A.K.; Ghoshal, A.K.

    2006-01-01

    Pyrolysis, one possible alternative to recover valuable products from waste plastics, has recently been the subject of renewed interest. In the present study, the isoconversion methods, i.e., Vyazovkin model-free approach is applied to study non-isothermal decomposition kinetics of waste PET samples using various temperature integral approximations such as Coats and Redfern, Gorbachev, and Agrawal and Sivasubramanian approximation and direct integration (recursive adaptive Simpson quadrature scheme) to analyze the decomposition kinetics. The results show that activation energy (E α ) is a weak but increasing function of conversion (α) in case of non-isothermal decomposition and strong and decreasing function of conversion in case of isothermal decomposition. This indicates possible existence of nucleation, nuclei growth and gas diffusion mechanism during non-isothermal pyrolysis and nucleation and gas diffusion mechanism during isothermal pyrolysis. Optimum E α dependencies on α obtained for non-isothermal data showed similar nature for all the types of temperature integral approximations

  16. Thermal decomposition behavior of the co-precipitated carbonate precursor for La0.84Sr0.16MnO3

    International Nuclear Information System (INIS)

    Sankaranarayanan, A.; Kalekar, B.B.; Ramanathan, S.

    2004-01-01

    A carbonate precursor for lanthanum strontium manganite powder (La 0.84 Sr 0.16 MnO 3 - LSM) was obtained by addition of an aqueous solution of nitrates of lanthanum, strontium and manganese into a bath of ammonium carbonate solution. The precipitate was filtered, washed, dried and dry ground for homogenization. The thermal decomposition behavior of the precursor was studied by simultaneous TG-DTA-EGA technique while the precursor and intermediates formed at different temperatures were characterized by FTIR and XRD techniques for decomposition of carbonate and compound formation. It exhibited a loss in weight and endotherms in stages in the temperature ranges of 20 to 260 deg C, 260 deg to 500 deg C, 500 deg to 600 deg C, 600 deg to 900 deg C. The loss of carbon dioxide was exhibited in the EGA data and FTIR spectra while phase formation was confirmed by XRD. A comparative study of all these results showed that the processes occurring at various temperature ranges (20 deg to 260 deg C, 260 deg to 500 deg C, 500 deg to 600 deg C, 600 deg to 900 deg C) are dehydration of adsorbed moisture and water of crystallization, decomposition of manganese hydroxycarbonate to manganese dioxide, lanthanum carbonate to lanthanum oxy-carbonate and interaction between lanthanum oxy-carbonate, manganese dioxide and strontium carbonate to form finally LSM. Even though decomposition of carbonates into oxides was complete at 900 deg C, phase pure compound formation occurred at 1100 deg C, under the conditions used. (author)

  17. Formation of TiO/Al2O3/C Composite in Thermal Co-decomposition of Aluminium(III) Acetylacetonate and Titanium(IV) Oxyacetylacetonate.

    Czech Academy of Sciences Publication Activity Database

    Kovářík, T.; Pokorná, Dana; Urbanová, Markéta; Bezdička, Petr; Bastl, Zdeněk; Kupčík, Jaroslav; Křenek, T.; Pola, M.; Kullová, L.; Pola, Josef

    2016-01-01

    Roč. 117, JAN 2016 (2016), s. 182-190 ISSN 0165-2370 R&D Projects: GA TA ČR TA04020860 Institutional support: RVO:67985858 ; RVO:61388980 ; RVO:61388955 Keywords : thermal co-decomposition * aluminium(III) acetylacetonate * titanium(IV) oxyacetylacetonate * titanium monoxide * alumina * Carbona Subject RIV: CF - Physical ; Theoretical Chemistry; CA - Inorganic Chemistry (UACH-T) Impact factor: 3.471, year: 2016

  18. A MODIFIED DECOMPOSITION METHOD FOR SOLVING NONLINEAR PROBLEM OF FLOW IN CONVERGING- DIVERGING CHANNEL

    Directory of Open Access Journals (Sweden)

    MOHAMED KEZZAR

    2015-08-01

    Full Text Available In this research, an efficient technique of computation considered as a modified decomposition method was proposed and then successfully applied for solving the nonlinear problem of the two dimensional flow of an incompressible viscous fluid between nonparallel plane walls. In fact this method gives the nonlinear term Nu and the solution of the studied problem as a power series. The proposed iterative procedure gives on the one hand a computationally efficient formulation with an acceleration of convergence rate and on the other hand finds the solution without any discretization, linearization or restrictive assumptions. The comparison of our results with those of numerical treatment and other earlier works shows clearly the higher accuracy and efficiency of the used Modified Decomposition Method.

  19. Domain decomposition methods for the mixed dual formulation of the critical neutron diffusion problem

    International Nuclear Information System (INIS)

    Guerin, P.

    2007-12-01

    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, diffusion approximation is often used. For this problem, the MINOS solver based on a mixed dual finite element method has shown his efficiency. In order to take advantage of parallel computers, and to reduce the computing time and the local memory requirement, we propose in this dissertation two domain decomposition methods for the resolution of the mixed dual form of the eigenvalue neutron diffusion problem. The first approach is a component mode synthesis method on overlapping sub-domains. Several Eigenmodes solutions of a local problem solved by MINOS 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 a modified iterative Schwarz algorithm based on non-overlapping domain decomposition with Robin interface conditions. At each iteration, the problem is solved on each sub domain by MINOS with the interface conditions deduced from the solutions on the adjacent sub-domains at the previous iteration. The iterations allow the simultaneous convergence of the domain decomposition and the eigenvalue problem. We demonstrate the accuracy and the efficiency in parallel of these two methods with numerical results for the diffusion model on realistic 2- and 3-dimensional cores. (author)

  20. Radiation-thermal purification of waste water from oil pollution

    International Nuclear Information System (INIS)

    Mustafaev, I.; Guliyeva, N.; Rzayev, R.; Yagubov, K.

    2004-01-01

    Full text: During the extraction, preparation, transportation and refining of oil the sewages containing oil contaminations are produced. The concentration of oil content in the water depends on used technology and may vary from a thousandths parts up to tens percents. There is a necessity of cleaning this pollution up to a permissible level. There are numerous methods (adsorption, mechanical, chemical and etc) of treating of waster water from oil contaminations. Radiation-chemical method is one of the effective among the above mentioned methods. The results of radiation-thermal decomposition of n-heptane micro-admixtures in water medium are adduced. The main parameters of radiolysis change within the intervals: temperature 20-400 o C, absorbed dose - 0†10.8 kGy at dose rate 3.6 kGy/h. The correlation of n-heptane concentration and water steam changed within [C 5 H 1 2]/[H 2 O] (1-100) 10-5. Total concentration of steam was about 10 20 molec/ml. As a product of decomposition are observed H 2 , CO, CH 4 , C 2 H 4 , C 2 H 6 , C 3 H 8 , C 3 H 6 , C 4 H 8 , hydrocarbons C 5 , and C 6 . The changes of n-heptane concentration in the reactor also were established. The chain regime of n-heptane decomposition at high temperatures in the irradiated mixture is observed. The critical value of temperature and mixture ratio of components, under which the break of chain process of normal n-heptane occurs are defined. The mechanisms of proceeding radiation thermal processes in hydrocarbons-water system are discussed. At the temperatures higher than 300 o C the radiation-thermal decompositions of hydrocarbon micro-impurities in water into gas products occurs according a chain mechanism and the radiation-chemical yield of the decomposition exceeds 100 molec/100eV. This method can be used for purification of sewages from oil contaminations

  1. A Decomposition Method for Security Constrained Economic Dispatch of a Three-Layer Power System

    Science.gov (United States)

    Yang, Junfeng; Luo, Zhiqiang; Dong, Cheng; Lai, Xiaowen; Wang, Yang

    2018-01-01

    This paper proposes a new decomposition method for the security-constrained economic dispatch in a three-layer large-scale power system. The decomposition is realized using two main techniques. The first is to use Ward equivalencing-based network reduction to reduce the number of variables and constraints in the high-layer model without sacrificing accuracy. The second is to develop a price response function to exchange signal information between neighboring layers, which significantly improves the information exchange efficiency of each iteration and results in less iterations and less computational time. The case studies based on the duplicated RTS-79 system demonstrate the effectiveness and robustness of the proposed method.

  2. Probing the thermal stability and the decomposition mechanism of a magnesium-fullerene polymer via X-ray Raman spectroscopy, X-ray diffraction and molecular dynamics simulations.

    Science.gov (United States)

    Aramini, Matteo; Niskanen, Johannes; Cavallari, Chiara; Pontiroli, Daniele; Musazay, Abdurrahman; Krisch, Michael; Hakala, Mikko; Huotari, Simo

    2016-02-21

    We report the microscopic view of the thermal structural stability of the magnesium intercalated fullerene polymer Mg2C60. With the application of X-ray Raman spectroscopy and X-ray diffraction, we study in detail the decomposition pathways of the polymer system upon annealing at temperatures between 300 and 700 °C. We show that there are at least two energy scales involved in the decomposition reaction. Intermolecular carbon bonds, which are responsible for the formation of a 2D fullerene polymer, are broken with a relatively modest thermal energy, while the long-range order of the original polymer remains intact. With an increased thermal energy, the crystal structure in turn is found to undergo a transition to a novel intercalated cubic phase that is stable up to the highest temperature studied here. The local structure surrounding magnesium ions gets severely modified close to, possibly at, the phase transition. We used density functional theory based calculations to study the thermodynamic and kinetic aspects of the collapse of the fullerene network, and to explain the intermediate steps as well as the reaction pathways in the break-up of this peculiar C60 intermolecular bonding architecture.

  3. Investigation of the decomposition reaction and dust explosion characteristics of crystalline benzoyl peroxides

    International Nuclear Information System (INIS)

    Lu, K.-T.; Chen, T.-C.; Hu, K.-H.

    2009-01-01

    The benzoyl peroxide (BPO) is widely used in the chemical industry. Many catastrophes have been caused by its thermal instability or reactive incompatibility in storage or thermal decomposition reaction. Thus, its hazard characteristics have to be clearly identified. First of all, the differential scanning calorimeter (DSC) is used to measure the heat of decomposition reaction, which can contribute to understanding the reaction characteristics of benzoyl peroxide. The accelerating rate calorimeter (ARC) is used to measure the rates of temperature and pressure rises of decomposition reaction, and then the kinetics parameters are estimated. Furthermore, the MIKE 3 apparatus and the 20-l-Apparatus are used to measure and analyze the dust explosion characteristics of benzoyl peroxide under room temperature and atmospheric pressure. Finally, Semenov's thermal explosion theory is applied to investigate the critical runaway condition and the stability criterion of decomposition reaction, and to build the relationship of critical temperature, convective heat transfer coefficient, heat transfer surface area and ambient temperature. These results contribute to improving the safety in the reaction, transportation and storage processes of benzoyl peroxide

  4. Mode decomposition methods for flows in high-contrast porous media. Global-local approach

    KAUST Repository

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

    2013-01-01

    In this paper, we combine concepts of the generalized multiscale finite element method (GMsFEM) and mode decomposition methods to construct a robust global-local approach for model reduction of flows in high-contrast porous media. This is achieved by implementing Proper Orthogonal Decomposition (POD) and Dynamic Mode Decomposition (DMD) techniques on a coarse grid computed using GMsFEM. The resulting reduced-order approach enables a significant reduction in the flow problem size while accurately capturing the behavior of fully-resolved solutions. We consider a variety of high-contrast coefficients and present the corresponding numerical results to illustrate the effectiveness of the proposed technique. This paper is a continuation of our work presented in Ghommem et al. (2013) [1] where we examine the applicability of POD and DMD to derive simplified and reliable representations of flows in high-contrast porous media on fully resolved models. In the current paper, we discuss how these global model reduction approaches can be combined with local techniques to speed-up the simulations. The speed-up is due to inexpensive, while sufficiently accurate, computations of global snapshots. © 2013 Elsevier Inc.

  5. Mode decomposition methods for flows in high-contrast porous media. Global-local approach

    KAUST Repository

    Ghommem, Mehdi

    2013-11-01

    In this paper, we combine concepts of the generalized multiscale finite element method (GMsFEM) and mode decomposition methods to construct a robust global-local approach for model reduction of flows in high-contrast porous media. This is achieved by implementing Proper Orthogonal Decomposition (POD) and Dynamic Mode Decomposition (DMD) techniques on a coarse grid computed using GMsFEM. The resulting reduced-order approach enables a significant reduction in the flow problem size while accurately capturing the behavior of fully-resolved solutions. We consider a variety of high-contrast coefficients and present the corresponding numerical results to illustrate the effectiveness of the proposed technique. This paper is a continuation of our work presented in Ghommem et al. (2013) [1] where we examine the applicability of POD and DMD to derive simplified and reliable representations of flows in high-contrast porous media on fully resolved models. In the current paper, we discuss how these global model reduction approaches can be combined with local techniques to speed-up the simulations. The speed-up is due to inexpensive, while sufficiently accurate, computations of global snapshots. © 2013 Elsevier Inc.

  6. A Flexible Method for Multi-Material Decomposition of Dual-Energy CT Images.

    Science.gov (United States)

    Mendonca, Paulo R S; Lamb, Peter; Sahani, Dushyant V

    2014-01-01

    The ability of dual-energy computed-tomographic (CT) systems to determine the concentration of constituent materials in a mixture, known as material decomposition, is the basis for many of dual-energy CT's clinical applications. However, the complex composition of tissues and organs in the human body poses a challenge for many material decomposition methods, which assume the presence of only two, or at most three, materials in the mixture. We developed a flexible, model-based method that extends dual-energy CT's core material decomposition capability to handle more complex situations, in which it is necessary to disambiguate among and quantify the concentration of a larger number of materials. The proposed method, named multi-material decomposition (MMD), was used to develop two image analysis algorithms. The first was virtual unenhancement (VUE), which digitally removes the effect of contrast agents from contrast-enhanced dual-energy CT exams. VUE has the ability to reduce patient dose and improve clinical workflow, and can be used in a number of clinical applications such as CT urography and CT angiography. The second algorithm developed was liver-fat quantification (LFQ), which accurately quantifies the fat concentration in the liver from dual-energy CT exams. LFQ can form the basis of a clinical application targeting the diagnosis and treatment of fatty liver disease. Using image data collected from a cohort consisting of 50 patients and from phantoms, the application of MMD to VUE and LFQ yielded quantitatively accurate results when compared against gold standards. Furthermore, consistent results were obtained across all phases of imaging (contrast-free and contrast-enhanced). This is of particular importance since most clinical protocols for abdominal imaging with CT call for multi-phase imaging. We conclude that MMD can successfully form the basis of a number of dual-energy CT image analysis algorithms, and has the potential to improve the clinical utility

  7. The effect of preparation parameters i thermal decomposition of ruthenium dioxide electrodes on chlorine elctro-catalytic activity

    Energy Technology Data Exchange (ETDEWEB)

    Luu, Tran Le; Kim, Choon Soo; Kim, Ji Ye; Kim, Seong Hwan; Yoon, Je Yong [Dept. of Chemical and Biological Engineering, Institute of Chemical Process, Seoul National University,Seoul (Korea, Republic of)

    2015-05-15

    When fabricating a RuO{sub 2} electrode, the high electro-catalytic activity in chlorine evolution is considered as one of the most important factors. Thermal decomposition method carried out under various fabrication conditions including the types of solvents, precursors, and calcination times have led to the enhancement electro-catalytic activity of RuO{sub 2} electrode in chlorine evolution. Nevertheless, it has not been fully investigated how these parameters directly affect to the chlorine evolution efficiency in the RuO{sub 2} electrode. Therefore, the aim of this study was to investigate the effect on the chlorine evolution in RuO{sub 2} electrodes, depending upon the preparation parameters including solvents, precursors, and calcination times. As major results, the chlorine evolution efficiency was dominantly affected by these three major preparation parameters. The RuO{sub 2} electrode fabricated with ethanol as the solvent showed highest chlorine evolution efficiency. The choice of Ru(AcAc){sub 3} as precursor and the increase of the calcination time up to 3 h are also the good choices for increasing chlorine electrocatalytic activities. The chlorine evolution efficiency was not significantly related to the total voltammetric charge but to the outer voltammetric charge, which is affected by the morphology of the RuO{sub 2} electrode surface. The size and number of cracks on the electrode surfaces or the outer voltammetric charges increased with easily evaporated solvents, decomposed precursors, and tensile stress from longer thermal treatments.

  8. The effect of preparation parameters i thermal decomposition of ruthenium dioxide electrodes on chlorine elctro-catalytic activity

    International Nuclear Information System (INIS)

    Luu, Tran Le; Kim, Choon Soo; Kim, Ji Ye; Kim, Seong Hwan; Yoon, Je Yong

    2015-01-01

    When fabricating a RuO_2 electrode, the high electro-catalytic activity in chlorine evolution is considered as one of the most important factors. Thermal decomposition method carried out under various fabrication conditions including the types of solvents, precursors, and calcination times have led to the enhancement electro-catalytic activity of RuO_2 electrode in chlorine evolution. Nevertheless, it has not been fully investigated how these parameters directly affect to the chlorine evolution efficiency in the RuO_2 electrode. Therefore, the aim of this study was to investigate the effect on the chlorine evolution in RuO_2 electrodes, depending upon the preparation parameters including solvents, precursors, and calcination times. As major results, the chlorine evolution efficiency was dominantly affected by these three major preparation parameters. The RuO_2 electrode fabricated with ethanol as the solvent showed highest chlorine evolution efficiency. The choice of Ru(AcAc)_3 as precursor and the increase of the calcination time up to 3 h are also the good choices for increasing chlorine electrocatalytic activities. The chlorine evolution efficiency was not significantly related to the total voltammetric charge but to the outer voltammetric charge, which is affected by the morphology of the RuO_2 electrode surface. The size and number of cracks on the electrode surfaces or the outer voltammetric charges increased with easily evaporated solvents, decomposed precursors, and tensile stress from longer thermal treatments

  9. DECOMPOSITION STUDY OF CALCIUM CARBONATE IN COCKLE SHELL

    Directory of Open Access Journals (Sweden)

    MUSTAKIMAH MOHAMED

    2012-02-01

    Full Text Available Calcium oxide (CaO is recognized as an efficient carbon dioxide (CO2 adsorbent and separation of CO2 from gas stream using CaO based adsorbent is widely applied in gas purification process especially at high temperature reaction. CaO is normally been produced via thermal decomposition of calcium carbonate (CaCO3 sources such as limestone which is obtained through mining and quarrying limestone hill. Yet, this study able to exploit the vast availability of waste resources in Malaysia which is cockle shell, as the potential biomass resources for CaCO3 and CaO. In addition, effect of particle size towards decomposition process is put under study using four particle sizes which are 0.125-0.25 mm, 0.25-0.5 mm, 1-2 mm, and 2-4 mm. Decomposition reactivity is conducted using Thermal Gravimetric Analyzer (TGA at heating rate of 20°C/minutes in inert (Nitrogen atmosphere. Chemical property analysis using x-ray fluorescence (XRF, shows cockle shell is made up of 97% Calcium (Ca element and CaO is produced after decomposition is conducted, as been analyzed by x-ray diffusivity (XRD analyzer. Besides, smallest particle size exhibits the highest decomposition rate and the process was observed to follow first order kinetics. Activation energy, E, of the process was found to vary from 179.38 to 232.67 kJ/mol. From Arrhenius plot, E increased when the particle size is larger. To conclude, cockle shell is a promising source for CaO and based on four different particles sizes used, sample at 0.125-0.25 mm offers the highest decomposition rate.

  10. Decomposition of tetra-alkylammonium thiomolybdates characterised by thermoanalysis and mass spectrometry

    International Nuclear Information System (INIS)

    Poisot, M.; Bensch, W.; Fuentes, S.; Alonso, G.

    2006-01-01

    The decomposition pattern of tetraalkyl-tetrathiomolybdates with general formula (R 4 N) 2 MoS 4 (with R increasing from methyl to heptyl) was determined by means of differential thermal analysis (DTA), thermogravimetric analysis (TGA) and mass spectroscopy (MS) techniques. The complexity of thermal decomposition reactions increases with the size of the R 4 N group. Prior to decomposition at least one phase transition seems to occur in all complexes. The onset of thermal reactions was also a function of the tetra-alkylammonium precursor. All compounds decompose without forming sulfur rich MoS 2+x intermediates. For R = methyl to pentyl precursors the MoS 2 produced was nearly stoichiometric, however for R = hexyl and heptyl the S content was significantly reduced with a Mo:S ratio of about 1.5. The carbon and hydrogen residual contents in the product increased with the number of C atoms in R 4 N; for N contamination no clear trend was obvious. SEM images show that the formation of macro-pores was also a function of the alkyl group in R 4 N. The MoS 2 materials obtained show a sponge-like morphology. Results of DSC experiments in combination with in situ X-ray diffraction also revealed the complex thermal behavior of (R 4 N) 2 MoS 4 materials; reversible and irreversible phase transitions and glass-like transformations were identified in the low temperature range (35-140 deg. C), before the onset of decomposition

  11. Mixed first- and second-order transport method using domain decomposition techniques for reactor core calculations

    International Nuclear Information System (INIS)

    Girardi, E.; Ruggieri, J.M.

    2003-01-01

    The aim of this paper is to present the last developments made on a domain decomposition method applied to reactor core calculations. In this method, two kind of balance equation with two different numerical methods dealing with two different unknowns are coupled. In the first part the two balance transport equations (first order and second order one) are presented with the corresponding following numerical methods: Variational Nodal Method and Discrete Ordinate Nodal Method. In the second part, the Multi-Method/Multi-Domain algorithm is introduced by applying the Schwarz domain decomposition to the multigroup eigenvalue problem of the transport equation. The resulting algorithm is then provided. The projection operators used to coupled the two methods are detailed in the last part of the paper. Finally some preliminary numerical applications on benchmarks are given showing encouraging results. (authors)

  12. Economic Inequality in Presenting Vision in Shahroud, Iran: Two Decomposition Methods

    Directory of Open Access Journals (Sweden)

    Asieh Mansouri

    2018-01-01

    Full Text Available Background Visual acuity, like many other health-related problems, does not have an equal distribution in terms of socio-economic factors. We conducted this study to estimate and decompose economic inequality in presenting visual acuity using two methods and to compare their results in a population aged 40-64 years in Shahroud, Iran. Methods: The data of 5188 participants in the first phase of the Shahroud Cohort Eye Study, performed in 2009, were used for this study. Our outcome variable was presenting vision acuity (PVA that was measured using LogMAR (logarithm of the minimum angle of resolution. The living standard variable used for estimation of inequality was the economic status and was constructed by principal component analysis on home assets. Inequality indices were concentration index and the gap between low and high economic groups. We decomposed these indices by the concentration index and BlinderOaxaca decomposition approaches respectively and compared the results. Results The concentration index of PVA was -0.245 (95% CI: -0.278, -0.212. The PVA gap between groups with a high and low economic status was 0.0705 and was in favor of the high economic group. Education, economic status, and age were the most important contributors of inequality in both concentration index and Blinder-Oaxaca decomposition. Percent contribution of these three factors in the concentration index and Blinder-Oaxaca decomposition was 41.1% vs. 43.4%, 25.4% vs. 19.1% and 15.2% vs. 16.2%, respectively. Other factors including gender, marital status, employment status and diabetes had minor contributions. Conclusion This study showed that individuals with poorer visual acuity were more concentrated among people with a lower economic status. The main contributors of this inequality were similar in concentration index and Blinder-Oaxaca decomposition. So, it can be concluded that setting appropriate interventions to promote the literacy and income level in people

  13. Sensitivity Analysis of the Proximal-Based Parallel Decomposition Methods

    Directory of Open Access Journals (Sweden)

    Feng Ma

    2014-01-01

    Full Text Available The proximal-based parallel decomposition methods were recently proposed to solve structured convex optimization problems. These algorithms are eligible for parallel computation and can be used efficiently for solving large-scale separable problems. In this paper, compared with the previous theoretical results, we show that the range of the involved parameters can be enlarged while the convergence can be still established. Preliminary numerical tests on stable principal component pursuit problem testify to the advantages of the enlargement.

  14. Crystal structures and thermal decomposition of permanganates AE[MnO_4]_2 . n H_2O with the heavy alkaline earth elements (AE=Ca, Sr and Ba)

    International Nuclear Information System (INIS)

    Henning, Harald; Bauchert, Joerg M.; Conrad, Maurice; Schleid, Thomas

    2017-01-01

    Reexamination of the syntheses and crystal structures as well as studies of the thermal decomposition of the heavy alkaline earth metal permanganates Ca[MnO_4]_2 . 4 H_2O, Sr[MnO_4]_2 . 3 H_2O and Ba[MnO_4]_2 are the focus of this work. As an alternative to the very inelegant Muthmann method, established for the synthesis of Ba[MnO_4]_2 a long time ago, we employed a cation-exchange column loaded with Ba"2"+ cations and passed through an aqueous potassium-permanganate solution. We later used this alternative also with strontium- and calcium-loaded columns and all the compounds synthesized this way were indistinguishable from the products of the established methods. Ca[MnO_4]_2 . 4 H_2O exhibiting [CaO_8] polyhedra crystallizes in the orthorhombic space group Pccn with the lattice parameters a=1397.15(9), b=554.06(4) and c=1338.97(9) pm with Z=4, whereas Sr[MnO_4]_2 . 3 H_2O with [SrO_1_0] polyhedra adopts the cubic space group P2_13 with a=964.19(7) pm and Z=4. So the harder the AE"2"+ cation, the higher its demand for hydration in aqueous solution. Consequently, the crystal structure of Ba[MnO_4]_2 in the orthorhombic space group Fddd with a=742.36(5), b=1191.23(7) and c=1477.14(9) pm with Z=8 lacks any crystal water, but contains [BaO_1_2] polyhedra. During the thermal decomposition of Ca[MnO_4]_2 . 4 H_2O, the compound expels up to two water molecules of hydration, before the crystal structure collapses after the loss of the third H_2O molecule at 157 C. The crystal structure of Sr[MnO_4]_2 . 3 H_2O breaks down after the expulsion of the third water molecule as well, but this already occurs at 148 C. For both the calcium and the strontium permanganate samples, orthobixbyite-type α-Mn_2O_3 and the oxomanganates(III,IV) AEMn_3O_6 (AE=Ca and Sr) remain as final decomposition products at 800 C next to amorphous phases. On the other hand, the already anhydrous Ba[MnO_4]_2 thermally decomposes to hollandite-type BaMn_8O_1_6 and BaMnO_3 at 800 C.

  15. Thermal decomposition of dilute aqueous formic acid solutions

    DEFF Research Database (Denmark)

    Bjerre, A.B.; Sørensen, E.

    1992-01-01

    or a decarboxylation. In particular the second one is dependent on the reactor vessel used. It is shown to be catalyzed by a mixture of oxides of stainless steel components. The presence of CH3COOH or CH3CHO promotes the decomposition of HCOOH by way of both decarboxylation and oxidation. In any case formic acid...

  16. Surfactant controlled low-temperature thermal decomposition route to zinc oxide nanorods from zinc(II) acetylacetonate monohydrate

    Energy Technology Data Exchange (ETDEWEB)

    Purkayastha, Debraj Dhar; Sarma, Bedabrat; Bhattacharjee, Chira R., E-mail: crbhattacharjee@rediffmail.com

    2014-10-15

    Zinc oxide (ZnO) nanorods were synthesized via a low-temperature thermal decomposition of zinc(II) acetylacetonate monohydrate, [Zn(C{sub 5}H{sub 7}O{sub 2}){sub 2}].H{sub 2}O. A relatively inexpensive surfactant, octadecylamine (C{sub 18}H{sub 37}NH{sub 2}) served both as a reaction solvent and a capping agent during the synthesis of ZnO nanorods. The synthesized nanorods were characterized by powder X-ray diffraction (XRD), transmission electron microscopy (TEM), FT-IR, UV–visible, and photoluminescence (PL) studies. The XRD spectrum furnished evidence for the hexagonal wurtzite structure of ZnO. TEM images revealed the material to be rod shaped having diameter 30 nm and length 200 nm. The HRTEM image showed that the lattice fringes between the two adjacent planes are 0.244 nm apart, which corresponds to the interplanar separation of the (1 0 1) plane of hexagonal ZnO. The electron diffraction (ED) pattern confirmed the single crystalline nature of the nanorods. The PL spectrum showed two UV emissions at 356 nm (∼3.48 eV) and 382 nm (∼3.25 eV). ZnO nanorods also showed very weak blue bands at 445, 453 and 470 nm. - Highlights: Low temperature thermal decomposition of zinc(II) acetylacetonate monohydrate gave zinc oxide nanorods. Powder XRD showed hexagonal wurtzite structure of ZnO having average diameter about 24 nm. TEM images revealed the material to be of rod shape having diameter 30 nm and length 200 nm. ZnO showed band gap luminescence at 356 nm, excitonic emission at 382 nm and defect related blue bands. The synthesis is simple and can act as a paradigm for obtaining various metal oxide nanomaterials.

  17. Domain decomposition methods and parallel computing

    International Nuclear Information System (INIS)

    Meurant, G.

    1991-01-01

    In this paper, we show how to efficiently solve large linear systems on parallel computers. These linear systems arise from discretization of scientific computing problems described by systems of partial differential equations. We show how to get a discrete finite dimensional system from the continuous problem and the chosen conjugate gradient iterative algorithm is briefly described. Then, the different kinds of parallel architectures are reviewed and their advantages and deficiencies are emphasized. We sketch the problems found in programming the conjugate gradient method on parallel computers. For this algorithm to be efficient on parallel machines, domain decomposition techniques are introduced. We give results of numerical experiments showing that these techniques allow a good rate of convergence for the conjugate gradient algorithm as well as computational speeds in excess of a billion of floating point operations per second. (author). 5 refs., 11 figs., 2 tabs., 1 inset

  18. Real-time tumor ablation simulation based on the dynamic mode decomposition method

    KAUST Repository

    Bourantas, George C.

    2014-05-01

    Purpose: The dynamic mode decomposition (DMD) method is used to provide a reliable forecasting of tumor ablation treatment simulation in real time, which is quite needed in medical practice. To achieve this, an extended Pennes bioheat model must be employed, taking into account both the water evaporation phenomenon and the tissue damage during tumor ablation. Methods: A meshless point collocation solver is used for the numerical solution of the governing equations. The results obtained are used by the DMD method for forecasting the numerical solution faster than the meshless solver. The procedure is first validated against analytical and numerical predictions for simple problems. The DMD method is then applied to three-dimensional simulations that involve modeling of tumor ablation and account for metabolic heat generation, blood perfusion, and heat ablation using realistic values for the various parameters. Results: The present method offers very fast numerical solution to bioheat transfer, which is of clinical significance in medical practice. It also sidesteps the mathematical treatment of boundaries between tumor and healthy tissue, which is usually a tedious procedure with some inevitable degree of approximation. The DMD method provides excellent predictions of the temperature profile in tumors and in the healthy parts of the tissue, for linear and nonlinear thermal properties of the tissue. Conclusions: The low computational cost renders the use of DMD suitable forin situ real time tumor ablation simulations without sacrificing accuracy. In such a way, the tumor ablation treatment planning is feasible using just a personal computer thanks to the simplicity of the numerical procedure used. The geometrical data can be provided directly by medical image modalities used in everyday practice. © 2014 American Association of Physicists in Medicine.

  19. Thermal decomposition of selected chlorinated hydrocarbons during gas combustion in fluidized bed

    Directory of Open Access Journals (Sweden)

    Olek Malgorzata

    2013-01-01

    Full Text Available Abstract Background The process of thermal decomposition of dichloromethane (DCM and chlorobenzene (MCB during the combustion in an inert, bubbling fluidized bed, supported by LPG as auxiliary fuel, have been studied. The concentration profiles of C6H5CI, CH2Cl2, CO2, CO, NOx, COCl2, CHCl3, CH3Cl, C2H2, C6H6, CH4 in the flue gases were specified versus mean bed temperature. Results The role of preheating of gaseous mixture in fluidized bed prior to its ignition inside bubbles was identified as important factor for increase the degree of conversion of DCM and MCB in low bed temperature, in comparison to similar process in the tubular reactor. Conclusions Taking into account possible combustion mechanisms, it was identified that autoignition in bubbles rather than flame propagation between bubbles is needed to achieve complete destruction of DCM and MCB. These condition occurs above 900°C causing the degree of conversion of chlorine compounds of 92-100%.

  20. Comparative evaluation of thermal oxidative decomposition for oil-plant residues via thermogravimetric analysis: Thermal conversion characteristics, kinetics, and thermodynamics.

    Science.gov (United States)

    Chen, Jianbiao; Wang, Yanhong; Lang, Xuemei; Ren, Xiu'e; Fan, Shuanshi

    2017-11-01

    Thermal oxidative decomposition characteristics, kinetics, and thermodynamics of rape straw (RS), rapeseed meal (RM), camellia seed shell (CS), and camellia seed meal (CM) were evaluated via thermogravimetric analysis (TGA). TG-DTG-DSC curves demonstrated that the combustion of oil-plant residues proceeded in three stages, including dehydration, release and combustion of organic volatiles, and chars oxidation. As revealed by combustion characteristic parameters, the ignition, burnout, and comprehensive combustion performance of residues were quite distinct from each other, and were improved by increasing heating rate. The kinetic parameters were determined by Coats-Redfern approach. The results showed that the most possible combustion mechanisms were order reaction models. The existence of kinetic compensation effect was clearly observed. The thermodynamic parameters (ΔH, ΔG, ΔS) at peak temperatures were calculated through the activated complex theory. With the combustion proceeding, the variation trends of ΔH, ΔG, and ΔS for RS (RM) similar to those for CS (CM). Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. Thermal stability and mechanism of decomposition of emulsion explosives in the presence of pyrite

    International Nuclear Information System (INIS)

    Xu, Zhi-Xiang; Wang, Qian; Fu, Xiao-Qi

    2015-01-01

    Highlights: • An exothermic reaction occurs at about 200 °C between pyrite and ammonium nitrate (emulsion explosives). • The essence of reaction between emulsion explosives and pyrite is reaction between ammonium nitrate and pyrite. • The excellent thermal stability of emulsion explosives does not mean it was also showed when pyrite was added. • A new overall reaction has been proposed as: • 14FeS_2(s) + 91NH_4NO_3(s) → 52NO(g) + 26SO_2(g) + 6Fe_2O_3(s) + 78NH_3(g) + 26N_2O(g) + 2FeSO_4(s) + 65H_2O(g). - Abstract: The reaction of emulsion explosives (ammonium nitrate) with pyrite was studied using techniques of TG-DTG-DTA. TG–DSC–MS was also used to analyze samples thermal decomposition process. When a mixture of pyrite and emulsion explosives was heated at a constant heating rate of 10 K/min from room temperature to 350 °C, exothermic reactions occurred at about 200 °C. The essence of reaction between emulsion explosives and pyrite is the reaction between ammonium nitrate and pyrite. Emulsion explosives have excellent thermal stability but it does not mean it showed the same excellent thermal stability when pyrite was added. Package emulsion explosives were more suitable to use in pyrite shale than bulk emulsion explosives. The exothermic reaction was considered to take place between ammonium nitrate and pyrite where NO, NO_2, NH_3, SO_2 and N_2O gases were produced. Based on the analysis of the gaseous, a new overall reaction was proposed, which was thermodynamically favorable. The results have significant implication in the understanding of stability of emulsion explosives in reactive mining grounds containing pyrite minerals.

  2. Thermal stability and mechanism of decomposition of emulsion explosives in the presence of pyrite

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Zhi-Xiang; Wang, Qian [School of Energy and Power Engineering, Jiangsu University, Zhenjiang 212013 (China); Fu, Xiao-Qi, E-mail: xzx19820708@163.com [School of Chemistry and Chemical Engineering, Jiangsu University Zhenjiang 212013 (China)

    2015-12-30

    Highlights: • An exothermic reaction occurs at about 200 °C between pyrite and ammonium nitrate (emulsion explosives). • The essence of reaction between emulsion explosives and pyrite is reaction between ammonium nitrate and pyrite. • The excellent thermal stability of emulsion explosives does not mean it was also showed when pyrite was added. • A new overall reaction has been proposed as: • 14FeS{sub 2}(s) + 91NH{sub 4}NO{sub 3}(s) → 52NO(g) + 26SO{sub 2}(g) + 6Fe{sub 2}O{sub 3}(s) + 78NH{sub 3}(g) + 26N{sub 2}O(g) + 2FeSO{sub 4}(s) + 65H{sub 2}O(g). - Abstract: The reaction of emulsion explosives (ammonium nitrate) with pyrite was studied using techniques of TG-DTG-DTA. TG–DSC–MS was also used to analyze samples thermal decomposition process. When a mixture of pyrite and emulsion explosives was heated at a constant heating rate of 10 K/min from room temperature to 350 °C, exothermic reactions occurred at about 200 °C. The essence of reaction between emulsion explosives and pyrite is the reaction between ammonium nitrate and pyrite. Emulsion explosives have excellent thermal stability but it does not mean it showed the same excellent thermal stability when pyrite was added. Package emulsion explosives were more suitable to use in pyrite shale than bulk emulsion explosives. The exothermic reaction was considered to take place between ammonium nitrate and pyrite where NO, NO{sub 2}, NH{sub 3}, SO{sub 2} and N{sub 2}O gases were produced. Based on the analysis of the gaseous, a new overall reaction was proposed, which was thermodynamically favorable. The results have significant implication in the understanding of stability of emulsion explosives in reactive mining grounds containing pyrite minerals.

  3. Kinetic study of lithium-cadmium ternary amalgam decomposition

    International Nuclear Information System (INIS)

    Cordova, M.H.; Andrade, C.E.

    1992-01-01

    The effect of metals, which form stable lithium phase in binary alloys, on the formation of intermetallic species in ternary amalgams and their effect on thermal decomposition in contact with water is analyzed. Cd is selected as ternary metal, based on general experimental selection criteria. Cd (Hg) binary amalgams are prepared by direct contact Cd-Hg, whereas Li is formed by electrolysis of Li OH aq using a liquid Cd (Hg) cathodic well. The decomposition kinetic of Li C(Hg) in contact with 0.6 M Li OH is studied in function of ageing and temperature, and these results are compared with the binary amalgam Li (Hg) decomposition. The decomposition rate is constant during one hour for binary and ternary systems. Ageing does not affect the binary systems but increases the decomposition activation energy of ternary systems. A reaction mechanism that considers an intermetallic specie participating in the activated complex is proposed and a kinetic law is suggested. (author)

  4. Thermal decomposition of the Fe17 Sm2 N3 phase

    International Nuclear Information System (INIS)

    Cabral, F.A.O.; Gama, S.; Morais, E. de; Sanjurjo, N.L.; Ribeiro, C.A.

    1996-01-01

    We studied the high temperature decomposition mechanism for the Fe 17 Sm 2 N 3 phase using several different experimental techniques, as thermomagnetic and thermogravimetric analyses. Our results slow that the decomposition occurs in a two step scheme. In the first reaction we have the formation of Sm N and a solid solution of nitrogen in iron. In the second step, this solid solution degases, and we observe the evolution of nitrogen over a broad temperature range. (author)

  5. A novel thermal decomposition approach to synthesize hydroxyapatite-silver nanocomposites and their antibacterial action against GFP-expressing antibiotic resistant E. coli.

    Science.gov (United States)

    Sahni, Geetika; Gopinath, P; Jeevanandam, P

    2013-03-01

    A novel thermal decomposition approach to synthesize hydroxyapatite-silver (Hap-Ag) nanocomposites has been reported. The nanocomposites were characterized by X-ray diffraction, field emission scanning electron microscopy coupled with energy dispersive X-ray analysis, transmission electron microscopy and diffuse reflectance spectroscopy techniques. Antibacterial activity studies for the nanocomposites were explored using a new rapid access method employing recombinant green fluorescent protein (GFP) expressing antibiotic resistant Escherichia coli (E. coli). The antibacterial activity was studied by visual turbidity analysis, optical density analysis, fluorescence spectroscopy and microscopy. The mechanism of bactericidal action of the nanocomposites on E. coli was investigated using atomic force microscopy, and TEM analysis. Excellent bactericidal activity at low concentration of the nanocomposites was observed which may allow their use in the production of microbial contamination free prosthetics. Copyright © 2012 Elsevier B.V. All rights reserved.

  6. Decomposition Methods For a Piv Data Analysis with Application to a Boundary Layer Separation Dynamics

    OpenAIRE

    Václav URUBA

    2010-01-01

    Separation of the turbulent boundary layer (BL) on a flat plate under adverse pressure gradient was studied experimentally using Time-Resolved PIV technique. The results of spatio-temporal analysis of flow-field in the separation zone are presented. For this purpose, the POD (Proper Orthogonal Decomposition) and its extension BOD (Bi-Orthogonal Decomposition) techniques are applied as well as dynamical approach based on POPs (Principal Oscillation Patterns) method. The study contributes...

  7. Thermal investigation of alkali metal hexacyanoruthenate (2)

    International Nuclear Information System (INIS)

    Okorskaya, A.P.; Sergeeva, A.N.; Pavlenko, L.I.; Semenishin, D.I.

    1978-01-01

    Thermal stability of Li, Na, K, Rb and Cs hexacyanoruthenates has been investigated. It has been established, that thermal decomposition of complexes depends upon outer spherical cations; complex compound stability decreasing with the rize of cation ionization potential. According to their thermal stability, alkali metal hexacyanoruthenates can be placed in the following row: Li < Na < K < Rb < Cs. Decomposition of Na, Rb and Cs complexes is accompanied by formation of thermally stable cyanides of these metals

  8. Spectral and thermal investigation of tetrabenzoylacetonatobenzoylacetonediuranyl

    International Nuclear Information System (INIS)

    Kostyuk, N.N.; Dik, T.A.; Klavsut', G.N.; Umrejko, D.S.

    1989-01-01

    Uranium(6) compound with benzoylacetone (NBA) of [(UO 2 ) 2 (NBA)(BA) 4 ] composition was prepared by the method of electrochemical synthesis in oxidizing medium. Spectral and thermal investigation (data of IR, Raman spectra, TG, DTA) was conducted to show that four NBA molecules entered the compound as acidoligands and one NBA molecule (being a bridge) - as neutral ligand in keto-form. Mechanism of thermal decomposition was suggested and kinetic parameters of thermolysis of examined substance were calculated

  9. 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.

  10. Domain decomposition method of stochastic PDEs: a two-level scalable preconditioner

    International Nuclear Information System (INIS)

    Subber, Waad; Sarkar, Abhijit

    2012-01-01

    For uncertainty quantification in many practical engineering problems, the stochastic finite element method (SFEM) may be computationally challenging. In SFEM, the size of the algebraic linear system grows rapidly with the spatial mesh resolution and the order of the stochastic dimension. In this paper, we describe a non-overlapping domain decomposition method, namely the iterative substructuring method to tackle the large-scale linear system arising in the SFEM. The SFEM is based on domain decomposition in the geometric space and a polynomial chaos expansion in the probabilistic space. In particular, a two-level scalable preconditioner is proposed for the iterative solver of the interface problem for the stochastic systems. The preconditioner is equipped with a coarse problem which globally connects the subdomains both in the geometric and probabilistic spaces via their corner nodes. This coarse problem propagates the information quickly across the subdomains leading to a scalable preconditioner. For numerical illustrations, a two-dimensional stochastic elliptic partial differential equation (SPDE) with spatially varying non-Gaussian random coefficients is considered. The numerical scalability of the the preconditioner is investigated with respect to the mesh size, subdomain size, fixed problem size per subdomain and order of polynomial chaos expansion. The numerical experiments are performed on a Linux cluster using MPI and PETSc parallel libraries.

  11. Decomposition of Copper (II) Sulfate Pentahydrate: A Sequential Gravimetric Analysis.

    Science.gov (United States)

    Harris, Arlo D.; Kalbus, Lee H.

    1979-01-01

    Describes an improved experiment of the thermal dehydration of copper (II) sulfate pentahydrate. The improvements described here are control of the temperature environment and a quantitative study of the decomposition reaction to a thermally stable oxide. Data will suffice to show sequential gravimetric analysis. (Author/SA)

  12. An optimized ensemble local mean decomposition method for fault detection of mechanical components

    International Nuclear Information System (INIS)

    Zhang, Chao; Chen, Shuai; Wang, Jianguo; Li, Zhixiong; Hu, Chao; Zhang, Xiaogang

    2017-01-01

    Mechanical transmission systems have been widely adopted in most of industrial applications, and issues related to the maintenance of these systems have attracted considerable attention in the past few decades. The recently developed ensemble local mean decomposition (ELMD) method shows satisfactory performance in fault detection of mechanical components for preventing catastrophic failures and reducing maintenance costs. However, the performance of ELMD often heavily depends on proper selection of its model parameters. To this end, this paper proposes an optimized ensemble local mean decomposition (OELMD) method to determinate an optimum set of ELMD parameters for vibration signal analysis. In OELMD, an error index termed the relative root-mean-square error ( Relative RMSE ) is used to evaluate the decomposition performance of ELMD with a certain amplitude of the added white noise. Once a maximum Relative RMSE , corresponding to an optimal noise amplitude, is determined, OELMD then identifies optimal noise bandwidth and ensemble number based on the Relative RMSE and signal-to-noise ratio (SNR), respectively. Thus, all three critical parameters of ELMD (i.e. noise amplitude and bandwidth, and ensemble number) are optimized by OELMD. The effectiveness of OELMD was evaluated using experimental vibration signals measured from three different mechanical components (i.e. the rolling bearing, gear and diesel engine) under faulty operation conditions. (paper)

  13. An optimized ensemble local mean decomposition method for fault detection of mechanical components

    Science.gov (United States)

    Zhang, Chao; Li, Zhixiong; Hu, Chao; Chen, Shuai; Wang, Jianguo; Zhang, Xiaogang

    2017-03-01

    Mechanical transmission systems have been widely adopted in most of industrial applications, and issues related to the maintenance of these systems have attracted considerable attention in the past few decades. The recently developed ensemble local mean decomposition (ELMD) method shows satisfactory performance in fault detection of mechanical components for preventing catastrophic failures and reducing maintenance costs. However, the performance of ELMD often heavily depends on proper selection of its model parameters. To this end, this paper proposes an optimized ensemble local mean decomposition (OELMD) method to determinate an optimum set of ELMD parameters for vibration signal analysis. In OELMD, an error index termed the relative root-mean-square error (Relative RMSE) is used to evaluate the decomposition performance of ELMD with a certain amplitude of the added white noise. Once a maximum Relative RMSE, corresponding to an optimal noise amplitude, is determined, OELMD then identifies optimal noise bandwidth and ensemble number based on the Relative RMSE and signal-to-noise ratio (SNR), respectively. Thus, all three critical parameters of ELMD (i.e. noise amplitude and bandwidth, and ensemble number) are optimized by OELMD. The effectiveness of OELMD was evaluated using experimental vibration signals measured from three different mechanical components (i.e. the rolling bearing, gear and diesel engine) under faulty operation conditions.

  14. Sponge-like silver obtained by decomposition of silver nitrate hexamethylenetetramine complex

    Energy Technology Data Exchange (ETDEWEB)

    Afanasiev, Pavel, E-mail: pavel.afanasiev@ircelyon.univ-lyon.fr

    2016-07-15

    Silver nitrate hexamethylenetetramine [Ag(NO{sub 3})·N{sub 4}(CH{sub 2}){sub 6}] coordination compound has been prepared via aqueous route and characterized by chemical analysis, XRD and electron microscopy. Decomposition of [Ag(NO{sub 3})·N{sub 4}(CH{sub 2}){sub 6}] under hydrogen and under inert has been studied by thermal analysis and mass spectrometry. Thermal decomposition of [Ag(NO{sub 3})·N{sub 4}(CH{sub 2}){sub 6}] proceeds in the range 200–250 °C as a self-propagating rapid redox process accompanied with the release of multiple gases. The decomposition leads to formation of sponge-like silver having hierarchical open pore system with pore size spanning from 10 µm to 10 nm. The as-obtained silver sponges exhibited favorable activity toward H{sub 2}O{sub 2} electrochemical reduction, making them potentially interesting as non-enzyme hydrogen peroxide sensors. - Graphical abstract: Thermal decomposition of silver nitrate hexamethylenetetramine coordination compound [Ag(NO{sub 3})·N{sub 4}(CH{sub 2}){sub 6}] leads to sponge like silver that possesses open porous structure and demonstrates interesting properties as an electrochemical hydrogen peroxide sensor. Display Omitted - Highlights: • [Ag(NO{sub 3})·N{sub 4}(CH{sub 2}){sub 6}] orthorhombic phase prepared and characterized. • Decomposition of [Ag(NO{sub 3})·N{sub 4}(CH{sub 2}){sub 6}] leads to metallic silver sponge with opened porosity. • Ag sponge showed promising properties as a material for hydrogen peroxide sensors.

  15. Appling Laplace Adomian decomposition method for delay differential equations with boundary value problems

    Science.gov (United States)

    Yousef, Hamood Mohammed; Ismail, Ahmad Izani

    2017-11-01

    In this paper, Laplace Adomian decomposition method (LADM) was applied to solve Delay differential equations with Boundary Value Problems. The solution is in the form of a convergent series which is easy to compute. This approach is tested on two test problem. The findings obtained exhibit the reliability and efficiency of the proposed method.

  16. Thermal decomposition pathway of undoped and doped zinc layered gallate nanohybrid with Fe 3+, Co 2+ and Ni 2+ to produce mesoporous and high pore volume carbon material

    Science.gov (United States)

    Ghotbi, Mohammad Yeganeh; bin Hussein, Mohd Zobir; Yahaya, Asmah Hj; Abd Rahman, Mohd Zaki

    2009-12-01

    A series of brucite-like materials, undoped and doped zinc layered hydroxide nitrate with 2% (molar) Fe 3+, Co 2+ and Ni 2+ were synthesized. Organic-inorganic nanohybrid material with gallate anion as a guest, and zinc hydroxide nitrate, as an inorganic layered host was prepared by the ion-exchange method. The nanohybrid materials were heat-treated at various temperatures, 400-700 °C. X-ray diffraction, thermal analysis and also Fourier transform infrared results showed that incorporation of the doping agents within the zinc layered hydroxide salt layers has enhanced the heat-resistivity of the nanohybrid materials in the thermal decomposition pathway. Porous carbon materials can be obtained from the heat-treating the nanohybrids at 600 and 700 °C. Calcination of the nanohybrids at 700 °C under nitrogen atmosphere produces mesoporous and high pore volume carbon materials.

  17. Kinetic analysis of the thermal decomposition of Li4Ti5O12 pellets

    Directory of Open Access Journals (Sweden)

    Hugo A. Mosqueda

    2011-12-01

    Full Text Available A single dynamic kinetic analysis, describing the surface decomposition of Li4Ti5O12 pellets, has been performed. Samples were analyzed by X-ray diffraction and scanning electron microscopy. The analyses were performed between 1000 and 1100°C and different times, perceiving the Li4Ti5O12 decomposition to Li2Ti3O7, with a loss of lithium. As expected, more rapid decomposition behaviour was found at higher temperatures. Finally, the activation energy for this decomposition of Li4Ti5O12 to Li2Ti3O7 was estimated to be equal to 383 kJ/mol.

  18. High-temperature unimolecular decomposition of ethyl propionate

    KAUST Repository

    Giri, Binod; Alabbad, Mohammed; Farooq, Aamir

    2016-01-01

    This work reports rate coefficients of the thermal unimolecular decomposition reaction of ethyl propionate (EP) behind reflected shock waves over the temperature range of 976–1300 K and pressures of 825–1875 Torr. The reaction progress was monitored

  19. Dual Decomposition for Large-Scale Power Balancing

    DEFF Research Database (Denmark)

    Halvgaard, Rasmus; Jørgensen, John Bagterp; Vandenberghe, Lieven

    2013-01-01

    Dual decomposition is applied to power balancing of exible thermal storage units. The centralized large-scale problem is decomposed into smaller subproblems and solved locallyby each unit in the Smart Grid. Convergence is achieved by coordinating the units consumption through a negotiation...

  20. On formation of neptunium(5) and (6) during thermal decomposition of neptunium(4) compounds

    International Nuclear Information System (INIS)

    Bessonov, A.A.; Afonas'eva, T.V.; Krot, N.N.

    1989-01-01

    A study was made on thermal behaviour of neptunium(4) peroxide (1), binary nitrate of neptunium(4) and ammonium (2), as well as neptunium(4) oxalate (3). It was established that 1 decomposed to NpO 2 in three stages with formation of neptunium(5) hydroxide at 80-100 deg C, transformed to Np 2 O 5 during further heating. The compound 2 is stable up to 150 deg C, and then decomposition, accompanied by intramolecular neptunium oxidation with formation of NH 4 NpO 2 (NO 3 ) 3 , takes place. This compound is transformed to Np 2 O 5 at 260-290 deg C. It was revealed that during 3 heating in the air at 270-330 deg C more than 70 % of metal could be transformed to pentavalent form, which was probably related with (NpO 2 ) 2 C 2 O 4 formation

  1. In situ polyphenyl derivatisation and the effect of thermal decomposition of adsorbed and chemisorbed polyphenyls on the structure of multi-wall carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Gergely, Andras, E-mail: doohan11@chemres.hu [Department of Surface Modification and Nanostructures, Institute of Nanochemistry and Catalysis, Chemical Research Center of the Hungarian Academy of Sciences, Pusztaszeri ut 59-67, Budapest 1025 (Hungary); Ujszaszy, Kalman [Mass Spectrometry Department, Institute of Structural Chemistry, Pusztaszeri ut 59-67, Chemical Research Center of the Hungarian Academy of Sciences, Budapest 1025 (Hungary); Peltz, Csaba [EGIS Pharmaceuticals PLC, Kereszturi ut 30-38, Budapest 1106 (Hungary); Kiraly, Peter; Tarkanyi, Gabor [NMR Spectroscopy Department, Institute of Structural Chemistry, Chemical Research Center of the Hungarian Academy of Sciences, Pusztaszeri ut 59-67, Budapest 1025 (Hungary); Mihaly, Judith [Department of Biological Nanochemistry, Institute of Nanochemistry and Catalysis, Chemical Research Center of the Hungarian Academy of Sciences, Pusztaszeri ut 59-67, Budapest 1025 (Hungary); Kalman, Erika [Department of Surface Modification and Nanostructures, Institute of Nanochemistry and Catalysis, Chemical Research Center of the Hungarian Academy of Sciences, Pusztaszeri ut 59-67, Budapest 1025 (Hungary)

    2011-05-01

    This study presents the exploitation of an alternative reaction route of deamination of arylamines to perform in situ derivatisation of multi-walled carbon nanotubes (MWCNTs) with polyphenyl (PPh) species of various masses. As a result of consecutive derivatisation, high conversion of PPh grafting of the MWCNTs was realised with the collateral outgrowth of physical modification with adsorbed additional PPhs. Applied derivatisation process exceeds the monolayer coverage related superficial saturation limitations in the overall grafting yield of the nanotubes. Thus, a linear relationship was recognized between the overall quantities of chemisorbed PPhs composed of D{sub 5}-phenylene oligomers and the applied excess of diazonium activated reagents, corresponding to {sup 2}H MAS NMR spectroscopy results. According to mass spectrometry (MS) investigations, uniform thermal decomposition of the chemisorbed PPhs modified MWCNTs was found besides the more intense and altered decomposition characteristic-featured adsorbate-chemisorbate PPhs contained MWCNTs during sequential pyrolysis under inert atmosphere. This is attributed to the pyrolysis provoked isomerisation, decomposition and the formation of adsorbed and chemisorbed PPh moieties. As a result, a mediated and an even more pronounced degradation in the order of graphitic lattice of the MWCNTs were evidenced in the adsorbate-chemisorbate and the chemisorbate PPhs contained samples by FT-Raman spectroscopy and transmission electron microscopy (TEM), respectively. {sup 2}H MAS NMR supplied results of relevant amount of deuterium in the chemisorbate PPh contained sample without traces of aromatic related MS detected volatile products, these allow us to conclude about a thermally stable derivatisation that is interpreted as an endohedral modification of the nanotubes.

  2. Novel route for layered double hydroxides preparation by enzymatic decomposition of urea

    Science.gov (United States)

    Vial, S.; Prevot, V.; Forano, C.

    2006-05-01

    This study presents a new route for the preparation of a series of layered double hydroxide materials with controlled textural properties. It concerns the biogenesis of hydrotalcite like phases by Jack bean urease through the enzymatic decomposition process of urea. Different conditions of LDH biogenesis are investigated (urease activity, urea concentration). A comparative study with the precipitation method based on the thermal decomposition of urea (90 °C) is conducted in order to asses the effect of the various urea hydrolysis conditions (kinetic, temperature) and the presence of enzyme in the reaction medium on the structural and textural properties of the as prepared LDH materials. Mechanisms of formation of the LDH phases for both synthesis processes are discussed on basis of their pH control. The PXRD and SEM analysis of samples prepared by the thermal process evidence higher crystallinity and greater particle sizes than LDH obtained in mild biogenic conditions. In the latter case, presence of urease or effect of some M(II) metals may inhibit the crystallization.

  3. Thermoelectrical and thermal analyses of copper(II) acetate monohydrate ZnO-matrix composite powder obtained by freeze-drying

    International Nuclear Information System (INIS)

    Bellini, Jusmar Valentin; Pineda, Edgardo Alfonso Gomez; Rocha, Raquel de Almeida; Ponzoni, Andre Luis de Lima; Paesano, Andrea

    2006-01-01

    The thermal history of freeze-dried mixtures of composite powders containing ZnO-matrix and (CH 3 COO) 2 Cu.H 2 O (copper(II) acetate monohydrate) was undertaken by thermal analysis (TA) coupled to thermoelectrical analysis (TEA). Experiments were carried out on compacted samples, under non-isothermal conditions, in air, up to 350 deg. C, by measuring the electrical resistance during heating, called thermoelectrical resistometry (TER), and by differential scanning calorimetry (DSC). Activation energy (E a ) for exothermal events related to the decomposition of (CH 3 COO) 2 Cu (copper(II) acetate, CuAc 2 ), observed within the range 225-325 deg. C, was estimated according to ASTM E 698 method. Values of E a equal to 154 and 155 kJ/mol were obtained by TER and DSC, respectively. TER showed that the thermal decomposition of CuAc 2 involves the liberation of electrons. Results also indicated that TER may be used as an alternative or complementary method for the study of the thermal decomposition mechanisms of transition metal(II) acetates

  4. A Thermal Runaway Simulation on a Lithium Titanate Battery and the Battery Module

    Directory of Open Access Journals (Sweden)

    Man Chen

    2015-01-01

    Full Text Available Based on the electrochemical and thermal model, a coupled electro-thermal runaway model was developed and implemented using finite element methods. The thermal decomposition reactions when the battery temperature exceeds the material decomposition temperature were embedded into the model. The temperature variations of a lithium titanate battery during a series of charge-discharge cycles under different current rates were simulated. The results of temperature and heat generation rate demonstrate that the greater the current, the faster the battery temperature is rising. Furthermore, the thermal influence of the overheated cell on surrounding batteries in the module was simulated, and the variation of temperature and heat generation during thermal runaway was obtained. It was found that the overheated cell can induce thermal runaway in other adjacent cells within 3 mm distance in the battery module if the accumulated heat is not dissipated rapidly.

  5. The Fourier decomposition method for nonlinear and non-stationary time series analysis.

    Science.gov (United States)

    Singh, Pushpendra; Joshi, Shiv Dutt; Patney, Rakesh Kumar; Saha, Kaushik

    2017-03-01

    for many decades, there has been a general perception in the literature that Fourier methods are not suitable for the analysis of nonlinear and non-stationary data. In this paper, we propose a novel and adaptive Fourier decomposition method (FDM), based on the Fourier theory, and demonstrate its efficacy for the analysis of nonlinear and non-stationary time series. The proposed FDM decomposes any data into a small number of 'Fourier intrinsic band functions' (FIBFs). The FDM presents a generalized Fourier expansion with variable amplitudes and variable frequencies of a time series by the Fourier method itself. We propose an idea of zero-phase filter bank-based multivariate FDM (MFDM), for the analysis of multivariate nonlinear and non-stationary time series, using the FDM. We also present an algorithm to obtain cut-off frequencies for MFDM. The proposed MFDM generates a finite number of band-limited multivariate FIBFs (MFIBFs). The MFDM preserves some intrinsic physical properties of the multivariate data, such as scale alignment, trend and instantaneous frequency. The proposed methods provide a time-frequency-energy (TFE) distribution that reveals the intrinsic structure of a data. Numerical computations and simulations have been carried out and comparison is made with the empirical mode decomposition algorithms.

  6. Neutron transport solver parallelization using a Domain Decomposition method

    International Nuclear Information System (INIS)

    Van Criekingen, S.; Nataf, F.; Have, P.

    2008-01-01

    A domain decomposition (DD) method is investigated for the parallel solution of the second-order even-parity form of the time-independent Boltzmann transport equation. The spatial discretization is performed using finite elements, and the angular discretization using spherical harmonic expansions (P N method). The main idea developed here is due to P.L. Lions. It consists in having sub-domains exchanging not only interface point flux values, but also interface flux 'derivative' values. (The word 'derivative' is here used with quotes, because in the case considered here, it in fact consists in the Ω.∇ operator, with Ω the angular variable vector and ∇ the spatial gradient operator.) A parameter α is introduced, as proportionality coefficient between point flux and 'derivative' values. This parameter can be tuned - so far heuristically - to optimize the method. (authors)

  7. Pyrolysis of aseptic packages (tetrapak) in a laboratory screw type reactor and secondary thermal/catalytic tar decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Haydary, J., E-mail: juma.haydary@stuba.sk [Institute of Chemical and Environmental Engineering, Faculty of Chemical and Food Technology, Slovak University of Technology, Radlinského 9, 812 37 Bratislava (Slovakia); Susa, D.; Dudáš, J. [Institute of Chemical and Environmental Engineering, Faculty of Chemical and Food Technology, Slovak University of Technology, Radlinského 9, 812 37 Bratislava (Slovakia)

    2013-05-15

    Highlights: ► Pyrolysis of aseptic packages was carried out in a laboratory flow reactor. ► Distribution of tetrapak into the product yields was obtained. ► Composition of the pyrolysis products was estimated. ► Secondary thermal and catalytic decomposition of tars was studied. ► Two types of catalysts (dolomite and red clay marked AFRC) were used. - Abstract: Pyrolysis of aseptic packages (tetrapak cartons) in a laboratory apparatus using a flow screw type reactor and a secondary catalytic reactor for tar cracking was studied. The pyrolysis experiments were realized at temperatures ranging from 650 °C to 850 °C aimed at maximizing of the amount of the gas product and reducing its tar content. Distribution of tetrapak into the product yields at different conditions was obtained. The presence of H{sub 2}, CO, CH{sub 4}, CO{sub 2} and light hydrocarbons, HCx, in the gas product was observed. The Aluminum foil was easily separated from the solid product. The rest part of char was characterized by proximate and elemental analysis and calorimetric measurements. The total organic carbon in the tar product was estimated by elemental analysis of tars. Two types of catalysts (dolomite and red clay marked AFRC) were used for catalytic thermal tar decomposition. Three series of experiments (without catalyst in a secondary cracking reactor, with dolomite and with AFRC) at temperatures of 650, 700, 750, 800 and 850 °C were carried out. Both types of catalysts have significantly affected the content of tars and other components in pyrolytic gases. The effect of catalyst on the tetrapack distribution into the product yield on the composition of gas and on the total organic carbon in the tar product is presented in this work.

  8. Effects of calibration methods on quantitative material decomposition in photon-counting spectral computed tomography using a maximum a posteriori estimator.

    Science.gov (United States)

    Curtis, Tyler E; Roeder, Ryan K

    2017-10-01

    Advances in photon-counting detectors have enabled quantitative material decomposition using multi-energy or spectral computed tomography (CT). Supervised methods for material decomposition utilize an estimated attenuation for each material of interest at each photon energy level, which must be calibrated based upon calculated or measured values for known compositions. Measurements using a calibration phantom can advantageously account for system-specific noise, but the effect of calibration methods on the material basis matrix and subsequent quantitative material decomposition has not been experimentally investigated. Therefore, the objective of this study was to investigate the influence of the range and number of contrast agent concentrations within a modular calibration phantom on the accuracy of quantitative material decomposition in the image domain. Gadolinium was chosen as a model contrast agent in imaging phantoms, which also contained bone tissue and water as negative controls. The maximum gadolinium concentration (30, 60, and 90 mM) and total number of concentrations (2, 4, and 7) were independently varied to systematically investigate effects of the material basis matrix and scaling factor calibration on the quantitative (root mean squared error, RMSE) and spatial (sensitivity and specificity) accuracy of material decomposition. Images of calibration and sample phantoms were acquired using a commercially available photon-counting spectral micro-CT system with five energy bins selected to normalize photon counts and leverage the contrast agent k-edge. Material decomposition of gadolinium, calcium, and water was performed for each calibration method using a maximum a posteriori estimator. Both the quantitative and spatial accuracy of material decomposition were most improved by using an increased maximum gadolinium concentration (range) in the basis matrix calibration; the effects of using a greater number of concentrations were relatively small in

  9. Thermal decomposition of hydroiodic acid and hydrogen separation

    International Nuclear Information System (INIS)

    Yeheskel, J.; Leger, D.; Courvoisier, P.

    1978-01-01

    The reaction of decomposition of hydroiodic acid is included in a promising water splitting process (sulfur-iodine cycle). An experimental program is running in order to overcome some basic difficulties and data shortcomings which stand in the way of achieving that target. The core of the experimental system is the palladium silver (23% Ag) membrane tube reactor in which the feed gas entered the inner side of the tube. Four series of different kinds of experiments have been performed: 1) diffusion of hydrogen from a pure feed hydrogen stream through the membrane; the results are statistically analyzed due to the present correlations of the H 2 specific permeability as a function of temperature and pressure (up to 600 0 C and 20 bar); 2) separation of hydrogen from a binary feed mixture H 2 -He; a mathematical model is developed for this operation; 3) indication of the poisoning effect of a little amount of hydroiodic acid on the hydrogen pereability; this effect is partly reversible at high temperatures; 4) a performance of one continuous experiment of HI decomposition into the membrane tube at steady pressure and temperature of 8 bar and 500 0 C; the results prove the catalytic activity of the membrane surface

  10. Curing behavior and thermal properties of trifunctional epoxy resin cured by 4, 4’-diaminodiphenyl sulfone

    Directory of Open Access Journals (Sweden)

    2009-08-01

    Full Text Available A novel trifunctional epoxy resin 4-(3, 3-dihydro-7-hydroxy-2, 4, 4-trimethyl-2H-1-benzopyran-2-yl-1, 3-benzenediol glycidyl (shorted as TMBPBTH-EPOXY was synthesized in our lab to improve thermal performance. Its curing behavior and performance were studied by using 4, 4′-diaminodiphenyl sulfone (DDS as hardener with the mass ratio of 100:41 of TMBPBTH-EPOXY and DDS. The curing activation energy was investigated by differential scanning calorimetry (DSC to be 64.0 kJ/mol estimated by Kissinger’s method and 68.7 kJ/mol estimated by Flynn-Wall-Ozawa method respectively. Thermogravimetric analyzer (TGA was used to investigate the thermal decomposition of cured compounds. It was found that when curing temperature was lower than 180°C, the thermal decomposition temperature increased with the rise of curing temperature and curing time. On the other hand, when the curing temperature was higher than 180°C, the thermal decomposition temperature went down instead with the increase of curing time that might be the over-crosslinking of TMBPBTH-EPOXY and DDS hardener. The glass transition temperature (Tg of cured TMBPBTH-EPOXY/DDS compound determined by dynamic mechanical thermal analysis (DMTA is 290.1°C.

  11. Thermal Co-Decomposition of Silver Acetylacetonate and Tin (II) Hexafluoroacetylacetonate: Formation of Carbonaceous Ag/AgxSn(x=4 and 6.7)/SnO2 Composites

    Czech Academy of Sciences Publication Activity Database

    Křenek, T.; Duchek, P.; Urbanová, Markéta; Pokorná, Dana; Bezdička, Petr; Jakubec, Ivo; Pola, M.; Čerstvý, R.; Kovářík, T.; Galíková, Anna; Pola, Josef

    2013-01-01

    Roč. 566, AUG 20 (2013), s. 92-99 ISSN 0040-6031 Grant - others:GA MŠK(CZ) CZ1.05/2.1.00/03.0088 Institutional support: RVO:67985858 ; RVO:61388980 Keywords : co-decomposition * thermal gravimetric analysis * Ag-Sn intermetallic compounds Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.105, year: 2013

  12. 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

  13. A New Efficient Algorithm for the 2D WLP-FDTD Method Based on Domain Decomposition Technique

    Directory of Open Access Journals (Sweden)

    Bo-Ao Xu

    2016-01-01

    Full Text Available This letter introduces a new efficient algorithm for the two-dimensional weighted Laguerre polynomials finite difference time-domain (WLP-FDTD method based on domain decomposition scheme. By using the domain decomposition finite difference technique, the whole computational domain is decomposed into several subdomains. The conventional WLP-FDTD and the efficient WLP-FDTD methods are, respectively, used to eliminate the splitting error and speed up the calculation in different subdomains. A joint calculation scheme is presented to reduce the amount of calculation. Through our work, the iteration is not essential to obtain the accurate results. Numerical example indicates that the efficiency and accuracy are improved compared with the efficient WLP-FDTD method.

  14. Lattice thermal expansions of NpN, PuN and AmN

    International Nuclear Information System (INIS)

    Takano, Masahide; Akabori, Mitsuo; Arai, Yasuo; Minato, Kazuo

    2008-01-01

    Lattice parameters of NpN, PuN and AmN were measured by a high temperature X-ray diffraction method from room temperature up to 1478 K. Linear thermal expansions of these TRU nitrides were determined as a function of temperature. The average coefficients of linear thermal expansion from 293 to 1273 K were 8.8, 11.1 and 11.2 x 10 -6 K -1 for NpN, PuN and AmN, respectively. The instantaneous coefficient of thermal expansion either at 293 or at 1273 K against the reciprocal decomposition temperature under 1 atm of nitrogen showed a linear relationship for TiN, ZrN, HfN, UN, NpN and PuN. Based on this relationship, the decomposition temperature of AmN was roughly predicted to be 2700 K

  15. Decomposition of spectra in EPR dosimetry using the matrix method

    International Nuclear Information System (INIS)

    Sholom, S.V.; Chumak, V.V.

    2003-01-01

    The matrix method of EPR spectra decomposition is developed and adapted for routine application in retrospective EPR dosimetry with teeth. According to this method, the initial EPR spectra are decomposed (using methods of matrix algebra) into several reference components (reference matrices) that are specific for each material. Proposed procedure has been tested on the example of tooth enamel. Reference spectra were a spectrum of an empty sample tube and three standard signals of enamel (two at g=2.0045, both for the native signal and one at g perpendicular =2.0018, g parallel =1.9973 for the dosimetric signal). Values of dosimetric signals obtained using the given method have been compared with data obtained by manual manipulation of spectra, and good coincidence was observed. This allows considering the proposed method as potent for application in routine EPR dosimetry

  16. Decomposition of silica-alumina ores of Afghanistan by sulfuric acid

    International Nuclear Information System (INIS)

    Khomidi, A.K.; Mamatov, E.D.

    2016-01-01

    Present article is devoted to decomposition of silica-alumina ores of Afghanistan by sulfuric acid. Physicochemical properties of initial silica-alumina ores were studied by means of X-ray phase, differential thermal and silicate analysis. The influence of temperature, process duration and acid concentration on extraction rate of valuable components was considered. The optimal conditions of decomposition of silica-alumina ores of Afghanistan by sulfuric acid were proposed.

  17. The application of the fall-vector method in decomposition schemes for the solution of integer linear programming problems

    International Nuclear Information System (INIS)

    Sergienko, I.V.; Golodnikov, A.N.

    1984-01-01

    This article applies the methods of decompositions, which are used to solve continuous linear problems, to integer and partially integer problems. The fall-vector method is used to solve the obtained coordinate problems. An algorithm of the fall-vector is described. The Kornai-Liptak decomposition principle is used to reduce the integer linear programming problem to integer linear programming problems of a smaller dimension and to a discrete coordinate problem with simple constraints

  18. Thermal decomposition study of uranyl nitrate and cerium hydroxide in a spray dryer

    International Nuclear Information System (INIS)

    Silva Wildhagen, G.R. da.

    1993-05-01

    A study, in a spray dryer system based on drying and thermal decomposition of uranyl nitrate solutions aiming the production of uranium trioxide adequate for the use in posterior steps of reduction and hydro fluorination in nuclear fuel cycle; and cerium hydroxide suspensions for the production of cerium oxide with high surface area is presented. Thus, the project and construction of a countercurrent spray dryer was elaborated for capacity of 10 Kg U O 3 /h and 3,5 k Ce O 2 /h. The methodology used in these experiments consisted in the analysis of several parameters (concentration and flow rate of the feed, atomization pressure and inlet temperature of the dryer) over the physical and chemical properties of the products. Using the obtained results, with the help of a mathematical model, it was developed the project of a continuous pilot unity for the production of uranium trioxide or cerium oxide, with capacity of 20 Kg U O 3 /h or 10 Kg Ce O 2 /h, respectively. (author)

  19. Thermal Analysis and Degradation Kinetics of Dextran and Highly Substituted Dextran Acetates

    International Nuclear Information System (INIS)

    Amin, M.; Hussain, M. A.; Shahwar, D.; Hussain, M.

    2015-01-01

    Dextran acetates were synthesized to study their thermal behavior in comparison with pure dextran. The results have indicated that dextran is significantly stabilized after acetylation. Dextran acetates are thermally 65-74 degree C more stable as compared to pure dextran in terms of maximum decomposition temperature (Td/sub m/). Likewise, degradation of dextran acetates also starts and ends later than dextran as shown by relatively higher initial (Td/sub i/) 3-33 degree C and final decomposition temperature (Td/sub f/) 55-69 degree C. The dextran acetates can be arranged in increasing order of thermal stability: dextran acetate DS 2.91 < dextran DS 2.98 < dextran acetate DS 3. The activation energy (Ea) of dextran and dextran acetates was calculated with the help of Friedman, Broido and Chang kinetic models while order of reaction (n) was calculated from thermal data using Chang and Kissinger models. Several other important parameters were also calculated including frequency factor (Z), enthalpy (delta H), Gibbs free energy (delta G) and entropy (delta S). The integral procedural decomposition temperature (IPDT) and comprehensive index of intrinsic thermal stability (ITS) was also drawn from TG curves using Doyle's method. The dependence of IPDT, ITS and Ea on DS of the acetylation of dextran is also discussed. (author)

  20. Carbon dioxide emissions from the electricity sector in major countries: a decomposition analysis.

    Science.gov (United States)

    Li, Xiangzheng; Liao, Hua; Du, Yun-Fei; Wang, Ce; Wang, Jin-Wei; Liu, Yanan

    2018-03-01

    The electric power sector is one of the primary sources of CO 2 emissions. Analyzing the influential factors that result in CO 2 emissions from the power sector would provide valuable information to reduce the world's CO 2 emissions. Herein, we applied the Divisia decomposition method to analyze the influential factors for CO 2 emissions from the power sector from 11 countries, which account for 67% of the world's emissions from 1990 to 2013. We decompose the influential factors for CO 2 emissions into seven areas: the emission coefficient, energy intensity, the share of electricity generation, the share of thermal power generation, electricity intensity, economic activity, and population. The decomposition analysis results show that economic activity, population, and the emission coefficient have positive roles in increasing CO 2 emissions, and their contribution rates are 119, 23.9, and 0.5%, respectively. Energy intensity, electricity intensity, the share of electricity generation, and the share of thermal power generation curb CO 2 emissions and their contribution rates are 17.2, 15.7, 7.7, and 2.8%, respectively. Through decomposition analysis for each country, economic activity and population are the major factors responsible for increasing CO 2 emissions from the power sector. However, the other factors from developed countries can offset the growth in CO 2 emissions due to economic activities.