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Sample records for thermal decomposition mechanisms

  1. 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

  2. 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.

  3. 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

  4. 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

  5. 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

  6. 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.

  7. 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

  8. 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.

  9. 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

  10. 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

  11. 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

  12. 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...

  13. Thermal decomposition mechanism of 1-ethyl-3-methylimidazolium bromide ionic liquid.

    Science.gov (United States)

    Chambreau, Steven D; Boatz, Jerry A; Vaghjiani, Ghanshyam L; Koh, Christine; Kostko, Oleg; Golan, Amir; Leone, Stephen R

    2012-06-21

    In order to better understand the volatilization process for ionic liquids, the vapor evolved from heating the ionic liquid 1-ethyl-3-methylimidazolium bromide (EMIM(+)Br(-)) was analyzed via tunable vacuum ultraviolet photoionization time-of-flight mass spectrometry (VUV-PI-TOFMS) and thermogravimetric analysis mass spectrometry (TGA-MS). For this ionic liquid, the experimental results indicate that vaporization takes place via the evolution of alkyl bromides and alkylimidazoles, presumably through alkyl abstraction via an S(N)2 type mechanism, and that vaporization of intact ion pairs or the formation of carbenes is negligible. Activation enthalpies for the formation of the methyl and ethyl bromides were evaluated experimentally, ΔH(‡)(CH(3)Br) = 116.1 ± 6.6 kJ/mol and ΔH(‡)(CH(3)CH(2)Br) = 122.9 ± 7.2 kJ/mol, and the results are found to be in agreement with calculated values for the S(N)2 reactions. Comparisons of product photoionization efficiency (PIE) curves with literature data are in good agreement, and ab initio thermodynamics calculations are presented as further evidence for the proposed thermal decomposition mechanism. Estimates for the enthalpy of vaporization of EMIM(+)Br(-) and, by comparison, 1-butyl-3-methylimidazolium bromide (BMIM(+)Br(-)) from molecular dynamics calculations and their gas phase enthalpies of formation obtained by G4 calculations yield estimates for the ionic liquids' enthalpies of formation in the liquid phase: ΔH(vap)(298 K) (EMIM(+)Br(-)) = 168 ± 20 kJ/mol, ΔH(f, gas)(298 K) (EMIM(+)Br(-)) = 38.4 ± 10 kJ/mol, ΔH(f, liq)(298 K) (EMIM(+)Br(-)) = -130 ± 22 kJ/mol, ΔH(f, gas)(298 K) (BMIM(+)Br(-)) = -5.6 ± 10 kJ/mol, and ΔH(f, liq)(298 K) (BMIM(+)Br(-)) = -180 ± 20 kJ/mol.

  14. 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.

  15. 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.

  16. 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.

  17. Kinetics and mechanism of thermal processes of nonreversible decomposition of the system N2O4-NO

    International Nuclear Information System (INIS)

    Nesterenko, V.B.; Nichipor, G.V.

    1989-01-01

    Consideration is given to kinetics and mechanism of decomposition of nitrogen oxide in gaseous phase at devated pressures and temperature, decomposition of N 2 O 4 -NO system under flow conditions, as well as to kinetics and mechanism of formation of nitrons oxide. 37 refs.; 13 figs.; 13 tabs

  18. 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...

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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.

  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. 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 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...

  9. 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.

  10. 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.

  11. 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

  12. 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

  13. 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)

  14. 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.)

  15. Synthesis of Cubic Phase-Co Microspheres by Mechanical Solid-State Reaction-Thermal Decomposition and Research on Its Growth Kinetics

    Directory of Open Access Journals (Sweden)

    Ying Deng

    2016-01-01

    Full Text Available Cubic phase cobalt (Co, which can be used as a key component for composite materials given its excellent ductility and internal structure, is not easy to obtain at room temperature. In this study, oxalic acid and cobalt nitrate are used as raw materials to synthesize the cobalt oxalate precursor, which has a stable structure with a five-membered chelate ring. Cobalt oxalate microspheres, having a high internal energy content, were prepared by using mechanical solid-state reaction in the presence of a surfactant, which can produce spherical micelles. The thermal decomposition of the precursor was carried out by maintaining it in a nitrogen atmosphere at 450°C for 3 h. At the end of the procedure, 100 nm cubic phase-Co microspheres, stable at room temperature, were obtained. Isothermal and nonisothermal kinetic mechanisms of cobalt grain growth were investigated. The cubic-Co grain growth activation energy, Q, was calculated in this study to be 71.47 kJ/mol. The required reaction temperature was low, making the production process simple and suitable for industrial applications.

  16. Catalysis mechanism of Pd-promoted γ-alumina in the thermal decomposition of methane to hydrogen: A density functional theory study

    International Nuclear Information System (INIS)

    Salam, M. Abdus; Abdullah, Bawadi

    2017-01-01

    Thermo-catalytic methane decomposition to elemental hydrogen mechanism in transitional metals (Pd, Ni & Mo) promoted Al_2O_3 (001) catalyst have been studied using the density functional theory (DFT). Decomposition reactions are spontaneous and favourable above 775 K for all promoter. Pd-promoted Al_2O_3 (001) catalyst demonstrates a breakthrough decomposition activity in hydrogen production as compared to Ni− and Mo-promoted Al_2O_3 (001) catalysts. The activation energy (E_a) range of the catalysis for Pd promoted Al_2O_3 (001) catalysts is 0.003–0.34 eV. Whereas, Ni and Mo promoted Al_2O_3 (001) catalysts display activation energy E_a in the range of 0.63–1.15 eV and 0.04–5.98 eV, respectively. Pd-promoted catalyst also shows a higher adsorption energy (−0.68 eV) and reactivity than that of Ni and Mo promoted Al_2O_3 (001) catalysts. The rates of successive decomposition of methane are found to be 16.15 × 10"1"2, 15.95 × 10"1"2 and 16.09 × 10"1"2 s"−"1 for the promoter of Pd, Ni and Mo, respectively. Pd promoted Al_2O_3 (001) catalyst reduces the methane decomposition temperature (775 K) and deactivation rate significantly. The catalytic conditions and catalyst is promising in producing hydrogen to support hydrogen economy. - Highlights: • Transition metals (Pd, Ni & Mo) promoted γ-alumina catalysts are designed successfully. • Pd-promoted catalyst showed breakthrough activity in methane decomposition to hydrogen. • DFT study explored the catalysis mechanism of methane decomposition at atomic level. • Pd-promoted catalyst reduced temperature and activation barrier of methane decomposition reaction significantly.

  17. 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.)

  18. 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

  19. Catalysis mechanism of Pd-promoted γ-alumina in the thermal decomposition of methane to hydrogen: A density functional theory study

    Energy Technology Data Exchange (ETDEWEB)

    Salam, M. Abdus; Abdullah, Bawadi, E-mail: bawadi_abdullah@utp.edu.my

    2017-02-15

    Thermo-catalytic methane decomposition to elemental hydrogen mechanism in transitional metals (Pd, Ni & Mo) promoted Al{sub 2}O{sub 3} (001) catalyst have been studied using the density functional theory (DFT). Decomposition reactions are spontaneous and favourable above 775 K for all promoter. Pd-promoted Al{sub 2}O{sub 3} (001) catalyst demonstrates a breakthrough decomposition activity in hydrogen production as compared to Ni− and Mo-promoted Al{sub 2}O{sub 3} (001) catalysts. The activation energy (E{sub a}) range of the catalysis for Pd promoted Al{sub 2}O{sub 3} (001) catalysts is 0.003–0.34 eV. Whereas, Ni and Mo promoted Al{sub 2}O{sub 3} (001) catalysts display activation energy E{sub a} in the range of 0.63–1.15 eV and 0.04–5.98 eV, respectively. Pd-promoted catalyst also shows a higher adsorption energy (−0.68 eV) and reactivity than that of Ni and Mo promoted Al{sub 2}O{sub 3} (001) catalysts. The rates of successive decomposition of methane are found to be 16.15 × 10{sup 12}, 15.95 × 10{sup 12} and 16.09 × 10{sup 12} s{sup −1} for the promoter of Pd, Ni and Mo, respectively. Pd promoted Al{sub 2}O{sub 3} (001) catalyst reduces the methane decomposition temperature (775 K) and deactivation rate significantly. The catalytic conditions and catalyst is promising in producing hydrogen to support hydrogen economy. - Highlights: • Transition metals (Pd, Ni & Mo) promoted γ-alumina catalysts are designed successfully. • Pd-promoted catalyst showed breakthrough activity in methane decomposition to hydrogen. • DFT study explored the catalysis mechanism of methane decomposition at atomic level. • Pd-promoted catalyst reduced temperature and activation barrier of methane decomposition reaction significantly.

  20. 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.

  1. 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.

  2. 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

  3. 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.

  4. 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

  5. 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

  6. 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

  7. 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.)

  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 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.)

  10. 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)

  11. 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

  12. 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.

  13. 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.

  14. 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.

  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. Synthesis, crystal structure and thermal decomposition mechanism of the complex [Sm(p-BrBA)3bipy.H2O]2.H2O

    International Nuclear Information System (INIS)

    Zhang Haiyan; Zhang Jianjun; Ren Ning; Xu Suling; Tian Liang; Bai Jihai

    2008-01-01

    A new binuclear samarium (III) complex [Sm(p-BrBA) 3 bipy.H 2 O] 2 .H 2 O (p-BrBA = p-bromobenzoic acid; bipy = 2,2'-bipyridine) has been synthesized and characterized by elemental analysis, UV, IR, molar conductance and TG-DTG techniques. The structure of the complex was established by single crystal X-ray diffraction. It crystallizes in triclinic, space group P1-bar with a = 8.2476(7) A, b = 13.3483(10) A, c = 15.9035(13) A, α 73.9160(10) o , β = 78.9630(10) o , γ = 74.4770(10) o , Z = 1, D c 1.947 g cm -3 , F(000) = 910. The carboxylic groups are bonded to the samarium ion in two modes: bidentate bridging, monodentate. Each center Sm 3+ ion is eight-coordinated by one 2,2'-bipyridine molecular, four bidentate bridging and a monodentate carboxylic group, as well as one water molecular. The coordination polyhedron around each Sm 3+ ion can be described as bi-capped triangular prism geometry. The thermal decomposition behavior of the title complex in a static air atmosphere was investigated by TG-DTG and IR techniques

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

    OpenAIRE

    Tr?vn??ek, Zden?k; Zbo?il, Radek; Matikov?-Ma?arov?, Miroslava; Draho?, Bohuslav; ?ern?k, Juraj

    2013-01-01

    Background 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 deco...

  18. 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

  19. 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 ...

  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. 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...

  2. 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...

  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. 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.

  5. 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)

  6. 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...

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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

  12. 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

  13. 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.

  14. 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)

  15. 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.

  16. 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...

  17. 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

  18. Thermal decomposition of irradiated casein molecules

    Energy Technology Data Exchange (ETDEWEB)

    Aly, M A; Elsayed, A A [Biophysics Dept., Faculty of Science, Cairo University, Giza (Egypt)

    1997-12-31

    Non-isothermal studies were carried out using the derivatograph where thermogravimetry (TG), and differential thermogravimetry (DTG) measurements were used to obtain the activation energies of the first and second reactions for casein decomposition before and after exposure to gamma rays and fast neutrons. Cf- 252 was used as a source of fast neutrons associated with gamma rays. TG and DTG patterns were also recorded for casein samples before and after irradiation with 1 Gy gamma-rays of 0.662 MeV from Cs - 137. However, no change in a activation energies were observed after exposure to gamma-irradiation. On the other hand, the activation energies for first and second reactions were found to be smaller at 0.4 m Gy than that at lower and higher neutron doses. However, no change in activation energies was observed after {gamma} irradiation. It is concluded from the present study that destruction of casein molecules by low level fast neutron doses may lead to changes of shelf storage period milk. 3 figs., 1 tab.

  19. 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.

  20. 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

  1. 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.

  2. Decomposition of thermal-equilibrium states

    International Nuclear Information System (INIS)

    Gu Lei

    2010-01-01

    It is shown that a thermal-equilibrium state can be decomposed into a tensor product of the operators in subspaces of single-particle energy. On the basis of this form, a straightforward derivation of the Fermi-Dirac and the Bose-Einstein distribution is performed. The derivation can be generalized for systems with weak interaction to obtain an approximate distribution in momentum.

  3. Pull-push mechanism for the 1,2-hydrogen rearrangement of carbenes. Substituent and deuterium isotope effects for thermal decomposition of 1-phenyl-2-diazopropanes

    International Nuclear Information System (INIS)

    Su, D.T.T.; Thornton, E.R.

    1978-01-01

    Intramolecular and intermolecular deuterium isotope effects have been measured for the thermal carbene H rearrangements of three substituted 1-phenyl-2-diazopropanes-1-d in hexane at 25 0 C. The isotope effects, k/sub H//k/sub D/, vary from ca. 1.2 to 1.5, increasing with electron-withdrawing substituents, for the formation of both cis- and trans-β-methylstyrenes. Product ratios were determined for these compounds as well as the corresponding undeuterated ones, permitting calculation of intermolecular primary and secondary isotope effects. In addition, the competition among the cis and trans products and the product of H migration from the terminal methyl group permitted determination of Hammett rho values of ca. -1 for the competition between benzylic and terminal migration. The results strongly indicate a ''pull-push'' mechanism, which can be pictured roughly as electrophilic attack on the C--H bond by the phantom p orbital of the carbene along with backside nucleophilic attack by the carbene unshared electron pair to push the H away and form the π bond. The data are believed to be consistent only with a nonzero barrier for the carbene hydrogen rearrangement

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  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. 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.

  10. 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.)

  11. 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.)

  12. 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

  13. 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.

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

    Science.gov (United States)

    Park, J.; Lin, M. C.

    2009-10-01

    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.

  15. 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.

  16. 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.

  17. 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.

  18. 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)

  19. 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.

  20. 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.

  1. 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.

  2. 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

  3. 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.

  4. 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.

  5. 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

  6. 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.

  7. 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.

  8. 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.

  9. Reaction mechanism of reductive decomposition of FGD gypsum with anthracite

    International Nuclear Information System (INIS)

    Zheng, Da; Lu, Hailin; Sun, Xiuyun; Liu, Xiaodong; Han, Weiqing; Wang, Lianjun

    2013-01-01

    Highlights: • The reaction mechanism was different if the molar ratio of C/CaSO 4 was different. • The yield of CaO rises with an increase in temperature. • The optimal ratio of C/CaSO 4 = 1.2:1. • The decomposition process is mainly apparent solid–solid reaction with liquid-phase involved. - Abstract: The process of decomposition reaction between flue gas desulfurization (FGD) gypsum and anthracite is complex, which depends on the reaction conditions and atmosphere. In this study, thermogravimetric analysis with Fourier transform infrared spectroscopy (TGA-FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM) and the experiment in a tubular reactor were used to characterize the decomposition reaction in a nitrogen atmosphere under different conditions. The reaction mechanism analysis showed that the decomposition reaction process and mechanism were different when the molar proportion of C/CaSO 4 was changed. The experiment results showed that appropriate increase in the C/CaSO 4 proportion and higher temperatures were suitable for the formation of the main production of CaO, which can help us to understand the solid state reaction mechanism better. Via kinetic analysis of the reaction between anthracite and FGD gypsum under the optimal molar ratio of C/CaSO 4 , the mechanism model of the reaction was confirmed and the decomposition process was a two-step reaction which was in accordance with apparent solid–solid reaction

  10. 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})

  11. 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.

  12. 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.)

  13. 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

  14. Thermal Decomposition of Methane. Bibliographic Study and Proposal of a Mechanism Décomposition thermique du méthane. Étude bibliographique. Proposition de mécanisme

    Directory of Open Access Journals (Sweden)

    Billaud F.

    2006-11-01

    Full Text Available This review article gives the state-of-the-art of the upgrading of methane by the purely thermal route. It sums up the principal research since 1960 by giving, for each project, the operating conditions, type of reactor and the main results (order, inhibition of the reaction. It also comments on the reactions and the elementary processes written as well as the contribution of new kinetic constants. It emphasizes the effects of temperature, of dilution by inert gases, by hydrogen, by ethane and by water as well as the wall effects. After analyzing a great many publications dealing with the thermal decomposition of methane, this article attempts to give a mechanism and the major stages for which there seems to be a consensus among different authors and that account for the formation of hydrogen, ethane, ethylene, propene and acetylene. This mechanism can be broken down as follows :(a Primary formation of ethane and hydrogen. (b Secondary reactions of ethane. (c Secondary reactions of ethylene. (d Secondary reactions of acetylene. (e Secondary reactions of propene. This mechanism has also made possible the excellent simulation of the formation of all the above-mentioned products. However, concerning the formation of liquid hydrocarbons and coke, there is no coherent mechanism capable of simulating their formation. Cet article de revue fait le point sur la valorisation du méthane par voie purement thermique. Nous avons résumé les principaux travaux depuis 1960 en présentant pour chaque étude les différentes conditions opératoires, le type de réacteur, les principaux résultats (ordre, inhibition de la réaction. Nous avons également commenté les réactions et processus élémentaires écrits ainsi que l'apport de nouvelles constantes cinétiques. Nous soulignons également les effets de la température, de la dilution par des gaz inertes, par l'hydrogène, par l'éthane et par l'eau ainsi que les effets de parois. Après analyse du grand

  15. 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.

  16. 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.

  17. 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

  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. 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. 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.

  1. 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.

  2. Radiolysis of lignin: Prospective mechanism of high-temperature decomposition

    Science.gov (United States)

    Ponomarev, A. V.

    2017-12-01

    The range of the radiation-thermal processes resulting in conversion of lignin into monomeric phenols is considered. Statistically the most probable places of macromolecule ionization are aromatic units. Release of phenolic products from a lignin macromolecule is the multistage process beginning via fragmentation of primary cation-radicals. Reactions of electrons and small radicals with macromolecules, also as degradation of cation-radicals, result in formation of phenoxyl radicals. Macroradicals possess lower heat stability in comparison with macromolecules. Thermal decomposition of macroradicals leads to release of monohydric and dihydric phenols. The probability of benzenediols formation increases in the presence of alkanes. As noted, partial transformation of lignin into charcoal is inevitable.

  3. 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

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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)

  11. 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)

  12. 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.)

  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 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...

  15. Molecular Mechanisms in the shock induced decomposition of FOX-7

    Science.gov (United States)

    Mishra, Ankit; Tiwari, Subodh C.; Nakano, Aiichiro; Vashishta, Priya; Kalia, Rajiv; CACS Team

    Experimental and first principle computational studies on FOX 7 have either involved a very small system consisting of a few atoms or they did not take into account the decomposition mechanisms under extreme conditions of temperature and pressure. We have performed a large-scale reactive MD simulation using ReaxFF-lg force field to study the shock decomposition of FOX 7. The chemical composition of the principal decomposition products correlates well with experimental observations. Furthermore, we observed that the production of N2 and H2O was inter molecular in nature and was through different chemical pathways. Moreover, the production of CO and CO2 was delayed due to production of large stable C,O atoms cluster. These critical insights into the initial processes involved in the shock induced decomposition of FOX-7 will greatly help in understanding the factors playing an important role in the insensitiveness of this high energy material. This research is supported by AFOSR Award No. FA9550-16-1-0042.

  16. 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.

  17. Decomposition mechanisms and non-isothermal kinetics of LiHC_2O_4·H_2O

    Institute of Scientific and Technical Information of China (English)

    2012-01-01

    The thermal decomposition process of LiHC2O4·H2O from 30 to 600 ℃ was investigated by the thermogravimetric and differential scanning calorimetry (TG-DSC). The phases decomposited at different temperature were characterized by X-ray diffraction (XRD), which indicated the decompositions at 150, 170, and 420℃, relating to LiHC2O4, Li2C2O4, Li2C2O4, and Li2CO3, respectively. Reaction mechanisms in the whole sintering process were determined, and the model fitting kinetic approaches were applied to data for non...

  18. 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...

  19. 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.

  20. 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

  1. 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

  2. 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.)

  3. 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...

  4. 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.

  5. 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.

  6. 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.

  7. 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...

  8. 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.

  9. 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.

  10. 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.

  11. 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.)

  12. 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

  13. 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.

  14. 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.)

  15. 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

  16. Thermal decomposition of natural polysaccharides: Chitin and chitosan

    Directory of Open Access Journals (Sweden)

    Kuchina Yu.A.

    2015-03-01

    Full Text Available The results of the thermal analysis of shrimp’s chitin and chitosan have been presented (samples of polysaccharide differed by the deacetylation degree have been studied. The thermal analysis has been carried out by differential thermogravimetry and differential scanning calorimetry. Activation energy of process of chitin and chitosan thermal destruction has been calculated

  17. 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

  18. 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.

  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. 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)

  1. 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.

  2. Thermal mixtures in stochastic mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Guerra, F [Rome Univ. (Italy). Ist. di Matematica; Loffredo, M I [Salerno Univ. (Italy). Ist. di Fisica

    1981-01-17

    Stochastic mechanics is extended to systems in thermal equilibrium. The resulting stochastic processes are mixtures of Nelson processes. Their Markov property is investigated in some simple cases. It is found that in order to inforce Markov property the algebra of observable associated to the present must be suitably enlarged.

  3. 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)

  4. Thermal decomposition of Yttrium(III) isovalerate in argon

    DEFF Research Database (Denmark)

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

    2016-01-01

    The thermal behaviour of yttrium(III) isovalerate (Y(C4H9CO2)3) was studied in argon by means of thermogravimetry, differential thermal analysis, FTIR-spectroscopy, hot-stage optical microscopy and X-ray diffraction with a laboratory Cu-tube source as well as with a synchrotron radiation source...

  5. 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

  6. Temperature sensitivity and enzymatic mechanisms of soil organic matter decomposition along an altitudinal gradient on Mount Kilimanjaro

    Science.gov (United States)

    Blagodatskaya, Еvgenia; Blagodatsky, Sergey; Khomyakov, Nikita; Myachina, Olga; Kuzyakov, Yakov

    2016-02-01

    Short-term acceleration of soil organic matter decomposition by increasing temperature conflicts with the thermal adaptation observed in long-term studies. Here we used the altitudinal gradient on Mt. Kilimanjaro to demonstrate the mechanisms of thermal adaptation of extra- and intracellular enzymes that hydrolyze cellulose, chitin and phytate and oxidize monomers (14C-glucose) in warm- and cold-climate soils. We revealed that no response of decomposition rate to temperature occurs because of a cancelling effect consisting in an increase in half-saturation constants (Km), which counteracts the increase in maximal reaction rates (Vmax with temperature). We used the parameters of enzyme kinetics to predict thresholds of substrate concentration (Scrit) below which decomposition rates will be insensitive to global warming. Increasing values of Scrit, and hence stronger canceling effects with increasing altitude on Mt. Kilimanjaro, explained the thermal adaptation of polymer decomposition. The reduction of the temperature sensitivity of Vmax along the altitudinal gradient contributed to thermal adaptation of both polymer and monomer degradation. Extrapolating the altitudinal gradient to the large-scale latitudinal gradient, these results show that the soils of cold climates with stronger and more frequent temperature variation are less sensitive to global warming than soils adapted to high temperatures.

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. Thermal decomposition of 1-chloropropane behind the reflected ...

    Indian Academy of Sciences (India)

    J. Chem. Sci. Vol. 126, No. 4, July 2014, pp. 897–909. c Indian Academy of Sciences. Thermal ... 1-Chloropropane is one such molecule, which can show adverse ... was made with dural aluminium. .... The sensitivity of the flame ionization.

  12. 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.

  13. 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.

  14. 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

  15. 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.

  16. 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

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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

  2. 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.

  3. 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)

  4. 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

  5. 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.)

  6. 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

  7. 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-...

  8. 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...

  9. 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.

  10. 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)

  11. Effect of thermal decomposition of hydroxyapatite on the thermoluminescent response

    International Nuclear Information System (INIS)

    Sandoval C, K. J.; Zarate M, J.; Lemus R, J.; Rivera M, T.

    2014-08-01

    In this work, a study on the thermoluminescence (Tl) induced by gamma radiation in synthetic hydroxyapatite (Hap) annealed at different temperatures obtained by the precipitation method is presented. Synthesis of hydroxyapatite Hap was carried out starting from inorganic precursors [Ca(NO 3 ) 2 ·4H 2 O and (NH 4 ) 2 HPO 4 ]. The precipitate was filtered, washed, dried and then the powder was calcined at different temperatures until the Hap decomposition. The structural and morphological characterization was carried out using both X-ray diffraction (XRD) and scanning electron microscopy (Sem) techniques. Thermoluminescent (Tl) properties of Hap powders were irradiated at different gamma radiation doses. According to X ray diffraction patterns, the tricalcium diphosphate phase (Tcp) appear when the Hap was calcined at 900 grades C. Tl glow curve showed two peaks located at around 200 and 300 grades C, respectively. Tl response as a function of gamma radiation dose was in a wide range from 25 to 100 Gy. The fading of the Tl response at 134 days after irradiation was measured. Experimental results showed that the synthetic hydroxyapatite obtained by precipitation technique may have dosimetric applications when is annealed at temperature of 900 grades C, where the Tcp phase appears and contributes to Tl response, which opens the possibility of using this biomaterials in the area of dosimetry, as they are generally used for biomedical implants. (author)

  12. Effect of thermal decomposition of hydroxyapatite on the thermoluminescent response

    Energy Technology Data Exchange (ETDEWEB)

    Sandoval C, K. J.; Zarate M, J.; Lemus R, J. [Universidad Michoacana de San Nicolas de Hidalgo, Instituto de Investigaciones Metalurgicas, Ciudad Universitaria, Edificio U, 58060 Morelia, Michoacan (Mexico); Rivera M, T., E-mail: karlasandovalc@gmail.com [IPN, Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada, Av. Legaria 694, Col. Irrigacion, 11500 Mexico D. F. (Mexico)

    2014-08-15

    In this work, a study on the thermoluminescence (Tl) induced by gamma radiation in synthetic hydroxyapatite (Hap) annealed at different temperatures obtained by the precipitation method is presented. Synthesis of hydroxyapatite Hap was carried out starting from inorganic precursors [Ca(NO{sub 3}){sub 2}·4H{sub 2}O and (NH{sub 4}){sub 2}HPO{sub 4}]. The precipitate was filtered, washed, dried and then the powder was calcined at different temperatures until the Hap decomposition. The structural and morphological characterization was carried out using both X-ray diffraction (XRD) and scanning electron microscopy (Sem) techniques. Thermoluminescent (Tl) properties of Hap powders were irradiated at different gamma radiation doses. According to X ray diffraction patterns, the tricalcium diphosphate phase (Tcp) appear when the Hap was calcined at 900 grades C. Tl glow curve showed two peaks located at around 200 and 300 grades C, respectively. Tl response as a function of gamma radiation dose was in a wide range from 25 to 100 Gy. The fading of the Tl response at 134 days after irradiation was measured. Experimental results showed that the synthetic hydroxyapatite obtained by precipitation technique may have dosimetric applications when is annealed at temperature of 900 grades C, where the Tcp phase appears and contributes to Tl response, which opens the possibility of using this biomaterials in the area of dosimetry, as they are generally used for biomedical implants. (author)

  13. 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.

  14. 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.

  15. Thermal decomposition of silane to form hydrogenated amorphous Si

    Science.gov (United States)

    Strongin, M.; Ghosh, A.K.; Wiesmann, H.J.; Rock, E.B.; Lutz, H.A. III

    Hydrogenated amorphous silicon is produced by thermally decomposing silane (SiH/sub 4/) or other gases comprising H and Si, at elevated temperatures of about 1700 to 2300/sup 0/C, in a vacuum of about 10/sup -8/ to 10/sup -4/ torr. A gaseous mixture is formed of atomic hydrogen and atomic silicon. The gaseous mixture is deposited onto a substrate to form hydrogenated amorphous silicon.

  16. Thermal behaviors of mechanically activated pyrites by thermogravimetry (TG)

    International Nuclear Information System (INIS)

    Hu Huiping; Chen Qiyuan; Yin Zhoulan; Zhang Pingmin

    2003-01-01

    The thermal decompositions of mechanically activated and non-activated pyrites were studied by thermogravimetry (TG) at the heating rate of 10 K min -1 in argon. Results indicate that the initial temperature of thermal decomposition (T di ) in TG curves for mechanically activated pyrites decreases gradually with increasing the grinding time. The specific granulometric surface area (S G ), the structural disorder of mechanically activated pyrites were analyzed by X-ray diffraction laser particle size analyzer, and X-ray powder diffraction analysis (XRD), respectively. The results show that the S G of mechanically activated pyrites remains almost constant after a certain grinding time, and lattice distortions (ε) rise but the crystallite sizes (D) decrease with increasing the grinding time. All these results imply that the decrease of T di in TG curves of mechanically activated pyrites is mainly caused by the increase of lattice distortions ε and the decrease of the crystallite sizes D of mechanically activated pyrite with increasing the grinding time. The differences in the reactivity between non-activated and mechanically activated pyrites were observed using characterization of the products obtained from 1 h treatment of non-activated and mechanically activated pyrites at 713 K under inert atmosphere and characterization of non-activated and mechanically activated pyrites exposed to ambient air for a certain period

  17. 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.

  18. 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.

  19. 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.

  20. 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

  1. 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.

  2. 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.

  3. NMR study of thermal decomposition of lithium tetrahydroaluminate

    International Nuclear Information System (INIS)

    Tarasov, V.P.; Bakum, S.I.; Kuznetsova, S.F.

    1997-01-01

    Pyrolysis of lithium aluminotetrahydrides and deuterides, LiAlH 4 and LiAlD 4 , was studied by 1 H, 7 Li, 27 Al NMR in 20-700 deg C range. 20-30 time constriction of resonance lines of studied nuclei at 170 deg C testifies to melting of the compounds. It is shown that at LiAlD 4 melting point the first stage of pyrolysis is described by two parallel reactions: LiAlD 4 -> LiD + Al + D 2 , LiAlD 4 + LiD -> Li 3 AlD 6 , which proceed with different rates. It was revealed that reactions of lithium hydride (deuteride) with metallic aluminium at temperatures above 400 deg C resulted to formation of intermetallic compounds of LiAl and LiAl 3 composition. LiAl is characterized by higher thermal stability, than LiAl 3 . 20 refs., 6 figs., 2 tabs

  4. 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.

  5. 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.

  6. 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

  7. 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.

  8. 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%.

  9. 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.

  10. 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

  11. Thermal depolymerization mechanisms of poly (3-hydroxybutyrate-co-3-hydroxyvalerate)

    Institute of Scientific and Technical Information of China (English)

    Hengxue Xiang; Xiaoshuang Wen; Xiaohui Miu; Yan Li; Zhe Zhou; Meifang Zhu

    2016-01-01

    Thermal degradation processes and decomposition mechanisms of poly(3-hydroxybutyrate-co-3-hydroxyvalerate) (PHBV) were investigated by using thermal gravity analysis(TGA), Gel permeation chromatography (GPC), elemental analyzer, pyrolysis-gas chromatography-mass spectrometry (PyGC-MS) and 1H nuclear magnetic resonance (1H NMR). The degradation activation energy was calculated via the dependence of residual mass on isothermal temperature. 1H NMR and PyGC-MS were used to investigate the chemical structure and component proportion of volatile gases and degradation residues which were produced by thermal decomposition, and to infer the process of macromolecular chain scission. Besides, the influence of the factors, such as outfield atmosphere, residual metal ions, on the degradation behaviors of PHBV was also studied. Finally, the PHBV thermal decomposition mechanisms were speculated on the basis of the degradation behaviors of molecular and chemical structure.

  12. 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.

  13. 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

  14. 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

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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....

  1. 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.

  2. 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.

  3. 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.

  4. Mechanisms of gas phase decomposition of C-nitro compounds from quantum chemical data

    International Nuclear Information System (INIS)

    Khrapkovskii, Grigorii M; Shamov, Alexander G; Nikolaeva, E V; Chachkov, D V

    2009-01-01

    Data on the mechanisms of gas-phase monomolecular decomposition of nitroalkanes, nitroalkenes and nitroarenes obtained using modern quantum chemical methods are described systematically. The attention is focused on the discussion of multistage decomposition of nitro compounds to elementary experimentally observed products. Characteristic features of competition of different mechanisms and the effect of molecular structure on the change in the Arrhenius parameters of the primary reaction step are considered.

  5. Mechanisms of gas phase decomposition of C-nitro compounds from quantum chemical data

    Energy Technology Data Exchange (ETDEWEB)

    Khrapkovskii, Grigorii M; Shamov, Alexander G; Nikolaeva, E V; Chachkov, D V [Kazan State Technological University, Kazan (Russian Federation)

    2009-10-31

    Data on the mechanisms of gas-phase monomolecular decomposition of nitroalkanes, nitroalkenes and nitroarenes obtained using modern quantum chemical methods are described systematically. The attention is focused on the discussion of multistage decomposition of nitro compounds to elementary experimentally observed products. Characteristic features of competition of different mechanisms and the effect of molecular structure on the change in the Arrhenius parameters of the primary reaction step are considered.

  6. 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)

  7. 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

  8. Decomposition kinetic and mechanism of syndiotactic polystyrene nanocomposites with MWCNTs and nanodiamonds studied by TGA and Py-GC/MS

    Energy Technology Data Exchange (ETDEWEB)

    Chrissafis, Konstantinos; Pavlidou, Eleni [Solid State Physics Section, Physics Department, Aristotle University of Thessaloniki, GR-541 24 Thessaloniki, Macedonia (Greece); Vouvoudi, Evangelia [Laboratory of Polymer Chemistry and Technology, Department of Chemistry, Aristotle University of Thessaloniki, GR-541 24 Thessaloniki, Macedonia (Greece); Bikiaris, Dimitrios, E-mail: dbic@chem.auth.gr [Laboratory of Polymer Chemistry and Technology, Department of Chemistry, Aristotle University of Thessaloniki, GR-541 24 Thessaloniki, Macedonia (Greece)

    2014-05-01

    Graphical abstract: - Highlights: • Syndiotactic polystyrene nanocomposites containing MWCNTs and nanodiamonds were prepared for first time. • Addition of nanofillers causes a substantial improvement of sPS thermal stability. • From EGA and Py-GC/MS, it was found that sPS decomposes through a radical process. • The decomposition mechanism of sPS was not affected by the addition of nanoparticles. - Abstract: In the present work, syndiotactic polystyrene (sPS) based nanocomposites containing 3 wt% of multi-walled carbon nanotubes (MWCNTs) and nanodiamonds (NDs) were prepared using the melt-mixing technique. Transmission electron microscopy (TEM) micrographs verified a good dispersion of the nanoparticles in the polymeric matrix, which resulted in a slight improvement of the mechanical properties of the nanocomposites. The addition of MWCNTs promotes the formation of β-type crystals while in sPS and sPS/NDs α-type crystals are mainly formed. From the thermogravimetric analysis experiments a substantial enhancement of sPS thermal stability was found, caused by the addition of nanofillers, especially from NDs. The temperature corresponding to a mass loss of 0.5% was found 295 °C for sPS, 352.4 °C for sPS-MWCNTs and 370.7 °C for sPS-NDs nanocomposites. The analytical method of Py-GC/MS was also used for further characterization of the samples. The main chain fragments collected from sPS pyrolysis were styrene monomers, dimers and trimers, while the three pyrolization temperatures applied (390, 420 and 500 °C) indicated some variations in intensity of decomposition fragments. The decomposition temperature as well as the nanoparticle addition (NDs or MWCNTs) affected the intensity of the recorded fragments but did not induce a change on the decomposition mechanism of sPS.

  9. 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.

  10. 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)

  11. 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.)

  12. 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

  13. Soft Thermal Sensor with Mechanical Adaptability.

    Science.gov (United States)

    Yang, Hui; Qi, Dianpeng; Liu, Zhiyuan; Chandran, Bevita K; Wang, Ting; Yu, Jiancan; Chen, Xiaodong

    2016-11-01

    A soft thermal sensor with mechanical adaptability is fabricated by the combination of single-wall carbon nanotubes with carboxyl groups and self-healing polymers. This study demonstrates that this soft sensor has excellent thermal response and mechanical adaptability. It shows tremendous promise for improving the service life of soft artificial-intelligence robots and protecting thermally sensitive electronics from the risk of damage by high temperature. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. 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.

  15. Fabrication of Powder Metallurgy Pure Ti Material by Using Thermal Decomposition of TiH2

    Science.gov (United States)

    Mimoto, Takanori; Nakanishi, Nozomi; Umeda, Junko; Kondoh, Katsuyoshi

    Titanium (Ti) and titanium alloys have been interested as an engineering material because they are widely used across various industrial applications, for example, motorcycle, automotive and aerospace industries, due to their light weight, high specific strength and superior corrosion resistance. Ti materials are particularly significant for the aircraft using carbon/carbon (C/C) composites, for example, carbon fiber reinforced plastics (CFRP), because Ti materials are free from the problem of contact corrosion between C/C composites. However, the applications of Ti materials are limited because of their high cost. From a viewpoint of cost reduction, cost effective process to fabricate Ti materials is strongly required. In the present study, the direct consolidation of titanium hydride (TiH2) raw powders in solid-state was employed to fabricate pure Ti bulk materials by using thermal decomposition of TiH2. In general, the production cost of Ti components is expensive due to using commercially pure (CP) Ti powders after dehydrogenation. On the other hand, the novel process using TiH2 powders as starting materials is a promising low cost approach for powder metallurgy (P/M) Ti products. Furthermore, this new process is also attractive from a viewpoint of energy saving because the dehydrogenation is integrated into the sintering process. In this study, TiH2 raw powders were directly consolidated by conventional press technique at 600 MPa to prepare TiH2 powder compacted billets. To thermally decompose TiH2 and obtain sintered pure Ti billets, the TiH2 powder billets were heated in the integrated sintering process including dehydrogenation. The hot-extruded pure Ti material, which was heat treated at 1273 K for 180 min in argon gas atmosphere, showed tensile strength of 701.8 MPa and elongation of 27.1%. These tensile properties satisfied the requirements for JIS Ti Grade 4. The relationship between microstructures, mechanical properties response and heat treatment

  16. 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.)

  17. 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)

  18. 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)

  19. 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.

  20. 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.

  1. 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.

  2. 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

  3. 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).

  4. 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

  5. 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...

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. 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...

  16. 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

  17. New mechanism for autocatalytic decomposition of H2CO3 in the vapor phase.

    Science.gov (United States)

    Ghoshal, Sourav; Hazra, Montu K

    2014-04-03

    In this article, we present high level ab initio calculations investigating the energetics of a new autocatalytic decomposition mechanism for carbonic acid (H2CO3) in the vapor phase. The calculation have been performed at the MP2 level of theory in conjunction with aug-cc-pVDZ, aug-cc-pVTZ, and 6-311++G(3df,3pd) basis sets as well as at the CCSD(T)/aug-cc-pVTZ level. The present study suggests that this new decomposition mechanism is effectively a near-barrierless process at room temperature and makes vapor phase of H2CO3 unstable even in the absence of water molecules. Our calculation at the MP2/aug-cc-pVTZ level predicts that the effective barrier, defined as the difference between the zero-point vibrational energy (ZPE) corrected energy of the transition state and the total energy of the isolated starting reactants in terms of bimolecular encounters, is nearly zero for the autocatalytic decomposition mechanism. The results at the CCSD(T)/aug-cc-pVTZ level of calculations suggest that the effective barrier, as defined above, is sensitive to some extent to the levels of calculations used, nevertheless, we find that the effective barrier height predicted at the CCSD(T)/aug-cc-pVTZ level is very small or in other words the autocatalytic decomposition mechanism presented in this work is a near-barrierless process as mentioned above. Thus, we suggest that this new autocatalytic decomposition mechanism has to be considered as the primary mechanism for the decomposition of carbonic acid, especially at its source, where the vapor phase concentration of H2CO3 molecules reaches its highest levels.

  18. 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...

  19. On anodic stability and decomposition mechanism of sulfolane in high-voltage lithium ion battery

    International Nuclear Information System (INIS)

    Xing, Lidan; Tu, Wenqiang; Vatamanu, Jenel; Liu, Qifeng; Huang, Wenna; Wang, Yating; Zhou, Hebing; Zeng, Ronghua; Li, Weishan

    2014-01-01

    Graphical abstract: - Highlights: • Influence of lithium salts on the anodic stability of sulfolane has been investigated. • Oxidation decomposition mechanisms of LiPF 6 /Sulfolane electrolyte have been well understood by theoretical and experimental methods. • Decomposition products of the electrolyte can be found on the electrode surface and in the interfacial electrolyte. - Abstract: In this work, we investigated the anodic stability and decomposition mechanism of sulfolane (SL). The anodic stability of SL-based electrolyte with different lithium salts on Pt and LiNi 0.5 Mn 1.5 O 4 electrodes was found to decrease as follows: LiPF 6 /SL > LiBF 4 /SL > LiClO 4 /SL. The oxidation potential of 1M LiPF 6 /SL electrolyte on both Pt and electrodes is about 5.0V vs Li/Li + . The presence of PF 6 - and another SL solvent dramatically alters the decomposition mechanism of SL. Oxidation decomposition of SL-SL cluster is the most favorable reaction in LiPF 6 /SL electrolyte. The dimer products with S-O-R group were detected by IR spectra on the charged LiNi 0.5 Mn 1.5 O 4 electrode surface and in the electrolyte near the electrode surface, and were found to increase the interfacial reaction resistance of the LiNi 0.5 Mn 1.5 O 4 electrode

  20. Statistical mechanics of microscopically thin thermalized shells

    Science.gov (United States)

    Kosmrlj, Andrej

    Recent explosion in fabrication of microscopically thin free standing structures made from graphene and other two-dimensional materials has led to a renewed interest in the mechanics of such structures in presence of thermal fluctuations. Since late 1980s it has been known that for flat solid sheets thermal fluctuations effectively increase the bending rigidity and reduce the bulk and shear moduli in a scale-dependent fashion. However, much is still unknown about the mechanics of thermalized flat sheets of complex geometries and about the mechanics of thermalized shells with non-zero background curvature. In this talk I will present recent development in the mechanics of thermalized ribbons, spherical shells and cylindrical tubes. Long ribbons are found to behave like hybrids between flat sheets with renormalized elastic constants and semi-flexible polymers, and these results can be used to predict the mechanics of graphene kirigami structures. Contrary to the anticipated behavior for ribbons, the non-zero background curvature of shells leads to remarkable novel phenomena. In shells, thermal fluctuations effectively generate negative surface tension, which can significantly reduce the critical buckling pressure for spherical shells and the critical axial load for cylindrical tubes. For large shells this thermally generated load becomes big enough to spontaneously crush spherical shells and cylindrical tubes even in the absence of external loads. I will comment on the relevance for crushing of microscopic shells (viral capsids, bacteria, microcapsules) due to osmotic shocks and for crushing of nanotubes.

  1. Waste energy harvesting mechanical and thermal energies

    CERN Document Server

    Ling Bing, Kong; Hng, Huey Hoon; Boey, Freddy; Zhang, Tianshu

    2014-01-01

    Waste Energy Harvesting overviews the latest progress in waste energy harvesting technologies, with specific focusing on waste thermal mechanical energies. Thermal energy harvesting technologies include thermoelectric effect, storage through phase change materials and pyroelectric effect. Waste mechanical energy harvesting technologies include piezoelectric (ferroelectric) effect with ferroelectric materials and nanogenerators. The book aims to strengthen the syllabus in energy, materials and physics and is well suitable for students and professionals in the fields.

  2. 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.

  3. Failure mechanism for thermal fatigue of thermal barrier coating systems

    Energy Technology Data Exchange (ETDEWEB)

    Giolli, C.; Scrivani, A.; Rizzi, G. [Turbocoating S.p.A., Rubbiano di Solignano (Italy); Borgioli, F. [Firenze Univ., Sesto Fiorentino (Italy); Bolelli, G.; Lusvarghi, L. [Univ. di Modena e Reggio Emilia, Modena (Italy)

    2008-07-01

    High temperature thermal fatigue causes the failure of Thermal Barrier Coating (TBC) systems. Due to the difference in thickness and microstructure between thick TBCs and traditional thin TBCs, they cannot be assumed a-priori to possess the same failure mechanisms. Thick TBCs, consisting of a CoNiCrAlY bond coat and Yttria Partially Stabilised Zirconia top coat with different values of porosity, were produced by Air Plasma Spray. Thermal fatigue resistance limit of TBCs was tested by Furnace Cycling Tests (FCT) according to the specifications of an Original Equipment Manufacturer (OEM). TBC systems were analyzed before and after FCT. The morphological and chemical evolution of CoNiCrAlY/TGO microstructure was studied. Sintering effect, residual stress, phase transformation and fracture toughness were evaluated in the ceramic Top Coat. All the tested samples passed FCT according to the specification of an important OEM. Thermal fatigue resistance increases with the amount of porosity in the top coat. The compressive in-plane stresses increase in the TBC systems after thermal cycling, nevertheless the increasing rate has a trend contrary to the porosity level of top coat. The data suggest that the spallation happens at the TGO/Top Coat interface. The failure mechanism of thick TBCs subjected to thermal fatigue was eventually found to be similar to the failure mechanism of thin TBC systems made by APS. (orig.)

  4. Thermal runaway reaction hazards and mechanisms of hydroxylamine with acid/base contaminants

    International Nuclear Information System (INIS)

    Wei Chunyang; Saraf, Sanjeev R.; Rogers, William J.; Sam Mannan, M.

    2004-01-01

    Hydroxylamine (HA) has been involved in two incidents since 1999 because of its thermal instability and incompatibility. In this study, thermal runaway reactions of hydroxylamine with various concentrations of KOH and HCl were studied using the reactive system screening tool (RSST) and automatic pressure tracking adiabatic calorimeter (APTAC). The thermokinetic data, such as onset temperature, heat of reaction, maximum self-heat rate, maximum pressure rate, and non-condensable gas pressure, were compared with those of hydroxylamine solution without added impurity. Our study shows that the thermal decomposition behavior of hydroxylamine is affected by the presence of acid/base, and mixing of hydroxylamine with acid/base may cause thermal decomposition at lower temperatures. Different decomposition pathways can be initiated by hydrogen ion and hydroxide ion. The decomposition mechanisms of hydroxylamine in alkaline and acidic solutions are proposed based on the products, information from the literature, and quantum mechanical calculations. The experimental results are discussed in terms of the proposed reaction mechanisms

  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. Degradation mechanism and thermal stability of urea nitrate below the melting point

    International Nuclear Information System (INIS)

    Desilets, Sylvain; Brousseau, Patrick; Chamberland, Daniel; Singh, Shanti; Feng, Hongtu; Turcotte, Richard; Anderson, John

    2011-01-01

    Highlights: → Decomposition mechanism of urea nitrate. → Spectral characterization of the decomposition mechanism. → Thermal stability of urea nitrate at 50, 70 and 100 o C. → Chemical balance of decomposed products released. - Abstract: Aging and degradation of urea nitrate below the melting point, at 100 o C, was studied by using thermal analysis and spectroscopic methods including IR, Raman, 1 H and 13 C NMR techniques. It was found that urea nitrate was completely degraded after 72 h at 100 o C into a mixture of solids (69%) and released gaseous species (31%). The degradation mechanism below the melting point was clearly identified. The remaining solid mixture was composed of ammonium nitrate, urea and biuret while unreacted residual nitric and isocyanic acids as well as traces of ammonia were released as gaseous species at 100 o C. The thermal stability of urea nitrate, under extreme storage conditions (50 o C), was also examined by isothermal nano-calorimetry.

  7. Spinodal decomposition mechanism study on the duplex stainless steel UNS S31803 using ultrasonic speed measurements

    International Nuclear Information System (INIS)

    Albuquerque, Victor Hugo C. de; Macedo Silva, Edgard de; Pereira Leite, Josinaldo; Pindo de Moura, Elineudo; Araujo Freitas, Vera Lucia de; Tavares, Joao Manuel R.S.

    2010-01-01

    This work, focuses on the spinodal decomposition mechanism study on the duplex stainless steel duplex UNS S31803, composed by austenite (γ) and ferrite (α) phases, at 425 o C and 475 o C temperatures by ultrasonic speed measurements. This temperature range is responsible for the transformation mechanism of α initial phase to α phases (poor in chromium) and α' (rich in chromium) by spinodal decomposition. The techniques to accomplish this analysis are based mainly on X-ray diffraction measures and ultrasonic speed. The obtained results show that it is possible to conclude that the use of ultrasonic speed measurements indicates a promising technique for following-up the phase transformation and spinodal decomposition on the steel studied.

  8. Causal mechanisms of soil organic matter decomposition: Deconstructing salinity and flooding impacts in coastal wetlands

    Science.gov (United States)

    Stagg, Camille L.; Schoolmaster, Donald; Krauss, Ken W.; Cormier, Nicole; Conner, William H.

    2017-01-01

    Coastal wetlands significantly contribute to global carbon storage potential. Sea-level rise and other climate change-induced disturbances threaten coastal wetland sustainability and carbon storage capacity. It is critical that we understand the mechanisms controlling wetland carbon loss so that we can predict and manage these resources in anticipation of climate change. However, our current understanding of the mechanisms that control soil organic matter decomposition, in particular the impacts of elevated salinity, are limited, and literature reports are contradictory. In an attempt to improve our understanding of these complex processes, we measured root and rhizome decomposition and developed a causal model to identify and quantify the mechanisms that influence soil organic matter decomposition in coastal wetlands that are impacted by sea-level rise. We identified three causal pathways: 1) a direct pathway representing the effects of flooding on soil moisture, 2) a direct pathway representing the effects of salinity on decomposer microbial communities and soil biogeochemistry, and 3) an indirect pathway representing the effects of salinity on litter quality through changes in plant community composition over time. We used this model to test the effects of alternate scenarios on the response of tidal freshwater forested wetlands and oligohaline marshes to short- and long-term climate-induced disturbances of flooding and salinity. In tidal freshwater forested wetlands, the model predicted less decomposition in response to drought, hurricane salinity pulsing, and long-term sea-level rise. In contrast, in the oligohaline marsh, the model predicted no change in response to sea-level rise, and increased decomposition following a drought or a hurricane salinity pulse. Our results show that it is critical to consider the temporal scale of disturbance and the magnitude of exposure when assessing the effects of salinity intrusion on carbon mineralization in coastal

  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. 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.

  11. 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

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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

  17. 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

  18. 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.

  19. 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

  20. 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.

  1. 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).

  2. 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.

  3. 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)

  4. 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)

  5. Surface tungsten reduction during thermal decomposition of ammonium paratungstate tetrahydrate in oxidising atmosphere: A paradox?

    International Nuclear Information System (INIS)

    Fait, Martin J.G.; Radnik, Jörg; Lunk, Hans-Joachim

    2016-01-01

    Highlights: • Detection of reduced tungsten ions at the solid’s surface in oxidising atmosphere. • Detection of gaseous ammonia liberated as oxidising agent. • Detection of ammonia’s oxidation products. • Quantification of the ammonia/tungsten redox process. - Abstract: The interaction of ammonia, liberated during thermal decomposition of ammonium paratungstate tetrahydrate in oxidising atmosphere, with tungsten has been studied employing a conventional microbalance combined with MS (Setaram’s instrument Sensys). Applying XPS a partial reduction of tungsten at the surface with the minimal tungsten oxidation number of +5.3 for a sample generated at 293 °C was detected. The balancing oxidation of ammonia to nitrogen/nitrogen oxides has been proven by MS. An amount of 0.049 mol e"− per mol W was transferred which resulted in an ammonia conversion degree from 2.1 mol% (NO_2 formation) to 3.0 mol% (N_2 formation).

  6. 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)

  7. 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)

  8. 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.

  9. Preparation, mechanical strengths, and thermal

    Science.gov (United States)

    Inoue, A.; Furukawa, S.; Hagiwara, M.; Masumoto, T.

    1987-05-01

    Ni-based amorphous wires with good bending ductility have been prepared for Ni75Si8B17 and Ni78P12B10 alloys containing 1 to 2 at. pct Al or Zr by melt spinning in rotating water. The enhancement of the wire-formation tendency by the addition of Al has been clarified to be due to the increase in the stability of the melt jet through the formation of a thin A12O3 film on the outer surface. The maximum wire diameter is about 190 to 200 μm for the Ni-Si (or P)-B-Al alloys and increases to about 250 μm for the Ni-Si-B-Al-Cr alloys containing 4 to 6 at. pct Cr. The tensile fracture strength and fracture elongation are 2730 MPa and 2.9 pct for (Ni0.75Si0.08B0.17 99Al1) wire and 2170 MPa and 2.4 pct for (Ni0.78P0.12B0.1)99Al1 wire. These wires exhibit a fatigue limit under dynamic bending strain in air with a relative humidity of 65 pct; this limit is 0.50 pct for a Ni-Si-B-Al wire, which is higher by 0.15 pct than that of a Fe75Si10B15 amorphous wire. Furthermore, the Ni-base wires do not fracture during a 180-deg bending even for a sample annealed at temperatures just below the crystallization temperature, in sharp contrast to high embrittlement tendency for Fe-base amorphous alloys. Thus, the Ni-based amorphous wires have been shown to be an attractive material similar to Fe- and Co-based amorphous wires because of its high static and dynamic strength, high ductility, high stability to thermal embrittlement, and good corrosion resistance.

  10. 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.

  11. 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

  12. 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.

  13. 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

  14. 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

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.)

  1. 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}.

  2. Thermal unimolecular decomposition of bicyclopropyl and deuterated analogues: infrared photoactivation as a diagnostic tool in mechanistic organic chemistry

    International Nuclear Information System (INIS)

    Farneth, W.E.; Thomsen, M.W.

    1982-01-01

    The infrared photochemistry of bicyclopropyl yields product mixtures that are not easily rationalized on the basis of the mechanistic scheme suggested by previous pyrolysis work. As a result of this inconsistency the thermal chemistry of bicyclopropyl and analogues deuterated specifically on one ring has been reexamined. A significant new reaction channel involving the chemically activated decomposition of cyclohexene to ethylene and butadiene has been demonstrated. Evidence for the involvement of chemically activated cyclohexene is as follows: (1) isotopic labeling studies implying a symmetric intermediate, (2) a pressure-dependent ratio of cyclohexene to butadiene and ethylene, (3) good agreement between experimental and calculated values for the unimolecular rate constant for retro-Diels-Alder decay of ''hot'' cyclohexene. A comprehensive mechanism for the unimolecular decay of bicyclopropyl is proposed. The important elements of this mechanism are a single first-formed 1,3 biradical common to all products and the intervention of chemical activation in the generation of several of the secondary products

  3. Thermal integrity in mechanics and engineering

    CERN Document Server

    Shorr, Boris F

    2015-01-01

    The book is targeted at engineers, university lecturers, postgraduates, and final year undergraduate students involved in computational modelling and experimental and theoretical analysis of the high-temperature behavior of engineering structures. It will also be of interest to researchers developing the thermal strength theory as a branch of continuum mechanics. Thermal integrity is a multidisciplinary field combining the expertise of mechanical engineers, material scientists and applied mathematicians, each approaching the problem from their specific viewpoint. This monograph draws on the research of a broad scientific community including the author’s contribution. The scope of thermal strength analysis was considerably extended thanks to modern computers and the implementation of FEM codes. However, the author believes that some material models adopted in the advanced high-performance software, are not sufficiently justificated due to lack of easy-to-follow books on the theoretical and experimental aspec...

  4. 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

  5. Thermal hydraulics and mechanics core design programs

    International Nuclear Information System (INIS)

    Heinecke, J.

    1992-10-01

    The report documents the work performed within the Research and Development Task T hermal hydraulics and mechanics core design programs , funded by the German government. It contains the development of new codes, the extension of existing codes, the qualification and verification of codes and the development of a code library. The overall goal of this work was to adapt the system of thermal hydraulics and mechanics codes to the permanently growing requirements of the status of science and technology

  6. Thermal Degradation Mechanism of a Thermostable Polyester Stabilized with an Open-Cage Oligomeric Silsesquioxane

    Directory of Open Access Journals (Sweden)

    Yolanda Bautista

    2017-12-01

    Full Text Available A polyester composite was prepared through the polymerization of an unsaturated ester resin with styrene and an open-cage oligomeric silsesquioxane with methacrylate groups. The effect of the open-cage oligomeric silsesquioxane on the thermal stability of the thermostable polyester was studied using both thermogravimetric analysis and differential thermal analysis. The results showed that the methacryl oligomeric silsesquioxane improved the thermal stability of the polyester. The decomposition mechanism of the polyester/oligomer silsesquioxane composite was proposed by Fourier transform infrared spectroscopy (FTIR analysis of the volatiles.

  7. 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.

  8. 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.

  9. 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.

  10. Resonance-Based Sparse Signal Decomposition and its Application in Mechanical Fault Diagnosis: A Review.

    Science.gov (United States)

    Huang, Wentao; Sun, Hongjian; Wang, Weijie

    2017-06-03

    Mechanical equipment is the heart of industry. For this reason, mechanical fault diagnosis has drawn considerable attention. In terms of the rich information hidden in fault vibration signals, the processing and analysis techniques of vibration signals have become a crucial research issue in the field of mechanical fault diagnosis. Based on the theory of sparse decomposition, Selesnick proposed a novel nonlinear signal processing method: resonance-based sparse signal decomposition (RSSD). Since being put forward, RSSD has become widely recognized, and many RSSD-based methods have been developed to guide mechanical fault diagnosis. This paper attempts to summarize and review the theoretical developments and application advances of RSSD in mechanical fault diagnosis, and to provide a more comprehensive reference for those interested in RSSD and mechanical fault diagnosis. Followed by a brief introduction of RSSD's theoretical foundation, based on different optimization directions, applications of RSSD in mechanical fault diagnosis are categorized into five aspects: original RSSD, parameter optimized RSSD, subband optimized RSSD, integrated optimized RSSD, and RSSD combined with other methods. On this basis, outstanding issues in current RSSD study are also pointed out, as well as corresponding instructional solutions. We hope this review will provide an insightful reference for researchers and readers who are interested in RSSD and mechanical fault diagnosis.

  11. 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.

  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. 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.

  15. 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

  16. Decomposition mechanism of formic acid on Cu (111) surface: A theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Zhao, E-mail: jiangzhao@mail.xjtu.edu.cn; Qin, Pei; Fang, Tao

    2017-02-28

    Highlights: • Adsorption and decomposition mechanism of HCOOH on Cu (111) were investigated using DFT calculations. • The stable co-adsorption configurations of related intermediates were identified. • Five dissociation pathways of HCOOH via initial H−O, C−H and C−O bond scissions were considered and analyzed. - Abstract: The study of formic acid decomposition on transition metal surfaces is important to obtain useful information for vapor phase catalysis involving HCOOH and for the development of direct formic acid fuel cells. In this study, periodic density functional theory calculations have been employed to investigate the dissociation pathways of HCOOH on Cu (111) surface. About adsorption, it is found that the adsorption of HCOO, COOH, HCO, CO, OH and H on Cu (111) are considered chemisorption, whereas HCOOH, CO{sub 2}, H{sub 2}O and H{sub 2} have the weak interaction with Cu (111) surface. Furthermore, the minimum energy pathways are analyzed for the decomposition of HCOOH to CO{sub 2} and CO through the scission of H−O, C−H and C−O bonds. It is found that HCOOH, HCOO and COOH prefer to dissociate in the related reactions rather than desorb. For the decomposition, it is indicated that HCO and COOH are the main dissociated intermediates of trans-HCOOH, CO{sub 2} is the main dissociated intermediates of bidentate-HCOO, and CO is the main dissociated product of cis-COOH. The co-adsorbed H atom is beneficial for the formation of CO{sub 2} from cis-COOH. Besides, it is found that the most favorable path for HCOOH decomposition on Cu (111) surface is HCOOH-HCO-CO (Path 5), where the step of CO formation from HCO dehydrogenation is considered to be the rate-determining step. The results also show that CO is preferentially formed as the dominant product of HCOOH on Cu (111) surface.

  17. Thermal decomposition behavior of potassium and sodium jarosite synthesized in the presence of methylamine and alanine

    Energy Technology Data Exchange (ETDEWEB)

    J. Michelle Kotler; Nancy W. Hinman; C. Doc Richardson; Jill R. Scott

    2010-10-01

    Biomolecules, methylamine and alanine, found associated with natural jarosite samples peaked the interest of astrobiologists and planetary geologists. How the biomolecules are associated with jarosite remains unclear although the mechanism could be important for detecting biosignatures in the rock record on Earth and other planets. A series of thermal gravimetric experiments using synthetic K-jarosite and Na-jarosite were conducted to determine if thermal analysis could differentiate physical mixtures of alanine and methylamine with jarosite from samples where the methylamine or alanine was incorporated into the synthesis procedure. Physical mixtures and synthetic experiments with methylamine and alanine could be differentiated from one another and from the standards by thermal analysis for both the K-jarosite and Na-jarosite end-member suites. Changes included shifts in on-set temperatures, total temperature changes from on-set to final, and the presence of indicator peaks for methylamine and alanine in the physical mixture experiments.

  18. Thermal decomposition of dimethoxymethane and dimethyl carbonate catalyzed by solid acids and bases

    International Nuclear Information System (INIS)

    Fu Yuchuan; Zhu Haiyan; Shen Jianyi

    2005-01-01

    The thermal decomposition of dimethoxymethane (DMM) and dimethyl carbonate (DMC) on MgO, H-ZSM-5, SiO 2 , γ-Al 2 O 3 and ZnO was studied using a fixed bed isothermal reactor equipped with an online gas chromatograph. It was found that DMM was stable on MgO at temperatures up to 623 K, while it was decomposed over the acidic H-ZSM-5 with 99% conversion at 423 K. On the other hand, DMC was easily decomposed on the strong solid base and acid. The conversion of DMC was 76% on MgO at 473 K, and 98% on H-ZSM-5 at 423 K. It was even easier decomposed on the amphoteric γ-Al 2 O 3 . Both DMM and DMC were relatively stable on SiO 2 possessing little surface acidity and basicity. They were even more stable on ZnO with the conversion of DMM and DMC of about 1.5% at 573 K. Thus, metal oxides with either strong acidity or basicity are not suitable for the selective oxidation of DMM to DMC, while ZnO may be used as a component for the reaction

  19. 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)

  20. Thermal decomposition synthesis of nanorods bismuth sulphide from bismuth N-ethyl cyclohexyl dithiocarbamate complex

    International Nuclear Information System (INIS)

    Abdullah, Nurul Hidayah; Zainal, Zulkarnain; Silong, Sidik; Tahir, Mohamed Ibrahim Mohamed; Tan, Kar-Ban; Chang, Sook-Keng

    2016-01-01

    Highlights: • Bismuth N-ethyl cyclohexyl dithiocarbamate was used as single source precursor. • No surfactant was used in the preparation of Bi_2S_3 nanorods. • Pure phase orthorhombic Bi_2S_3 is obtained. • Bismuth sulphide with an average atomic ratio of Bi:S close to 2:3 is obtained. - Abstract: Nanorods of bismuth sulphide were prepared by thermal decomposition of bismuth N-ethyl cyclohexyl dithiocarbamate at different calcination duration. X-ray diffraction (XRD) analysis shows that at 400 °C, the precursor was fully decomposed to orthorhombic bismuth sulphide after 2 h of calcination. Besides, calcination duration does not affect the existence of Bi_2S_3 phase. Field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM) analyses reveal that Bi_2S_3 nanorods with an average width ranging from 29–36 nm were obtained. Energy dispersive X-ray (EDX) analysis confirmed the atomic ratio of Bi and S close to 2:3, giving a possible composition of Bi_2S_3. Direct band gap energy of Bi_2S_3 decreases from 1.83 eV to 1.54 eV as calcination time increases.

  1. Thermoanalytical studies of carbamazepine: hydration/dehydration, thermal decomposition, and solid phase transitions

    Directory of Open Access Journals (Sweden)

    Mônia Aparecida Lemos Pinto

    2014-12-01

    Full Text Available Carbamazepine (CBZ, a widely used anticonvulsant drug, can crystallize and exhibits four polymorphic forms and one dihydrate. Anhydrous CBZ can spontaneously absorb water and convert to the hydrate form whose different crystallinity leads to lower biological activity. The present study was concerned to the possibility of recovering the hydrated form by heating. The thermal behavior of spontaneously hydrated carbamazepine was investigated by TG/DTG-DTA and DSC in dynamic atmospheres of air and nitrogen, which revealed that the spontaneous hydration of this pharmaceutical resulted in a Form III hydrate with 1.5 water molecules. After dehydration, this anhydrous Form III converted to Form I, which melted and decomposed in a single event, releasing isocyanic acid, as shown by evolved gas analysis using TG-FTIR. Differential scanning calorimetry analyses revealed that Form III melted and crystallized as Form I, and that subsequent cooling cycles only generated Form I by crystallization. Solid state decomposition kinetic studies showed that there was no change in the substance after the elimination of water by heating to 120 °C. Activation energies of 98 ± 2 and 93 ± 2 kJ mol-1 were found for the hydrated and dried samples, respectively, and similar profiles of activation energy as a function of conversion factor were observed for these samples.

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  3. Surface tungsten reduction during thermal decomposition of ammonium paratungstate tetrahydrate in oxidising atmosphere: A paradox?

    Energy Technology Data Exchange (ETDEWEB)

    Fait, Martin J.G., E-mail: martin.fait@catalysis.de [Leibniz-Institut für Katalyse e.V., Albert-Einstein-Strasse 29a, 18059 Rostock (Germany); Radnik, Jörg [Leibniz-Institut für Katalyse e.V., Albert-Einstein-Strasse 29a, 18059 Rostock (Germany); Lunk, Hans-Joachim [2858 Lake RD, Towanda, PA 18848 (United States)

    2016-06-10

    Highlights: • Detection of reduced tungsten ions at the solid’s surface in oxidising atmosphere. • Detection of gaseous ammonia liberated as oxidising agent. • Detection of ammonia’s oxidation products. • Quantification of the ammonia/tungsten redox process. - Abstract: The interaction of ammonia, liberated during thermal decomposition of ammonium paratungstate tetrahydrate in oxidising atmosphere, with tungsten has been studied employing a conventional microbalance combined with MS (Setaram’s instrument Sensys). Applying XPS a partial reduction of tungsten at the surface with the minimal tungsten oxidation number of +5.3 for a sample generated at 293 °C was detected. The balancing oxidation of ammonia to nitrogen/nitrogen oxides has been proven by MS. An amount of 0.049 mol e{sup −} per mol W was transferred which resulted in an ammonia conversion degree from 2.1 mol% (NO{sub 2} formation) to 3.0 mol% (N{sub 2} formation).

  4. 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.

  5. 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.

  6. Thermal integrity in mechanics and engineering

    International Nuclear Information System (INIS)

    Shorr, Boris F.

    2015-01-01

    The book is targeted at engineers, university lecturers, postgraduates, and final year undergraduate students involved in computational modelling and experimental and theoretical analysis of the high-temperature behavior of engineering structures. It will also be of interest to researchers developing the thermal strength theory as a branch of continuum mechanics. Thermal integrity is a multidisciplinary field combining the expertise of mechanical engineers, material scientists and applied mathematicians, each approaching the problem from their specific viewpoint. This monograph draws on the research of a broad scientific community including the author's contribution. The scope of thermal strength analysis was considerably extended thanks to modern computers and the implementation of FEM codes. However, the author believes that some material models adopted in the advanced high-performance software, are not sufficiently justificated due to lack of easy-to-follow books on the theoretical and experimental aspects of thermal integrity. The author endeavors to provide a thorough yet sufficiently simple presentation of the underlying concepts, making the book compelling to a wide audience.

  7. Thermal integrity in mechanics and engineering

    Energy Technology Data Exchange (ETDEWEB)

    Shorr, Boris F. [Central Institute of Aviation Motors (CIAM), Moscow (Russian Federation)

    2015-07-01

    The book is targeted at engineers, university lecturers, postgraduates, and final year undergraduate students involved in computational modelling and experimental and theoretical analysis of the high-temperature behavior of engineering structures. It will also be of interest to researchers developing the thermal strength theory as a branch of continuum mechanics. Thermal integrity is a multidisciplinary field combining the expertise of mechanical engineers, material scientists and applied mathematicians, each approaching the problem from their specific viewpoint. This monograph draws on the research of a broad scientific community including the author's contribution. The scope of thermal strength analysis was considerably extended thanks to modern computers and the implementation of FEM codes. However, the author believes that some material models adopted in the advanced high-performance software, are not sufficiently justificated due to lack of easy-to-follow books on the theoretical and experimental aspects of thermal integrity. The author endeavors to provide a thorough yet sufficiently simple presentation of the underlying concepts, making the book compelling to a wide audience.

  8. Gold nano-particle formation from crystalline AuCN: Comparison of thermal, plasma- and ion-beam activated decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Beck, Mihály T.; Bertóti, Imre, E-mail: bertoti.imre@ttk.mta.hu; Mohai, Miklós; Németh, Péter; Jakab, Emma; Szabó, László; Szépvölgyi, János

    2017-02-15

    In this work, in addition to the conventional thermal process, two non-conventional ways, the plasma and ion beam activations are described for preparing gold nanoparticles from microcrystalline AuCN precursor. The phase formation at plasma and ion beam treatments was compared with that at thermal treatments and the products and transformations were characterized by thermogravimetry-mass-spectrometry (TG-MS), X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM). TG-MS measurements in Ar atmosphere revealed that AuCN decomposition starts at 400 °C and completes at ≈700 °C with evolution of gaseous (CN){sub 2}. XPS and TEM show that in heat treatment at 450 °C for 1 h in Ar, loss of nitrogen and carbon occurs and small, 5–30 nm gold particles forms. Heating at 450 °C for 10 h in sealed ampoule, much larger, 60–200 nm size and well faceted Au particles develop together with a fibrous (CN){sub n} polymer phase, and the Au crystallites are covered by a 3–5 nm thick polymer shell. Low pressure Ar plasma treatment at 300 eV energy results in 4–20 nm size Au particles and removes most of the nitrogen and part of carbon. During Ar{sup +} ion bombardment with 2500 eV energy, 5–30 nm size Au crystallites form already in 10 min, with preferential loss of nitrogen and with increased amount of carbon residue. The results suggest that plasma and ion beam activation, acting similarly to thermal treatment, may be used to prepare Au nanoparticles from AuCN on selected surface areas either by depositing AuCN precursors on selected regions or by focusing the applied ionized radiation. Thus they may offer alternative ways for preparing tailor-made catalysts, electronic devices and sensors for different applications. - Graphical abstract: Proposed scheme of the decomposition mechanism of AuCN samples: heat treatment in Ar flow (a) and in sealed ampoule (b); Ar{sup +} ion treatment at 300 eV (c) and at 2500 eV (d). Cross section sketches

  9. Formation of a metallic glass by thermal decomposition of Fe(CO)5

    DEFF Research Database (Denmark)

    Wonterghem, Jacques van; Mørup, Steen; Charles, Stuart W.

    1985-01-01

    Iron pentacarbonyl has been thermally decomposed in an organic liquid. Mössbauer spectroscopy and x-ray diffraction studies show that the sample contains small particles of a metallic glass. Annealing of the particles at 523 K results in crystallization of the particles into a mixture of α-Fe and χ......-Fe5C2. The mechanism of glass formation is discussed....

  10. Thermal Decomposition of Potential Ester Biofuels. Part I: Methyl Acetate and Methyl Butanoate

    Energy Technology Data Exchange (ETDEWEB)

    Porterfield, Jessica P.; Bross, David H.; Ruscic, Branko; Thorpe, James H.; Nguyen, Thanh Lam; Baraban, Joshua H.; Stanton, John F.; Daily, John W.; Ellison, G. Barney

    2017-06-09

    Two methyl esters have been examined as models for the pyrolysis of biofuels. Dilute samples (0.06 - 0.13%) of methyl acetate (CH3COOCH3) and methyl butanoate (CH3CH2CH2COOCH3) were entrained in (He, Ar) carrier gas and decomposed in a set of flash-pyrolysis micro-reactors. The pyrolysis products resulting from the methyl esters were detected and identified by vacuum ultraviolet photoionization mass spectrometry. Complementary product identification was provided by matrix infrared absorption spectroscopy. Pyrolysis pressures in the pulsed micro-reactor were roughly 20 Torr and residence times through the reactors were approximately 25 - 150 µs. Reactor temperatures of 300 – 1600 K were explored. Decomposition of CH3COOCH3 commences at 1000 K and the initial products are (CH2=C=O and CH3OH). As the micro-reactor is heated to 1300 K, a mixture of (CH2=C=O and CH3OH, CH3, CH2=O, H, CO, CO2) appears. The thermal cracking of CH3CH2CH2COOCH3 begins at 800 K with the formation of (CH3CH2CH=C=O, CH3OH). By 1300 K, the pyrolysis of methyl butanoate yields a complex mixture of (CH3CH2CH=C=O, CH3OH, CH3, CH2=O, CO, CO2, CH3CH=CH2, CH2CHCH2, CH2=C=CH2, HCCCH2, CH2=C=C=O, CH2=CH2, HCΞCH, CH2=C=O). Based on the results from the thermal cracking of methyl acetate and methyl butanoate, we predict several important decomposition channels for the pyrolysis of fatty acid methyl esters, R CH2-COOCH3. The lowest energy fragmentation will be a 4-center elimination of methanol to form the ketene, RCH=C=O. At higher temperatures, concerted

  11. 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.

  12. 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.

  13. Mechanical and Thermal Characterization of Silica Nanocomposites

    Science.gov (United States)

    Cunningham, Anthony Lamar

    Polymer nanocomposites are a class of materials containing nanoparticles with a large interfacial surface area. Only a small quantity of nanoparticles are needed to provide superior multifunctional properties; such as mechanical, thermal, electrical, and moisture absorption properties in polymers. Nanoparticles tend to agglomerate, so special techniques are required for homogeneous distribution. Nanosilica is now readily available as colloidal sols, for example; Nanopox RTM F400 (supplied by Evonik Nanoresins AG, Germany). The nanoparticles are first synthesized from aqueous sodium silicate solution, and then undergo a surface modification process with organosilane and matrix exchange. F400 contains 40%wt silica nanoparticles colloidally dispersed in a DGEBA epoxy resin. The mean particle diameter is about 20 nm with a narrow distribution range of about 5 to 35 nm. The objectives of this study are to develop a reproducible processing method for nanosilica enhanced resin systems used in the manufacturing of fiber reinforced composites that will be characterized for mechanical and thermal properties. Research has concluded that shows improvements in the properties of the matrix material when processed in loading variations of 0 to 25%wt silica nanoparticles. The loadings were also used to manufacture fiberglass reinforced nanocomposite laminates and also tested for mechanical and thermal properties.

  14. 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.

  15. 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

  16. 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

  17. Prediction of electronically nonadiabatic decomposition mechanisms of isolated gas phase nitrogen-rich energetic salt: Guanidium-triazolate

    Energy Technology Data Exchange (ETDEWEB)

    Ghosh, Jayanta; Bhattacharya, Atanu, E-mail: atanub@ipc.iisc.ernet.in

    2016-01-13

    Highlights: • Decomposition mechanisms of model energetic salt, guanidium triazolate, are explored. • Decomposition pathways are electronically nonadiabatic. • CASPT2, CASMP2 and CASSCF methodologies are employed. • N{sub 2} and NH{sub 3} are predicted to be the most possible initial decomposition products. - Abstract: Electronically nonadiabatic decomposition pathways of guanidium triazolate are explored theoretically. Nonadiabatically coupled potential energy surfaces are explored at the complete active space self-consistent field (CASSCF) level of theory. For better estimation of energies complete active space second order perturbation theories (CASPT2 and CASMP2) are also employed. Density functional theory (DFT) with B3LYP functional and MP2 level of theory are used to explore subsequent ground state decomposition pathways. In comparison with all possible stable decomposition products (such as, N{sub 2}, NH{sub 3}, HNC, HCN, NH{sub 2}CN and CH{sub 3}NC), only NH{sub 3} (with NH{sub 2}CN) and N{sub 2} are predicted to be energetically most accessible initial decomposition products. Furthermore, different conical intersections between the S{sub 1} and S{sub 0} surfaces, which are computed at the CASSCF(14,10)/6-31G(d) level of theory, are found to play an essential role in the excited state deactivation process of guanidium triazolate. This is the first report on the electronically nonadiabatic decomposition mechanisms of isolated guanidium triazolate salt.

  18. 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.

  19. 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.

  20. 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

  1. 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.

  2. Reaction mechanism of ethylene glycol decomposition on Pt model catalysts: A density functional theory study

    International Nuclear Information System (INIS)

    Lv, Cun-Qin; Yang, Bo; Pang, Xian-Yong; Wang, Gui-Chang

    2016-01-01

    Highlights: • DFT calculations were performed to study the ethylene glycol decomposition on Pt. • The final products are CO and H_2 on Pt(111), (100) and (211). • Ethylene glycol decomposition on Pt(111) undergoes via initial O−H bond scission and followed by C−H bond cleavage. • Ethylene glycol decomposition proceeds via initial O−H bond scission and followed by O−H bond cleavage on Pt(100)/(211). - Abstract: Understanding and controlling bond beak sequence is important in catalytic processes. The DFT-GGA method combined with slab model was performed to study the ethylene glycol decomposition on various Pt model catalysts such as close-packed Pt(111), stepped Pt(211) and a more open one, Pt(100). Calculation results show that the adsorption energies of ethylene glycol and other decomposition species depend on the coordination number of surface atom, that is, low coordination number correspond to high adsorption energy. Moreover, it was found that final products of ethylene glycol decomposition are CO and H_2 on all model catalysts, but the reaction mechanism varies: On Pt(111), the first step is O−H bond scission, followed by C−H bond cleavage, namely C_2H_6O_2 → HOCH_2CH_2O + H → HOCH_2CHO + 2H→ HOCH_2CO +3H → OCH_2CO + 4H → OCHCO + 5H → CO + HCO + 5H → 2CO + 6H→ 2CO + 3H_2; On Pt(211) and Pt(100), however, it is a second O−H bond cleavage that follows the initial O−H bond scission, that is, C_2H_6O_2 → HOCH_2CH_2O + H → OCH_2CH_2O + 2H → OCHCH_2O + 3H → OCHCHO + 4H → 2HCO + 4H → 2CO + 6H → 2CO + 3H_2  on Pt(211), and C_2H_6O_2 →HOCH_2CH_2O+ H → OCH_2CH_2O + 2H→OCHCH_2O+3H→OCCH_2O+4H→CO+H_2CO+4H→CO+HCO+5H→2CO+6H→2CO+3H_2 on Pt(100) For the catalytic order of ethylene glycol to form H_2, it may be determined based on the rate-controlling step, and it is Pt(111) > Pt(211) > Pt(100).

  3. Non-Fourier based thermal-mechanical tissue damage prediction for thermal ablation.

    Science.gov (United States)

    Li, Xin; Zhong, Yongmin; Smith, Julian; Gu, Chengfan

    2017-01-02

    Prediction of tissue damage under thermal loads plays important role for thermal ablation planning. A new methodology is presented in this paper by combing non-Fourier bio-heat transfer, constitutive elastic mechanics as well as non-rigid motion of dynamics to predict and analyze thermal distribution, thermal-induced mechanical deformation and thermal-mechanical damage of soft tissues under thermal loads. Simulations and comparison analysis demonstrate that the proposed methodology based on the non-Fourier bio-heat transfer can account for the thermal-induced mechanical behaviors of soft tissues and predict tissue thermal damage more accurately than classical Fourier bio-heat transfer based model.

  4. Kinetics of the Thermal Decomposition of Tetramethylsilane behind the Reflected Shock Waves in a Single Pulse Shock Tube (SPST) and Modeling Study

    Science.gov (United States)

    Parandaman, A.; Sudhakar, G.; Rajakumar, B.

    Thermal reactions of Tetramethylsilane (TMS) diluted in argon were studied behind the reflected shock waves in a single-pulse shock tube (SPST) over the temperature range of 1085-1221 K and pressures varied between 10.6 and 22.8 atm. The stable products resulting from the decomposition of TMS were identified and quantified using gas chromatography and also verified with Fourier Transform Infrared (FTIR) spectrometer. The major reaction products are methane (CH4) and ethylene (C2H4). The minor reaction products are ethane (C2H6) and propylene (C3H6). The initiation of mechanism in the decomposition of TMS takes plays via the Si-C bond scission by ejecting the methyl radicals (CH3) and trimethylsilyl radicals ((CH3)3Si). The measured temperature dependent rate coefficient for the total decomposition of TMS was to be ktotal = 1.66 ×1015 exp (-64.46/RT) s-1 and for the formation of CH4 reaction channel was to be k = 2.20 × 1014 exp (-60.15/RT) s-1, where the activation energies are given in kcal mol-1. A kinetic scheme containing 17 species and 28 elementary reactions was used for the simulation using chemical kinetic simulator over the temperature range of 1085-1221 K. The agreement between the experimental and simulated results was satisfactory.

  5. In situ generated gas bubble-assisted modulation of the morphologies, photocatalytic, and magnetic properties of ferric oxide nanostructures synthesized by thermal decomposition of iron nitrate

    International Nuclear Information System (INIS)

    Tong Guoxiu; Guan Jianguo; Xiao Zhidong; Huang Xing; Guan Yao

    2010-01-01

    Ferric oxide (Fe 2 O 3 ) complex nanoarchitectures with high BET specific surface area, superior photocatalytic activity and modulated magnetic properties are facilely synthesized via controlled thermal decomposition of iron(III) nitrate nonahydrate. The products are characterized by X-ray diffraction, Fourier-transforming infrared spectra, field-emission scanning electron microscope, field-emission high-resolution transmission electron microscope, and nitrogen physisorption and micrometrics analyzer. The corresponding photocatalytic activity and static magnetic properties are also evaluated by measuring the photocatalytic degradation of Rhodamine B aqueous solution under visible light illumination and vibrating sample magnetometer, respectively. Simply tuning the decomposition temperature can conveniently modulate the adsorbing/desorbing behaviors of the in situ generated gases on the nucleus surfaces, and consequently the crystalline structures and morphologies of the Fe 2 O 3 complex nanoarchitectures. The as-prepared Fe 2 O 3 complex nanoarchitectures show strong crystal structure and/or morphology-dependent photocatalytic and magnetic performances. The Fe 2 O 3 complex nanoarchitectures with high specific surface area and favorable crystallization are found to be beneficial for improving the photocatalytic activity. This work not only reports a convenient and low-cost decomposition procedure and a novel formation mechanism of complex nanoarchitectures but also provides an efficient route to enhance catalytic and magnetic properties of Fe 2 O 3 .

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

    Science.gov (United States)

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

    Two types of ammonium uranyl nitrate (NH 4 ) 2 UO 2 (NO 3 ) 4 ·2H 2 O and NH 4 UO 2 (NO 3 ) 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 (NH 4 ) 2 UO 2 (NO 3 ) 4 ·2H 2 O and NH 4 UO 2 (NO 3 ) 3 decomposed to amorphous UO 3 regardless of the atmosphere used. The amorphous UO 3 from (NH 4 ) 2 UO 2 (NO 3 ) 4 ·2H 2 O was crystallized to γ-UO 3 regardless of the atmosphere used without a change in weight. The amorphous UO 3 obtained from decomposition of NH 4 UO 2 (NO 3 ) 3 was crystallized to α-UO 3 under a nitrogen and air atmosphere, and to β-UO 3 under a hydrogen atmosphere without a change in weight. Under each atmosphere, the reaction paths of (NH 4 ) 2 UO 2 (NO 3 ) 4 ·2H 2 O and NH 4 UO 2 (NO 3 ) 3 were as follows: under a nitrogen atmosphere: (NH 4 ) 2 UO 2 (NO 3 ) 4 ·2H 2 O → (NH 4 ) 2 UO 2 (NO 3 ) 4 ·H 2 O → (NH 4 ) 2 UO 2 (NO 3 ) 4  → NH 4 UO 2 (NO 3 ) 3  → A-UO 3  → γ-UO 3  → U 3 O 8 , NH 4 UO 2 (NO 3 ) 3  → A-UO 3  → α-UO 3  → U 3 O 8 ; under an air atmosphere: (NH 4 ) 2 UO 2 (NO 3 ) 4 ·2H 2 O → (NH 4 ) 2 UO 2 (NO 3 ) 4 ·H 2 O → (NH 4 ) 2 UO 2 (NO 3 ) 4  → NH 4 UO 2 (NO 3 ) 3  → A-UO 3  → γ-UO 3  → U 3 O 8 , NH 4 UO 2 (NO 3 ) 3  → A-UO 3  → α-UO 3  → U 3 O 8 ; and under a hydrogen atmosphere: (NH 4 ) 2 UO 2 (NO 3 ) 4 ·2H 2 O → (NH 4 ) 2 UO 2 (NO 3 ) 4 ·H 2 O → (NH 4 ) 2 UO 2 (NO 3 ) 4  → NH 4 UO 2 (NO 3 ) 3  → A-UO 3  → γ-UO 3  → α-U 3 O 8  → UO 2 , NH 4 UO 2 (NO 3 ) 3  → A-UO 3  → β-UO 3  → α-U 3 O 8  → UO 2 .

  7. Hydrogen and Carbon Black Production from Thermal Decomposition of Sub-Quality Natural Gas

    Directory of Open Access Journals (Sweden)

    M. Javadi

    2010-03-01

    Full Text Available The objective of this paper is computational investigation of the hydrogen and carbon black production through thermal decomposition of waste gases containing CH4 and H2S, without requiring a H2S separation process. The chemical reaction model, which involves solid carbon, sulfur compounds and precursor species for the formation of carbon black, is based on an assumed Probability Density Function (PDF parameterized by the mean and variance of mixture fraction and β-PDF shape. The effects of feedstock mass flow rate and reactor temperature on hydrogen, carbon black, S2, SO2, COS and CS2 formation are investigated. The results show that the major factor influencing CH4 and H2S conversions is reactor temperature. For temperatures higher than 1100° K, the reactor CH4 conversion reaches 100%, whilst H2S conversion increases in temperatures higher than 1300° K. The results reveal that at any temperature, H2S conversion is less than that of CH4. The results also show that in the production of carbon black from sub-quality natural gas, the formation of carbon monoxide, which is occurring in parallel, play a very significant role. For lower values of feedstock flow rate, CH4 mostly burns to CO and consequently, the production of carbon black is low. The results show that the yield of hydrogen increases with increasing feedstock mass flow rate until the yield reaches a maximum value, and then drops with further increase in the feedstock mass flow rate.

  8. Thermal and catalytic decomposition behavior of PVC mixed plastic waste with petroleum residue

    Energy Technology Data Exchange (ETDEWEB)

    Ali, Mohammad Farhat; Siddiqui, Mohammad Nahid [Department of Chemistry, King Fahd University of Petroleum and Minerals, Dhahran 31261 (Saudi Arabia)

    2005-08-15

    The pyrolysis and hydropyrolysis of PVC mixed plastic waste alone and with petroleum residue was carried out at 150 and 350{sup o}C under N{sub 2} gas and at 430{sup o}C under 6.5MPa H{sub 2} gas pressure. The behavior of plastic waste during thermal and catalytic decomposition has also been studied in single- and two-stage reaction processes. In the individual pyrolysis process, both the petroleum residue and polystyrene (PS) undergo more than 90% conversion to liquid and gaseous products, whereas low-density polyethylene (LDPE) and high-density polyethylene (HDPE) yielded lower conversions products, and polypropylene (PP) and polyvinyl chloride (PVC) afforded somewhere a moderate to high conversion products. In a single-stage pyrolysis reaction, PVC was processed with petroleum residue at 150 and 430{sup o}C, under N{sub 2} gas for 1h at each temperature in a glass reactor. The model PVC and waste PVC showed slight variations in the products distribution obtained from the glass reactor. In two-stage process, model PVC, vacuum gas oil (VGO) and a number of different catalysts were used in a stainless steel autoclave micro tubular reactor at 350{sup o}C under the stream of N{sub 2} gas for 1h and at 430{sup o}C under 950psi (6.5MPa) H{sub 2} pressure for the duration of 2h. Significantly, different products distributions were obtained. Among the catalysts used, fluid catalytic cracking (FCC) and hydrocracking catalysts (HC-1) were most effective in producing liquid fuel (hexane soluble) materials. The study shows that the catalytic coprocessing of PVC with VGO is a feasible process by which PVC and VGO materials can be converted into transportation fuels.

  9. 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.

  10. 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 ...

  11. Decomposition and Precipitation Process During Thermo-mechanical Fatigue of Duplex Stainless Steel

    Czech Academy of Sciences Publication Activity Database

    Weidner, A.; Kolmorgen, R.; Kuběna, Ivo; Kulawinski, D.; Kruml, Tomáš; Biermann, H.

    47A, č. 5 (2016), s. 2112-2124 ISSN 1073-5623 R&D Projects: GA MŠk(CZ) ED1.1.00/02.0068; GA ČR GA15-08826S Institutional support: RVO:68081723 Keywords : FE-CR ALLOYS * SPINODAL DECOMPOSITION * COMPUTER-MODELS * ATOMIC-LEVEL * AGING EMBRITTLEMENT * FERRITE * BEHAVIOR * TEMPERATURE Subject RIV: JL - Materials Fatigue, Friction Mechanics Impact factor: 1.874, year: 2016 http://link.springer.com/article/10.1007/s11661-016-3392-z

  12. Mechanical and assembly units of viral capsids identified via quasi-rigid domain decomposition.

    Directory of Open Access Journals (Sweden)

    Guido Polles

    Full Text Available Key steps in a viral life-cycle, such as self-assembly of a protective protein container or in some cases also subsequent maturation events, are governed by the interplay of physico-chemical mechanisms involving various spatial and temporal scales. These salient aspects of a viral life cycle are hence well described and rationalised from a mesoscopic perspective. Accordingly, various experimental and computational efforts have been directed towards identifying the fundamental building blocks that are instrumental for the mechanical response, or constitute the assembly units, of a few specific viral shells. Motivated by these earlier studies we introduce and apply a general and efficient computational scheme for identifying the stable domains of a given viral capsid. The method is based on elastic network models and quasi-rigid domain decomposition. It is first applied to a heterogeneous set of well-characterized viruses (CCMV, MS2, STNV, STMV for which the known mechanical or assembly domains are correctly identified. The validated method is next applied to other viral particles such as L-A, Pariacoto and polyoma viruses, whose fundamental functional domains are still unknown or debated and for which we formulate verifiable predictions. The numerical code implementing the domain decomposition strategy is made freely available.

  13. Mechanical and thermal design of hybrid blankets

    International Nuclear Information System (INIS)

    Schultz, K.R.

    1978-01-01

    The thermal and mechanical aspects of hybrid reactor blanket design considerations are discussed. This paper is intended as a companion to that of J. D. Lee of Lawrence Livermore Laboratory on the nuclear aspects of hybrid reactor blanket design. The major design characteristics of hybrid reactor blankets are discussed with emphasis on the areas of difference between hybrid reactors and standard fusion or fission reactors. Specific examples are used to illustrate the design tradeoffs and choices that must be made in hybrid reactor design. These examples are drawn from the work on the Mirror Hybrid Reactor

  14. 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.

  15. Biodegradable compounds: Rheological, mechanical and thermal properties

    Science.gov (United States)

    Nobile, Maria Rossella; Lucia, G.; Santella, M.; Malinconico, M.; Cerruti, P.; Pantani, R.

    2015-12-01

    Recently great attention from industry has been focused on biodegradable polyesters derived from renewable resources. In particular, PLA has attracted great interest due to its high strength and high modulus and a good biocompatibility, however its brittleness and low heat distortion temperature (HDT) restrict its wide application. On the other hand, Poly(butylene succinate) (PBS) is a biodegradable polymer with a low tensile modulus but characterized by a high flexibility, excellent impact strength, good thermal and chemical resistance. In this work the two aliphatic biodegradable polyesters PBS and PLA were selected with the aim to obtain a biodegradable material for the industry of plastic cups and plates. PBS was also blended with a thermoplastic starch. Talc was also added to the compounds because of its low cost and its effectiveness in increasing the modulus and the HDT of polymers. The compounds were obtained by melt compounding in a single screw extruder and the rheological, mechanical and thermal properties were investigated. The properties of the two compounds were compared and it was found that the values of the tensile modulus and elongation at break measured for the PBS/PLA/Talc compound make it interesting for the production of disposable plates and cups. In terms of thermal resistance the compounds have HDTs high enough to contain hot food or beverages. The PLA/PBS/Talc compound can be, then, considered as biodegradable substitute for polystyrene for the production of disposable plates and cups for hot food and beverages.

  16. 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.

  17. Understanding CO2 decomposition by thermal plasma with supersonic expansion quench

    Science.gov (United States)

    Tao, YANG; Jun, SHEN; Tangchun, RAN; Jiao, LI; Pan, CHEN; Yongxiang, YIN

    2018-04-01

    CO2 pyrolysis by thermal plasma was investigated, and a high conversion rate of 33% and energy efficiency of 17% were obtained. The high performance benefited from a novel quenching method, which synergizes the converging nozzle and cooling tube. To understand the synergy effect, a computational fluid dynamics simulation was carried out. A quick quenching rate of 107 K s‑1 could be expected when the pyrolysis gas temperature decreased from more than 3000 to 1000 K. According to the simulation results, the quenching mechanism was discussed as follows: first, the compressible fluid was adiabatically expanded in the converging nozzle and accelerated to sonic speed, and parts of the heat energy converted to convective kinetic energy; second, the sonic fluid jet into the cooling tube formed a strong eddy, which greatly enhanced the heat transfer between the inverse-flowing fluid and cooling tube. These two mechanisms ensure a quick quenching to prevent the reverse reaction of CO2 pyrolysis gas when it flows out from the thermal plasma reactor.

  18. On some mechanisms of the effect of thermal prehistory on the behavior of silicon parameters under irradiation

    International Nuclear Information System (INIS)

    Nejmash, V.B.; Sagan, T.R.; Tsmots', V.M.; Shakhovtsov, V.I.; Shindich, V.L.

    1991-01-01

    The effect of preliminary thermal treatment (TT) in 400-1200 degC temperature range on the behavior of Si monocrystal parameters under subsequent γ-, electron and neutron irradiation is investigated. Five mechanisms of Si thermal prehistory effect on its properties are proposed: 1) decomposition of solid solutions of impurities interacting with radiation defects (RD); 2) formation of electrically active thermal defects (TD) in concentrations wich are sufficient for a significant alteration of RD charged state; 3) origination of TD, which can efficiency as aresult of the redistribution of impurities under thermal treatment; 5) formation of clusters of electrically active TD, resulting in the disturbance of electric homogeneity of Si crystal

  19. 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.

  20. 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

  1. An investigation on microstructure and mechanical property of thermally aged stainless steel weld overlay cladding

    Energy Technology Data Exchange (ETDEWEB)

    Cao, X.Y. [National Center for Materials Service Safety, University of Science and Technology Beijing, 30 Xueyuan Road, 100083 Beijing (China); Zhu, P. [Suzhou Nuclear Power Research Institute Co. Ltd., 1788 Xihuan Road, 215004 Suzhou (China); Ding, X.F. [National Center for Materials Service Safety, University of Science and Technology Beijing, 30 Xueyuan Road, 100083 Beijing (China); Lu, Y.H., E-mail: lu_yonghao@mater.ustb.edu.cn [National Center for Materials Service Safety, University of Science and Technology Beijing, 30 Xueyuan Road, 100083 Beijing (China); Shoji, T. [National Center for Materials Service Safety, University of Science and Technology Beijing, 30 Xueyuan Road, 100083 Beijing (China); Fracture and Reliability Research Institute, Tohoku University, 6-6-01 Aoba AramakiAobaku, 980-8579 Sendai (Japan)

    2017-04-01

    Microstructural evolution and mechanical property change of E308L stainless steel weld overlay cladding aged at 400 °C for 400, 1000 and 5000 h were investigated by transmission electron microscope (TEM) and small punch test (SPT). The results indicated that thermal aging had no obvious effect on the volume fraction of ferrite, but can cause microstructural evolution by spinodal decomposotion and G-phase precipitation in the ferrite phase. Spinodal decomposition took place after aging up to 1000 h, while G-phase formed along dislocations, and growed up to 2–11 nm after aging for 5000 h. The total energy for inducing deformation and fracture by the small punch tests decreased with the increase of thermal aging time, and this decline was associated with spinodal decomposition and G-phase precipitation. Plastic deformation of the aged ferrite proceeded via formation of curvilinear slip bands. Nucleation of microcracks occurred at the δ/γ interface along the slip bands. The hardening of the ferrite and high stress concentration on δ/γ phase interface resulted in brittle fracture and phase boundary separation after thermal aging. - Highlights: •Spinodal decomposition took place after long-term therml aging at 400 °C. •Dislocations were the preferable sites for G-phase formation aged at 400 °C for 5000 h. •Spinodal decomposition and G-phase precipitation induced reduction of small punch energy. •Thermal aging led to brittle fracture and phase boundary separation. •Nucleation of microcracks occurred at the δ/γ interface along the slip bands in the aged ferrite phase.

  2. An investigation on microstructure and mechanical property of thermally aged stainless steel weld overlay cladding

    International Nuclear Information System (INIS)

    Cao, X.Y.; Zhu, P.; Ding, X.F.; Lu, Y.H.; Shoji, T.

    2017-01-01

    Microstructural evolution and mechanical property change of E308L stainless steel weld overlay cladding aged at 400 °C for 400, 1000 and 5000 h were investigated by transmission electron microscope (TEM) and small punch test (SPT). The results indicated that thermal aging had no obvious effect on the volume fraction of ferrite, but can cause microstructural evolution by spinodal decomposotion and G-phase precipitation in the ferrite phase. Spinodal decomposition took place after aging up to 1000 h, while G-phase formed along dislocations, and growed up to 2–11 nm after aging for 5000 h. The total energy for inducing deformation and fracture by the small punch tests decreased with the increase of thermal aging time, and this decline was associated with spinodal decomposition and G-phase precipitation. Plastic deformation of the aged ferrite proceeded via formation of curvilinear slip bands. Nucleation of microcracks occurred at the δ/γ interface along the slip bands. The hardening of the ferrite and high stress concentration on δ/γ phase interface resulted in brittle fracture and phase boundary separation after thermal aging. - Highlights: •Spinodal decomposition took place after long-term therml aging at 400 °C. •Dislocations were the preferable sites for G-phase formation aged at 400 °C for 5000 h. •Spinodal decomposition and G-phase precipitation induced reduction of small punch energy. •Thermal aging led to brittle fracture and phase boundary separation. •Nucleation of microcracks occurred at the δ/γ interface along the slip bands in the aged ferrite phase.

  3. Scattering Mechanism Extraction by a Modified Cloude-Pottier Decomposition for Dual Polarization SAR

    Directory of Open Access Journals (Sweden)

    Kefeng Ji

    2015-06-01

    Full Text Available Dual polarization is a typical operational mode of polarimetric synthetic aperture radar (SAR. However, few studies have considered the scattering mechanism extraction of dual-polarization SARs. A modified Cloude-Pottier decomposition is proposed to investigate the performance of the scattering mechanism extraction of dual-polarization SARs. It is theoretically demonstrated that only HH-VV SAR can discriminate the three canonical scattering mechanisms from an isotropic surface, horizontal dipole, and isotropic dihedral. Various experiments are conducted using 21 scenes from real datasets acquired by AIRSAR, Convair-580 SAR, EMISAR, E-SAR, Pi-SAR, and RADARSAT-2. Division of the dual-polarization H-α plane is experimentally obtained. The lack of cross-polarization induces the diffusion of scattering mechanisms and their overlap in the HH-VV H-α plane. However, the performance of HH-VV SAR for extracting scattering mechanisms is acceptable. Thus, HH-VV SAR is a suitable alternative to full-polarization SAR in certain cases. Meanwhile, the extraction performance of the other two dual-polarization SARs is badly degraded due to the lack of co-polarization. Therefore, HH-HV and HV-VV SARs cannot effectively extract the scattering mechanisms in the H-α plane.

  4. 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...

  5. ACCESS: Thermal Mechanical Design, Performance, and Status

    Science.gov (United States)

    Kaiser, Mary Elizabeth; Morris, M. J.; McCandliss, S. R.; Rauscher, B. J.; Kimble, R. A.; Kruk, J. W.; Wright, E. L.; Bohlin, R.; Kurucz, R. L.; Riess, A. G.; Pelton, R.; Deustua, S. E.; Dixon, W. V.; Sahnow, D. J.; Benford, D. J.; Gardner, J. P.; Feldman, P. D.; Moos, H. W.; Lampton, M.; Perlmutter, S.; Woodgate, B. E.

    2014-01-01

    Systematic errors associated with astrophysical data used to probe fundamental astrophysical questions, such as SNeIa observations used to constrain dark energy theories, are now rivaling and exceeding the statistical errors associated with these measurements. ACCESS: Absolute Color Calibration Experiment for Standard Stars is a series of rocket-borne sub-orbital missions and ground-based experiments designed to enable improvements in the precision of the astrophysical flux scale through the transfer of absolute laboratory detector standards from the National Institute of Standards and Technology (NIST) to a network of stellar standards with a calibration accuracy of 1% and a spectral resolving power of 500 across the 0.35 - 1.7μm bandpass. Achieving this level of accuracy requires characterization and stability of the instrument and detector including a thermal background that contributes less than 1% to the flux per resolution element in the NIR. We will present the instrument and calibration status with a focus on the thermal mechanical design and associated performance data. The detector control and performance will be presented in a companion poster (Morris, et al). NASA APRA sounding rocket grant NNX08AI65G supports this work.

  6. CW 316 mechanical properties during thermal transients

    International Nuclear Information System (INIS)

    Cauvin, R.; Boutard, J.L.; Allegraud, G.

    1984-06-01

    During in pile incidents, the cladding can experience higher temperatures than the nominal one; it is necessary to know the mechanical properties of the cladding material during such thermal transients to predict the time and location of rupture. Two types of tests have been developed: first tensile (constant strain rate) tests after a heating at a constant rate and secondly constant load tests where heating is performed until rupture occurs. The tensile tests clearly show the role of the heating rate: the higher is the heating rate, the lower is the cold work recovery. Constant load tests were conducted with either uniaxial or biaxial (burst tests) loading. The same stress/failure temperature relation is found in both types of loading using the Von Mises equivalent stress. To predict failure, the Larson Miller parameter is not adequate, as well as all parameters based on a time/temperature equivalence. The yield stress measured in the two types of tests are very different probably due to a strain rate effect. Indeed the tensile tests are dynamic ones to avoid thermal recovery during the test duration, while the strain rate measured in constant load tests ranges only from 10 -5 s -1 to 10 -3 s -1 , being an increasing function of heating rate (ranging from 1 0 c/s to 100 0 c/s)

  7. Decomposition mechanism of melamine borate in pyrolytic and thermo-oxidative conditions

    Energy Technology Data Exchange (ETDEWEB)

    Hoffendahl, Carmen; Duquesne, Sophie; Fontaine, Gaëlle; Bourbigot, Serge, E-mail: serge.bourbigot@ensc-lille.fr

    2014-08-20

    Highlights: • Decomposition of melamine borate in pyrolytic and thermo-oxidative conditions was investigated. • With increasing temperature, orthoboric acid forms boron oxide releasing water. • Melamine decomposes evolving melamine, ammonia and other fragments. • Boron oxide is transformed into boron nitride and boron nitride-oxide structures through presence of ammonia. - Abstract: Decomposition mechanism of melamine borate (MB) in pyrolytic and thermo-oxidative conditions is investigated in the condensed and gas phases using solid state NMR ({sup 13}C and {sup 11}B), X-ray photoelectron spectroscopy (XPS), pyrolysis-gas chromatography–mass spectrometry (py-GCMS) and thermogravimetric analysis coupled with a Fourier transform infrared spectrometer (TGA–FTIR). It is evidenced that orthoboric acid dehydrates to metaboric and then to boron oxide. The melamine is partially sublimated. At the same time, melamine condensates, i.e., melem and melon are formed. Melon is only formed in thermo-oxidative conditions. At higher temperature, melem and melon decompose releasing ammonia which reacts with the boron oxide to form boron nitride (BN) and BNO structures.

  8. Representing Matrix Cracks Through Decomposition of the Deformation Gradient Tensor in Continuum Damage Mechanics Methods

    Science.gov (United States)

    Leone, Frank A., Jr.

    2015-01-01

    A method is presented to represent the large-deformation kinematics of intraply matrix cracks and delaminations in continuum damage mechanics (CDM) constitutive material models. The method involves the additive decomposition of the deformation gradient tensor into 'crack' and 'bulk material' components. The response of the intact bulk material is represented by a reduced deformation gradient tensor, and the opening of an embedded cohesive interface is represented by a normalized cohesive displacement-jump vector. The rotation of the embedded interface is tracked as the material deforms and as the crack opens. The distribution of the total local deformation between the bulk material and the cohesive interface components is determined by minimizing the difference between the cohesive stress and the bulk material stress projected onto the cohesive interface. The improvements to the accuracy of CDM models that incorporate the presented method over existing approaches are demonstrated for a single element subjected to simple shear deformation and for a finite element model of a unidirectional open-hole tension specimen. The material model is implemented as a VUMAT user subroutine for the Abaqus/Explicit finite element software. The presented deformation gradient decomposition method reduces the artificial load transfer across matrix cracks subjected to large shearing deformations, and avoids the spurious secondary failure modes that often occur in analyses based on conventional progressive damage models.

  9. Thermal-mechanical deformation modelling of soft tissues for thermal ablation.

    Science.gov (United States)

    Li, Xin; Zhong, Yongmin; Jazar, Reza; Subic, Aleksandar

    2014-01-01

    Modeling of thermal-induced mechanical behaviors of soft tissues is of great importance for thermal ablation. This paper presents a method by integrating the heating process with thermal-induced mechanical deformations of soft tissues for simulation and analysis of the thermal ablation process. This method combines bio-heat transfer theories, constitutive elastic material law under thermal loads as well as non-rigid motion dynamics to predict and analyze thermal-mechanical deformations of soft tissues. The 3D governing equations of thermal-mechanical soft tissue deformation are discretized by using the finite difference scheme and are subsequently solved by numerical algorithms. Experimental results show that the proposed method can effectively predict the thermal-induced mechanical behaviors of soft tissues, and can be used for the thermal ablation therapy to effectively control the delivered heat energy for cancer treatment.

  10. Crack assessment of pipe under combined thermal and mechanical load

    International Nuclear Information System (INIS)

    Song, Tae Kwang; Kim, Yun Jae

    2009-01-01

    In this paper, J-integral and transient C(t)-integral, which were key parameters in low temperature and high temperature fracture mechanics, under combined thermal and mechanical load were estimated via 3-dimensional finite element analyses. Various type of thermal and mechanical load, material hardening were considered to decrease conservatism in existing solutions. As a results, V-factor and redistribution time for combined thermal and mechanical load were proposed to calculate J-integral and C(t)-integral, respectively.

  11. Catalytic non-thermal plasma reactor for the decomposition of a ...

    Indian Academy of Sciences (India)

    2016-08-26

    Aug 26, 2016 ... Among the catalytic study, MnOx/SMF (manganese oxide on sintered metal fibres electrode) shows better performance, probably due to the formation of active oxygen species by in situ decomposition of ozone on the catalyst surface. Water vapour further enhanced the performance due to the in situ ...

  12. 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.

  13. Mechanisms of formation of trace decomposition products in complex high explosive mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Woodyard, J.D.; Burgess, C.E. [West Texas A and M Univ., Canyon, TX (United States); Rainwater, K.A. [Texas Tech Univ., Lubbock, TX (United States)

    1999-03-01

    A significant concern in the nation`s stockpile surveillance program in prediction of the lifetimes of the high explosives (HE) and their components as the weapons age. The Department of Energy`s Core Surveillance and Enhanced Surveillance programs specifically target issues of degradation of HE, binders, and plastic-bonded explosives (PBX) for determination of component lifetimes and handling procedures. These material science topics are being addressed at the DOE national laboratories and production plants, including Pantex. The principal goal of this project is to identify the mechanisms of decomposition of HE, plasticizers, plastic polymer binders, and radical stabilizers resulting from exposures to ionizing radiation, heat, and humidity. The following reports the work completed for 1998, including a comprehensive literature review about some of the materials examined and the laboratory work completed to date. The materials focused on in the laboratory are TATB, Estane 5301, and Irganox 1010.

  14. A Continuum Damage Mechanics Model to Predict Kink-Band Propagation Using Deformation Gradient Tensor Decomposition

    Science.gov (United States)

    Bergan, Andrew C.; Leone, Frank A., Jr.

    2016-01-01

    A new model is proposed that represents the kinematics of kink-band formation and propagation within the framework of a mesoscale continuum damage mechanics (CDM) model. The model uses the recently proposed deformation gradient decomposition approach to represent a kink band as a displacement jump via a cohesive interface that is embedded in an elastic bulk material. The model is capable of representing the combination of matrix failure in the frame of a misaligned fiber and instability due to shear nonlinearity. In contrast to conventional linear or bilinear strain softening laws used in most mesoscale CDM models for longitudinal compression, the constitutive response of the proposed model includes features predicted by detailed micromechanical models. These features include: 1) the rotational kinematics of the kink band, 2) an instability when the peak load is reached, and 3) a nonzero plateau stress under large strains.

  15. 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.

  16. 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.

  17. 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.

  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. 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

  20. Improvement of the chemical, thermal, mechanical and ...

    Indian Academy of Sciences (India)

    2018-05-16

    May 16, 2018 ... mal stability and thermal conductivity, it has limitation due its poor thermal .... graphene composites can help determine the percent of carbonyl .... between the glass transition temperature Tg and the amounts of graphene ...

  1. 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).

  2. 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.

  3. 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.

  4. 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.

  5. Catalysis of a Nanometre Solid Super Acid of SO42-/TiO2 on the Thermal Decomposition of Ammonium Nitrate

    Directory of Open Access Journals (Sweden)

    Xiaolan Song

    2016-03-01

    Full Text Available Raw TiO2 nanoparticles were prepared using the hydroly‐ sis of TiCl4. The nanoparticles were subjected to a surface treatment in diluted sulphuric acid and, subsequently, calcined at different temperatures. Then, a type of super solid acid (SO42-/TiO2 with particle sizes of 20∼30 nm was fabricated. The catalysis of SO42-/TiO2 on the thermolysis of ammonium nitrate (AN was probed using thermal analysis. For SO42-/TiO2 (AN doped with 3%SO42-/TiO2, the onset temperature decreased by 19°C and the peak tem‐ perature decreased by 15.8°C. For TiO2 (AN doped with 3%TiO2, the peak temperature decreased by only 0.5°C. Using the DSC-IR technology, the gas products of the decomposition of 3%SO42-/TiO2-doped AN were detected. We found that the products were mainly N2O (g and a small amount of H2O (g, and that no NH3 (g or HNO3 (g was detected, which ascertained the decomposition reaction of NH4NO3→N2O(g+H2O(g. In addition, the catalysis mechanism of SO42-/TiO2 on the AN decomposi‐ tion was discussed in detail.

  6. Molecular Theory of Detonation Initiation: Insight from First Principles Modeling of the Decomposition Mechanisms of Organic Nitro Energetic Materials.

    Science.gov (United States)

    Tsyshevsky, Roman V; Sharia, Onise; Kuklja, Maija M

    2016-02-19

    This review presents a concept, which assumes that thermal decomposition processes play a major role in defining the sensitivity of organic energetic materials to detonation initiation. As a science and engineering community we are still far away from having a comprehensive molecular detonation initiation theory in a widely agreed upon form. However, recent advances in experimental and theoretical methods allow for a constructive and rigorous approach to design and test the theory or at least some of its fundamental building blocks. In this review, we analyzed a set of select experimental and theoretical articles, which were augmented by our own first principles modeling and simulations, to reveal new trends in energetic materials and to refine known existing correlations between their structures, properties, and functions. Our consideration is intentionally limited to the processes of thermally stimulated chemical reactions at the earliest stage of decomposition of molecules and materials containing defects.

  7. Molecular Theory of Detonation Initiation: Insight from First Principles Modeling of the Decomposition Mechanisms of Organic Nitro Energetic Materials

    Directory of Open Access Journals (Sweden)

    Roman V. Tsyshevsky

    2016-02-01

    Full Text Available This review presents a concept, which assumes that thermal decomposition processes play a major role in defining the sensitivity of organic energetic materials to detonation initiation. As a science and engineering community we are still far away from having a comprehensive molecular detonation initiation theory in a widely agreed upon form. However, recent advances in experimental and theoretical methods allow for a constructive and rigorous approach to design and test the theory or at least some of its fundamental building blocks. In this review, we analyzed a set of select experimental and theoretical articles, which were augmented by our own first principles modeling and simulations, to reveal new trends in energetic materials and to refine known existing correlations between their structures, properties, and functions. Our consideration is intentionally limited to the processes of thermally stimulated chemical reactions at the earliest stage of decomposition of molecules and materials containing defects.

  8. Pharmaceutical applications of dynamic mechanical thermal analysis.

    Science.gov (United States)

    Jones, David S; Tian, Yiwei; Abu-Diak, Osama; Andrews, Gavin P

    2012-04-01

    The successful development of polymeric drug delivery and biomedical devices requires a comprehensive understanding of the viscoleastic properties of polymers as these have been shown to directly affect clinical efficacy. Dynamic mechanical thermal analysis (DMTA) is an accessible and versatile analytical technique in which an oscillating stress or strain is applied to a sample as a function of oscillatory frequency and temperature. Through cyclic application of a non-destructive stress or strain, a comprehensive understanding of the viscoelastic properties of polymers may be obtained. In this review, we provide a concise overview of the theory of DMTA and the basic instrumental/operating principles. Moreover, the application of DMTA for the characterization of solid pharmaceutical and biomedical systems has been discussed in detail. In particular we have described the potential of DMTA to measure and understand relaxation transitions and miscibility in binary and higher-order systems and describe the more recent applications of the technique for this purpose. © 2011 Elsevier B.V. All rights reserved.

  9. 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...

  10. 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.

  11. 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.

  12. 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.

  13. Mechanical, Hygric and Thermal Properties of Flue Gas Desulfurization Gypsum

    Directory of Open Access Journals (Sweden)

    P. Tesárek

    2004-01-01

    Full Text Available The reference measurements of basic mechanical, thermal and hygric parameters of hardened flue gas desulfurization gypsum are carried out. Moisture diffusivity, water vapor diffusion coefficient, thermal conductivity, volumetric heat capacity and linear thermal expansion coefficient are determined with the primary aim of comparison with data obtained for various types of modified gypsum in the future. 

  14. Multispectral linear array (MLA) focal plane mechanical and thermal design

    Science.gov (United States)

    Mitchell, A. S.; Kaminski, E. F.

    1982-01-01

    The mechanical and thermal design of an integrated focal plane subsystem of a Multispectral Linear Array (MLA) instrument is discussed in terms of focal-plane alignment, thermoelastic performance, and thermal requirements. The modular construction and thermal control of the focal plane array are discussed.

  15. Thermal decomposition study and biological characterization of zinc(II) 2-chlorobenzoate complexes with bioactive ligands

    Czech Academy of Sciences Publication Activity Database

    Findoráková, L.; Györyová, K.; Hudecová, D.; Mudroňová, D.; Kovářová, Jana; Homzová, K.; Nour El-Dien, F. A.

    2013-01-01

    Roč. 111, č. 3 (2013), s. 1771-1781 ISSN 1388-6150. [Central and Eastern European Conference on Thermal Analysis and Calorimetry /1./ - CEEC-TAC1. Craiova, 07.09.2011-10.09.2011] Institutional research plan: CEZ:AV0Z40500505 Keywords : zinc * 2-chlorobenzoate * thermal Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.206, year: 2013

  16. Thermal decomposition and antimicrobial activity of zinc(II) 2-bromobenzoates with organic ligands

    Czech Academy of Sciences Publication Activity Database

    Krajníková, A.; Györyová, K.; Hudecová, D.; Kovářová, Jana; Vargová, Z.

    2011-01-01

    Roč. 105, č. 2 (2011), s. 451-460 ISSN 1388-6150. [European Symposium on Thermal Analysis and Calorimetry /10./. Rotterdam, 22.08.2010-27.08.2010] Institutional research plan: CEZ:AV0Z40500505 Keywords : zinc 2-bromobenzoate * spectral properties * thermal behaviour Subject RIV: CD - Macromolecular Chemistry Impact factor: 1.604, year: 2011

  17. Decomposition of thin titanium deuteride films: thermal desorption kinetics studies combined with microstructure analysis

    NARCIS (Netherlands)

    Lisowski, W.F.; Keim, Enrico G.; Kaszkur, Zbigniew; Smithers, M.A.; Smithers, Mark A.

    2008-01-01

    The thermal evolution of deuterium from thin titanium films, prepared under UHV conditions and deuterated in situ at room temperature, has been studied by means of thermal desorption mass spectrometry (TDMS) and a combination of scanning electron microscopy (SEM), transmission electron microscopy

  18. A vacuum ultraviolet photoionization study on the thermal decomposition of ammonium perchlorate

    Science.gov (United States)

    Góbi, Sándor; Zhao, Long; Xu, Bo; Ablikim, Utuq; Ahmed, Musahid; Kaiser, Ralf I.

    2018-01-01

    Pyrolysis products of ammonium perchlorate (NH4ClO4) at 483 K were monitored on line and in situ via single photon photoionization reflectron time-of-flight spectrometry (PI-ReTOF-MS) in the photon energy range of 9.00-17.50 eV. The photoionization efficiency curves (PIE) of the subliming product molecules were collected and allowed for detection of three class of products containing chlorine, nitrogen, and oxygen including atoms and free radicals. These results suggest a new insight into possible low-temperature decomposition pathways of NH4ClO4.

  19. 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.

  20. Study of mechanical and thermal properties of soy flour elastomers

    Science.gov (United States)

    Allen, Kendra Alicia

    Bio-based plastics are becoming viable alternatives to petroleum-based plastics because they decrease dependence on petroleum derivatives and are more environmentally friendly. Raw materials such as soy flour are widely available, low cost, lightweight, stiffness and have high strength characteristics, but weak interfacial adhesion between the soy flour and the polymer poses a challenge. In this study, soy flour was utilized as a filler in thermoplastic elastomer composites. A surface modification called acetylation was investigated at soy flour concentrations of 10 wt%, 15 wt% and 20 wt%. The mechanical properties of the composites were then compared to that of elastomers without a filler. Chemical characterization of the acetylated soy flour was attempted in order to understand what occurs during the reaction and after completion. In the range of tests, soy flour loadings were observed to be inversely proportional to tensile strength for both the untreated and treated soy flour. However, the acetylated soy flour at 10 wt% concentration performed comparable to that of the neat rubber and resulted in an increase in tensile strength. Unexpectedly, the acetylation reaction increased elongation, which reduced stress within the composite and is believed to increase the adhesion of the soy flour to that of the elastomer. In the nuclear magnetic resonance (SS-NMR), the intensity for the treated soy flour was larger than that of the untreated soy flour for the acetyl groups that were attached to the soy flour, particularly, the carbonyl function group next to the deprotonated oxygen and the methyl group next to the carbonyl. Differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) indicated that the acetylated soy flour is slightly more thermally stable than the untreated soy flour. The treated soy flour also increased the decomposition temperature of the composite.

  1. Molecular thermal transistor: Dimension analysis and mechanism

    Science.gov (United States)

    Behnia, S.; Panahinia, R.

    2018-04-01

    Recently, large challenge has been spent to realize high efficient thermal transistors. Outstanding properties of DNA make it as an excellent nano material in future technologies. In this paper, we introduced a high efficient DNA based thermal transistor. The thermal transistor operates when the system shows an increase in the thermal flux despite of decreasing temperature gradient. This is what called as negative differential thermal resistance (NDTR). Based on multifractal analysis, we could distinguish regions with NDTR state from non-NDTR state. Moreover, Based on dimension spectrum of the system, it is detected that NDTR state is accompanied by ballistic transport regime. The generalized correlation sum (analogous to specific heat) shows that an irregular decrease in the specific heat induces an increase in the mean free path (mfp) of phonons. This leads to the occurrence of NDTR.

  2. Mechanical-thermal synthesis of chromium carbides

    International Nuclear Information System (INIS)

    Cintho, Osvaldo Mitsuyuki; Favilla, Eliane Aparecida Peixoto; Capocchi, Jose Deodoro Trani

    2007-01-01

    The present investigation deals with the synthesis of chromium carbides (Cr 3 C 2 and Cr 7 C 3 ), starting from metallic chromium (obtained from the reduction of Cr 2 O 3 with Al) and carbon (graphite). The synthesis was carried out via high energy milling, followed by heat-treating of pellets made of different milled mixtures at 800 o C, for 2 h, under an atmosphere of argon. A SPEX CertPrep 8000 Mixer/Mill was used for milling under argon atmosphere. A tool steel vat and two 12.7 mm diameter chromium steel balls were used. The raw materials used and the products were characterized by differential thermal analysis, thermo gravimetric analysis, X-ray diffraction, electronic microscopy and X-ray fluorescence chemical analysis. The following variables were investigated: the quantity of carbon in the mixture, the milling time and the milling power. Mechanical activation of the reactant mixture depends upon the milling power ratio used for processing. The energy liberated by the reduction of the chromium oxide with aluminium exhibits a maximum for milling power ratio between 5:1 and 7.5:1. Self-propagating reaction occurred for all heat-treated samples whatever the carbon content of the sample and the milling power ratio used. Bearing carbon samples exhibited hollow shell structures after the reaction. The level of iron contamination of the milled samples was kept below 0.3% Fe. The self-propagated reaction caused high temperatures inside the samples as it may be seen by the occurrence of spherules, dendrites and whiskers. The carbon content determines the type of chromium carbide formed

  3. Signatures in magnetites formed by (Ca,Mg,Fe)CO3 thermal decomposition: Terrestrial and extraterrestrial implications

    Science.gov (United States)

    Jimenez-Lopez, Concepcion; Rodriguez-Navarro, Carlos; Rodriguez-Navarro, Alejandro; Perez-Gonzalez, Teresa; Bazylinski, Dennis A.; Lauer, Howard V.; Romanek, Christopher S.

    2012-06-01

    It has never been demonstrated whether magnetite synthesized through the heat-dependent decomposition of carbonate precursors retains the chemical and structural features of the carbonates. In this study, synthetic (Ca,Mg,Fe)CO3 was thermally decomposed by heating from 25 to 700 °C under 1 atm CO2, and by in situ exposure under vacuum to the electron beam of a transmission electron microscope. In both cases, the decomposition of the carbonate was topotactic and resulted in porous pseudomorphs composed of oriented aggregates of magnetite nanocrystals. Both calcium and magnesium were incorporated into nanophase magnetite, forming (Ca,Mg)-magnetites and (Ca,Mg)-ferrites when these elements were present in the parent material, thus preserving the chemical signature of the precursor. These results show that magnetites synthesized in this way acquire a chemical and structural inheritance from their carbonate precursor that indicates how they were produced. These results are not only important in the determination of the origin of chemically-impure, oriented nanophase magnetite crystals in general, but they also provide important insights into the origin of the large, euhedral, chemically-pure, [111]-elongated magnetites found within Ca-, Mg- and Fe-rich carbonates of the Martian meteorite ALH84001. Based on our experimental results, the chemically-pure magnetites within ALH84001 cannot be genetically related to the Ca-, Mg- and Fe-rich carbonate matrix within which they are embedded, and an alternative explanation for their occurrence is warranted.

  4. 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)

  5. Mechanical and thermal properties of phthalonitrile resin reinforced with silicon carbide particles

    International Nuclear Information System (INIS)

    Derradji, Mehdi; Ramdani, Noureddine; Zhang, Tong; Wang, Jun; Feng, Tian-tian; Wang, Hui; Liu, Wen-bin

    2015-01-01

    Highlights: • SiC microparticles improve the mechanical properties of phthalonitrile resin. • Excellent thermal stability achieved by adding SiC particles in phthalonitrile resin. • Adding 20 wt.% of SiC microparticles increases the T g by 38 °C. • Silane coupling agent can enhance the adhesion and dispersion of particles/matrix. - Abstract: A new type of composite based on phthalonitrile resin reinforced with silicon carbide (SiC) microparticles was prepared. For various weight ratios ranging between 0% and 20%, the effect of the micro-SiC particles on the mechanical and thermal properties has been studied. Results from thermal analysis revealed that the starting decomposition temperature and the residual weight were significantly improved upon adding the reinforcing phase. At the maximum micro-SiC loading, dynamic mechanical analysis (DMA) showed an important enhancement in both the storage modulus and glass transition temperature (T g ), reaching 3.1 GPa and 338 °C, respectively. The flexural strength and modulus as well as the microhardness were significantly enhanced by adding the microfillers. Tensile test revealed enhancements in the composites toughness upon adding the microparticles. Polarization optical microscope (POM) and scanning electron microscope (SEM) analysis confirmed that mechanical and thermal properties improvements are essentially attributed to the good dispersion and adhesion between the particles and the resin

  6. Bio-composites based on polypropylene reinforced with Almond Shells particles: Mechanical and thermal properties

    International Nuclear Information System (INIS)

    Essabir, H.; Nekhlaoui, S.; Malha, M.; Bensalah, M.O.; Arrakhiz, F.Z.; Qaiss, A.; Bouhfid, R.

    2013-01-01

    Highlights: • Almond Shells (ASs) particles have been used as reinforcement in polypropylene matrix. • The SEBS-g-MA has been used to improve the adhesion between matrix and particles. • The mechanical and thermal properties of the composite have been improved by the AS. - Abstract: In this work, Almond Shells (ASs) particles are used as reinforcement in a thermoplastic matrix as polypropylene (PP). Composites containing Almond Shells (ASs) particles with and without compatibilizer (maleic anhydride grafted polypropylene; SEBS-g-MA) for various particle content (5, 10, 15, 20, 25, 30 wt.%) was investigated by means of studying their mechanical, thermal and rheological properties. The composites were prepared in a twin-screw extruder and assessed by means of X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), tensile testing and Dynamic Mechanical Analysis (DMA). Results show a clear improvement in mechanical and rheological properties from the use of Almond Shells particles in the matrix without and with maleic anhydride compatibilizer, corresponding to a gain in Young’s modulus of 56.2% and 35% respectively, at 30 wt.% particle loading. Thermal analysis revealed that incorporation of particle in the composites resulted in increase in the initial thermal decomposition temperatures

  7. Ozone decomposition

    Directory of Open Access Journals (Sweden)

    Batakliev Todor

    2014-06-01

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

  8. 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.

  9. 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.

  10. Investigation of the thermal decomposition of magnesium–sodium nitrate pyrotechnic composition (SR-524 and the effect of accelerated aging

    Directory of Open Access Journals (Sweden)

    Zaheer-ud-din Babar

    2017-03-01

    Full Text Available The aging behavior of the pyrotechnics is influenced by the storage atmosphere and more specifically on the temperature and humidity levels. The investigated composition SR 524 is a military pyrotechnic composition that is used as a tracer. The accelerated aging of the SR 524 composition has been carried out at a temperature of 70 °C and relative humidity of 70 percent. The results indicate that there is significant change in the thermal behavior, kinetic parameters and the morphology of the aged composition. The decomposition temperature and the activation energy were found to be lowered in the aged composition. The activation energy of the aged composition decreased nearly 57 percent. SEM micrographs of the aged composition revealed the development of micro cracks as a result of accelerated aging. XRD spectra of the aged composition showed the presence of magnesium hydroxide indicating the reaction between magnesium and water vapors present in the highly humid atmosphere.

  11. 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.

  12. 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.

  13. 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.

  14. Methane-induced Activation Mechanism of Fused Ferric Oxide-Alumina Catalysts during Methane Decomposition

    KAUST Repository

    Reddy Enakonda, Linga

    2016-06-27

    Activation of Fe2O3-Al2O3 with CH4 (instead of H2) is a meaningful method to achieve catalytic methane decomposition (CMD). This reaction of CMD is more economic and simple against commercial methane steam reforming (MSR) as it produces COx-free H2. In this study, for the first time, structure changes of the catalyst were screened during CH4 reduction with time on stream. The aim was to optimize the pretreatment conditions through understanding the activation mechanism. Based on results from various characterization techniques, reduction of Fe2O3 by CH4 proceeds in three steps: Fe2O3→Fe3O4→FeO→Fe0. Once Fe0 is formed, it decomposes CH4 with formation of Fe3C, which is the crucial initiation step in the CMD process to initiate formation of multiwall carbon nanotubes. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Uranium oxide nanocrystals by microwave-assisted thermal decomposition. Electronic and structural properties

    International Nuclear Information System (INIS)

    Leduc, Jennifer; Mathur, Sanjay; Pacold, Joseph I.; Shuh, David K.; Dong, Chung-Li

    2018-01-01

    Uranium oxides have attracted much attention not only in the context of nuclear energy generation but also for their application as pristine catalysts or as supports for other (transition metal) oxides and (precious) metals. Their propensity to adopt high coordination numbers and manifest multiple oxidation states (from +II to +VI) makes them attractive candidates for catalyzed transformation reactions. Herein, we report a new synthesis route to phase-pure, crystalline UO 2 nanoparticles via microwave-assisted decomposition of a molecular uranium(IV) precursor. The electronic structure and optical absorption properties of these nanocrystals were investigated using spectroscopic methods to evaluate their suitability for photo(electro)catalytic applications. (copyright 2018 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  16. Uranium oxide nanocrystals by microwave-assisted thermal decomposition. Electronic and structural properties

    Energy Technology Data Exchange (ETDEWEB)

    Leduc, Jennifer; Mathur, Sanjay [Institute of Inorganic Chemistry, University of Cologne (Germany); Pacold, Joseph I.; Shuh, David K. [Chemical Sciences Division, The Glenn T. Seaborg Center, Lawrence Berkeley National Laboratory, Berkeley, CA (United States); Dong, Chung-Li [Department of Physics, Tamkang University, Tamsui, Taiwan (China)

    2018-01-17

    Uranium oxides have attracted much attention not only in the context of nuclear energy generation but also for their application as pristine catalysts or as supports for other (transition metal) oxides and (precious) metals. Their propensity to adopt high coordination numbers and manifest multiple oxidation states (from +II to +VI) makes them attractive candidates for catalyzed transformation reactions. Herein, we report a new synthesis route to phase-pure, crystalline UO{sub 2} nanoparticles via microwave-assisted decomposition of a molecular uranium(IV) precursor. The electronic structure and optical absorption properties of these nanocrystals were investigated using spectroscopic methods to evaluate their suitability for photo(electro)catalytic applications. (copyright 2018 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. 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.

  18. Transient thermal protection of film covering circular aperture by sublimation and weak decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Havstad, Mark A.; Miles, Robin R.; Hsieh, Henry, E-mail: hsieh6@llnl.gov

    2015-03-15

    Highlights: • Precise sublimating layers can provide protection in transient thermal environments. • Sensitivity analysis shows that the uncertainty in properties has modest influence. • It is likely that methane layers are a good choice for IFE targets. - Abstract: Unwanted heating of sensitive surfaces in harsh thermal environments can be prevented by precise application of sacrificial materials such as sublimation layers and pyrolyzing films. The use of sublimation for the protection of circular polyimide membranes subjected to brief (∼100 ms) heating by infrared radiation and hot (6000 K) inert gas convection is analyzed. Selection of sublimation material and sublimation layer and membrane thickness is considered with emphasis on providing sufficient thermal protection yet negligible unwanted material remaining at the end of a specified heating period. Though the analysis here is general, the motivation is protection of the polyimide films covering the laser entrance holes on IFE (inertial fusion energy) hohlraums being injected into the hot gas (xenon) protecting IFE reactor chambers. Both one and two dimensional thermal models are used to develop a robust thermal concept. Sensitivity analyses (SA) methods are exercised to show where the design may be vulnerable and which input parameters have the greatest effect on performance and likelihood of success. For the design and conditions considered, methane sublimating layers are probably preferred over xenon or pentane.

  19. Amorphization of Fe-based alloy via wet mechanical alloying assisted by PCA decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Neamţu, B.V., E-mail: Bogdan.Neamtu@stm.utcluj.ro [Materials Science and Engineering Department, Technical University of Cluj-Napoca, 103-105, Muncii Avenue, 400641, Cluj-Napoca (Romania); Chicinaş, H.F.; Marinca, T.F. [Materials Science and Engineering Department, Technical University of Cluj-Napoca, 103-105, Muncii Avenue, 400641, Cluj-Napoca (Romania); Isnard, O. [Université Grenoble Alpes, Institut NEEL, F-38042, Grenoble (France); CNRS, Institut NEEL, 25 rue des martyrs, BP166, F-38042, Grenoble (France); Pană, O. [National Institute for Research and Development of Isotopic and Molecular Technologies, 65-103 Donath Street, 400293, Cluj-Napoca (Romania); Chicinaş, I. [Materials Science and Engineering Department, Technical University of Cluj-Napoca, 103-105, Muncii Avenue, 400641, Cluj-Napoca (Romania)

    2016-11-01

    used as microalloying elements which could provide the required extra amount of metalloids. - Highlights: • Amorphization of Fe{sub 75}Si{sub 20}B{sub 5} alloy via wet mechanical alloying is assisted by PCA decomposition. • Powder amorphization was not achieved even after 140 de hours of dry MA. • Wet MA using different PCA leads to powder amorphization at different MA duration. • Regardless of PCA type, contamination with 2.3 wt% C is needed for amorphization.

  20. Effect of metal trifluoroacetates on the thermal decomposition of poly(methyl methacrylate)

    International Nuclear Information System (INIS)

    Mokrousov, G.M.; Gavrilenko, N.A.; Eremina, N.S.; Garber, N.G.

    2001-01-01

    Thermal stability of polymethylmethacrylate composition depending on introducing additives of alkali metal trifluoroacetates - Li(TFA), K(TFA), Na(TFA) was studied. Three stages of a mass lost were observed on the curves of thermogravimetry of polymethylmethacrylate modified by lithium, sodium and potassium trifluoroacetates. Activation energies of thermal oxidation destruction of polymethylmethacrylate modified by alkali metal trifluoroacetates were calculated and demonstrated. For lithium the electron donor fragments of competing molecules are constituents of coordination sphere of ion. This is possible on account of its comparatively small polarizing ability and does not lead to essential changing activation energy [ru

  1. Catalytic non-thermal plasma reactor for the decomposition of a ...

    Indian Academy of Sciences (India)

    diseases), hence has a negative impact on the environ- ment.1–4 Some of the well-established technologies for. VOC abatement are thermal and catalytic ... motor driven syringe pump and mixed with ambient air. (300 ml/min at STP) in a mixing chamber. Air flow was regulated by pre-calibrated mass flow controllers.

  2. Thermal decomposition of double selenates of lanthanides (III), yttrium (III) and ammonium

    International Nuclear Information System (INIS)

    Crespi, M.S.

    1989-01-01

    Double selenates of lanthanides, yttrium and ammonium were prepared by treating mixtures of simple selenates with equimolar amounts and then dried in a vacuum desiccator containing anhydrous calcium chloride, protected from light. The compounds were studied using the conventional analytical methods such as infrared absorption spectra, X-ray diffraction, differential thermal analysis (DTA), and thermogravimetry (TG). (author)

  3. 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

  4. 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.

  5. 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

  6. 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

  7. Study of thermal decomposition and characterization of uranium compounds by thermogravimetry and differential calorimetry

    Energy Technology Data Exchange (ETDEWEB)

    Dantas, J M; Abrao, A [Instituto de Pesquisas Energeticas e Nucleares, Sao Paulo (Brazil). Centro de Engenharia Quimica

    1980-01-01

    The thermal behaviour of different types of ammonium diuranates, produced in the pilot plants of Instituto de Pesquisas Energeticas e Nucleares (Sao Paulo, Brazil), is studied. It was observed that: the contents of absorption and crystallization waters, as well as the content of absorption ammonia vary as a function of drying conditions; the contents of occluded ammonium nitrate vary according to the washing step; ammonia contents vary as a function of pH and of the original solution - greater ammonia concentrations are observed when diuranates are precipitate in uranyl nitrate solutions at higher pH's (9.0). Thermal instability of the intermediate compound varies as a function of the type of the occluded ion, NO/sup -//sub 3/ or SO sup(=)/sub 4/. The thermoanalytical curves show that the diuranates obtained by continuous precipitation have a more reproducible chemical composition than those obtained by batch precipitation.

  8. Investigation of the thermal decomposition of a new titanium dioxide material

    Czech Academy of Sciences Publication Activity Database

    Palkovská, Monika; Slovák, V.; Šubrt, Jan; Boháček, Jaroslav; Barbieriková, Z.; Brezová, V.; Fajgar, Radek

    2016-01-01

    Roč. 125, č. 3 (2016), s. 1071-1078 ISSN 1388-6150 R&D Projects: GA ČR(CZ) GA14-20744S; GA MŠk(CZ) 7AMB14SK178 Institutional support: RVO:61388980 ; RVO:67985858 Keywords : Titanium dioxide * Rod-shaped structure * Thermal analysis * Evolved gas analysis * EPR spectroscopy Subject RIV: CA - Inorganic Chemistry; CF - Physical ; Theoretical Chemistry (UCHP-M) Impact factor: 1.953, year: 2016

  9. Human Wearable Attribute Recognition Using Probability-Map-Based Decomposition of Thermal Infrared Images

    OpenAIRE

    KRESNARAMAN, Brahmastro; KAWANISHI, Yasutomo; DEGUCHI, Daisuke; TAKAHASHI, Tomokazu; MEKADA, Yoshito; IDE, Ichiro; MURASE, Hiroshi

    2017-01-01

    This paper addresses the attribute recognition problem, a field of research that is dominated by studies in the visible spectrum. Only a few works are available in the thermal spectrum, which is fundamentally different from the visible one. This research performs recognition specifically on wearable attributes, such as glasses and masks. Usually these attributes are relatively small in size when compared with the human body, on top of a large intra-class variation of the human body itself, th...

  10. Decomposition of tar in gas from updraft gasifier by thermal cracking

    DEFF Research Database (Denmark)

    Brandt, Peder; Henriksen, Ulrik Birk

    2000-01-01

    Continuing earlier work with tar reduction by partial oxidation of pyrolysis gas [1] thermal cracking has been evaluated as a gas cleaning process. The work has been focusing on cleaning gas from updraft gasifiers, and the long term purpose is to develop a tar cleaning unit based on thermal...... cracking. An experimental set-up has been built, in which a flow of contaminated gas can be heated up to 1290°C in a reactor made of pure Al2O3. Four measurements were made. Three with gas from a pyrolysis unit simulating updraft gasifier, and one with gas from an updraft gasifier. Cracking temperatures...... was 1200, 1250 and 1290°C, and the residence time at this temperature was 0.5 second. The measurements show that at the selected residence time of 0.5 second, the gas flow in a thermal tar cracking unit has to be heated to at least 1250°C to achieve sufficient tar cleaning. At 1290°C, a tar content as low...

  11. Decomposition mechanism of trichloroethylene based on by-product distribution in the hybrid barrier discharge plasma process

    Energy Technology Data Exchange (ETDEWEB)

    Han, Sang-Bo [Industry Applications Research Laboratory, Korea Electrotechnology Research Institute, Changwon, Kyeongnam (Korea, Republic of); Oda, Tetsuji [Department of Electrical Engineering, The University of Tokyo, Tokyo 113-8656 (Japan)

    2007-05-15

    The hybrid barrier discharge plasma process combined with ozone decomposition catalysts was studied experimentally for decomposing dilute trichloroethylene (TCE). Based on the fundamental experiment for catalytic activities on ozone decomposition, MnO{sub 2} was selected for application in the main experiments for its higher catalytic abilities than other metal oxides. A lower initial TCE concentration existed in the working gas; the larger ozone concentration was generated from the barrier discharge plasma treatment. Near complete decomposition of dichloro-acetylchloride (DCAC) into Cl{sub 2} and CO{sub x} was observed for an initial TCE concentration of less than 250 ppm. C=C {pi} bond cleavage in TCE gave a carbon single bond of DCAC through oxidation reaction during the barrier discharge plasma treatment. Those DCAC were easily broken in the subsequent catalytic reaction. While changing oxygen concentration in working gas, oxygen radicals in the plasma space strongly reacted with precursors of DCAC compared with those of trichloro-acetaldehyde. A chlorine radical chain reaction is considered as a plausible decomposition mechanism in the barrier discharge plasma treatment. The potential energy of oxygen radicals at the surface of the catalyst is considered as an important factor in causing reactive chemical reactions.

  12. Analysis of the decomposition gases from α and β-Cd(BH4)2 synthesized by temperature controlled mechanical milling

    DEFF Research Database (Denmark)

    Blanchard, Didier; Zatti, Matteo; Vegge, Tejs

    2013-01-01

    We present a comprehensive study on the controlled phase synthesis and thermal decomposition of Cd(BH2)4, a material for solid state hydrogen storage obtained via the metathesis reaction of LiBH4 with CdCl2. By adjusting the stochiometry of the reactants and controlling the mechanical milling vial...... temperature, we have isolated the tetragonal (P42mn) low temperature phase and the cubic (View the MathML source) high temperature phase of the cadmium borohydride. Cd(BH2)4 has a low thermodynamic stability and decomposes with fast kinetic at 348 K, when heated at 1 K min−1 against a backpressure of 1 bar H2...

  13. Densely crosslinked polycarbosiloxanes .2. Thermal and mechanical properties

    NARCIS (Netherlands)

    Flipsen, T.A C; Derks, R.; van der Vegt, H.A.; Stenekes, R.; Pennings, A.J; Hadziioannou, G

    1997-01-01

    The thermal and mechanical properties of two densely crosslinked polycarbosiloxane systems were investigated in relation to the molecular structure. The networks were prepared from functional branched prepolymers and crosslinked via a hydrosilylation curing reaction. The prepolymers having only

  14. Thermal decomposition of solder flux activators under simulated wave soldering conditions

    DEFF Research Database (Denmark)

    Piotrowska, Kamila; Jellesen, Morten Stendahl; Ambat, Rajan

    2017-01-01

    /methodology/approach: Changes in the chemical structure of the activators were studied using Fourier transform infrared spectroscopy technique and were correlated to the exposure temperatures within the range of wave soldering process. The amount of residue left on the surface was estimated using standardized acid-base...... titration method as a function of temperature, time of exposure and the substrate material used. Findings: The study shows that there is a possibility of anhydride-like species formation during the thermal treatment of fluxes containing weak organic acids (WOAs) as activators (succinic and DL...

  15. Thermal decomposition of calcium aluminium phosphate of Thies. [Vaporization of uranium and phosphorus pentoxide

    Energy Technology Data Exchange (ETDEWEB)

    Allaf, K; Rouanet, A

    1984-01-01

    This study is related to the work on beneficiation of raw phosphates by thermal processing (selective vaporization). More precisely it deals with the ability of a calcium-aluminium phosphate (ores from Thies) to vaporize selectively as phosphorus pentoxide and uranium contents. Experiments are performed on liquid samples at Tsub(f)

  16. Chemical evolution studies: the radiolysis and thermal decomposition of malonic acid

    International Nuclear Information System (INIS)

    Cruz-Castaneda, J.; Negron-Mendoza, A.; Heredia, A.; Ramos-Bernal, S.; Villafane-Barajas, S.; Frias, D.; Colin-Garcia, M.

    2015-01-01

    In the context of chemical evolution a simulation of a hydrothermal vent was performed. The thermolysis and radiolysis of malonic acid in aqueous solution were studied. The thermolysis was done by heating the samples (95 deg C) and radiolysis using gamma radiation. Products were identified by gas chromatography and gas chromatography-mass spectrometry. The thermal treatment produced acetic acid and CO 2 . The radiolysis experiments yield carbon dioxide, acetic acid, and di- and tricarboxylic acids. A theoretical model of the chemical process occurring under irradiation was developed; this was able to reproduce formation of products and the consumption of malonic acid. (author)

  17. Decomposition mechanism of methylene blue caused by metallic iron-maghemite mixture

    Energy Technology Data Exchange (ETDEWEB)

    Kubuki, Shiro, E-mail: kubuki@tmu.ac.jp; Shibano, Koya; Akiyama, Kazuhiko [Tokyo Metropolitan University, Department of Chemistry, Graduate School of Science and Engineering (Japan); Homonnay, Zoltan; Kuzmann, Erno [Eoetvoes Lorand University, Laboratory of Nuclear Chemistry, Institute of Chemistry (Hungary); Ristic, Mira [Ruder Boskovic Institute, Division of Materials Chemistry (Croatia); Nishida, Tetsuaki [Kinki University, Department of Biological and Environmental Chemistry, Faculty of Humanity-Oriented Science and Engineering (Japan)

    2013-04-15

    Decomposition mechanism of methylene blue (MB) caused by a mixture of metallic iron-maghemite (Fe{sup 0}-{gamma}Fe{sub 2}O{sub 3}) was investigated by means of {sup 57}Fe-Moessbauer spectroscopy, X-ray diffractometry (XRD), Ultraviolet-Visible Absorption Spectroscopy (UV-vis) and electrospray-ionization mass spectroscopy (ESI-MS). Ten day-leaching test of 10 {mu}mol L{sup - 1} MB aqueous solution and Fe{sup 0}-{gamma}Fe{sub 2}O{sub 3} mixture (mass ratio 3:7) showed a decrease in the concentration from 10.5 to 4.45 {mu}mol L{sup - 1} with first-order rate constant (k) of 1.57 x 10 - 1 day - 1. An ESI-MS study of Fe{sup 0}-{gamma}Fe{sub 2}O{sub 3} mixture (3:7) after the leaching test revealed new peaks at m/z of 100, 110 and 137 due to fragmentation of MB, in addition to those observed at m/z of 284, 270 and 256 which were ascribed to MB, Azure B and Azure A, respectively. {sup 57}Fe-Moessbauer spectra of Fe{sup 0}-{gamma}Fe{sub 2}O{sub 3} mixture (3:7) resulted in a decrease in absorption area (A) for Fe{sup 0} ({delta} = 0.00{sub {+-}0.01} mm s{sup - 1}, H{sub int} = 33.0{sub {+-}0.1} T) from 37.5 to 21.3, 9.7, 7.9, 7.0 and 4.5{sub {+-}0.5} %, together with an increase in A from 0.0 to 5.0, 13.8, 17.2, 21.0 and 22.4{sub {+-}0.5} % for octahedral (O{sub h}) iron (Fe{sup II} + Fe{sup III}) of Fe{sub 3}O{sub 4}. XRD study of these samples indicated that the peak intensity at 2{Theta} of 44.7 Degree-Sign being ascribed to Fe{sup 0} was decreased, while that of 35.6 Degree-Sign due to Fe{sub 3}O{sub 4} was almost constant; relative peak ratio of Fe {sup 0}/Fe{sub 3} O{sub 4} was decreased from 26.3 to 2.76 after the leaching, indicating that Fe{sup 0} in the Fe{sup 0}-{gamma}Fe{sub 2}O{sub 3} mixture was oxidized to Fe{sub 3}O{sub 4}. These experimental results suggest that Fe{sup 0}-{gamma}Fe{sub 2}O{sub 3} mixture could be utilized for the cleaning or decomposition of toxic organic compounds like trichloroethylene.

  18. Thermal expansion and decomposition of jarosite: a high-temperature neutron diffraction study

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Hongwu [Los Alamos National Laboratory; Zhao, Yusheng [Los Alamos National Laboratory; Vogel, Sven C [Los Alamos National Laboratory; Hickmott, Donald D [Los Alamos National Laboratory; Daemen, Luke L [Los Alamos National Laboratory; Hartl, Monika A [Los Alamos National Laboratory

    2009-01-01

    The structure of deuterated jarosite, KFe{sub 3}(SO{sub 4}){sub 2}(OD){sub 6}, was investigated using time-of-flight neutron diffraction up to its dehydroxylation temperature. Rietveld analysis reveals that with increasing temperature, its c dimension expands at a rate {approx}10 times greater than that for a. This anisotropy of thermal expansion is due to rapid increase in the thickness of the (001) sheet of [Fe(O,OH){sub 6}] octahedra and [SO{sub 4}] tetrahedra with increasing temperature. Fitting of the measured cell volumes yields a coefficient of thermal expansion, a = a{sub 0} + a{sub 1} T, where a{sub 0} = 1.01 x 10{sup -4} K{sup -1} and a{sub 1} = -1.15 x 10{sup -7} K{sup -2}. On heating, the hydrogen bonds, O1{hor_ellipsis}D-O3, through which the (001) octahedral-tetrahedral sheets are held together, become weakened, as reflected by an increase in the D{hor_ellipsis}O1 distance and a concomitant decrease in the O3-D distance with increasing temperature. On further heating to 575 K, jarosite starts to decompose into nanocrystalline yavapaiite and hematite (as well as water vapor), a direct result of the breaking of the hydrogen bonds that hold the jarosite structure together.

  19. Thermal decomposition and kinetics of coal and fermented cornstalk using thermogravimetric analysis.

    Science.gov (United States)

    He, Yuyuan; Chang, Chun; Li, Pan; Han, Xiuli; Li, Hongliang; Fang, Shuqi; Chen, Junying; Ma, Xiaojian

    2018-07-01

    The thermal behavior and kinetics of Yiluo coal (YC) and the residues of fermented cornstalk (FC) were investigated in this study. The Kissinger-Akahira-Sunose (KAS) and Flynn-Wall-Ozawa (FWO) methods were used for the kinetic analysis of the pyrolysis process. The results showed that the activation energy (E α ) was increased with the increase of the thermal conversion rate (α), and the average values of E α of YC, FC and the blend (m YC /m FC  = 6/4) were 304.26, 224.94 and 233.46 kJ/mol, respectively. The order reaction model function for the blend was also developed by the master-plots method. By comparing the E a and the enthalpy, it was found that the blend was favored to format activated complex due to the lower potential energy barrier. Meanwhile, the average value of Gibbs free energy of the blend was 169.83 kJ/mol, and the changes of entropies indicated that the pyrolysis process was evolved from ordered-state to disordered-state. Copyright © 2018 Elsevier Ltd. All rights reserved.

  20. THERMAL DECOMPOSITION AND FLAMMABILITY OF ACRYLONITRILE-BUTADIENE-STYRENE/MULTI-WALLED CARBON NANOTUBES COMPOSITES

    Institute of Scientific and Technical Information of China (English)

    Li-fang Tong; Hai-yun Ma; Zheng-ping Fang

    2008-01-01

    Thermal and flammability properties of acrylonitrile-butadiene-styrene copolymer (ABS) with the addition of multi-walled carbon nanotubes (MWNTs) were studied. ABS/MWNTs composites were prepared via melt blending with the MWNTs content varied from 0.2% to 4.0% by mass. Thermogravimetry results showed that the addition of MWNTs accelerated the degradation of ABS during the whole process under air atmosphere, and both onset and maximum degradation temperature were lower than those of pure ABS. The destabilization effect of MWNTs on the thermal stability of the composites became unobvious under nitrogen, and the addition of MWNTs could improve the maximum degradation temperature. The heat release rate and time of ignition (tign) for the composites reduced greatly with the addition of MWNTs especially when the concentration of nanotubes was higher than 1.0%. The accumulation of carbon nanotubes with a network structure was observed and the char layer became thicker with increasing nanotubes concentration. Results from Raman spectra showed a higher degree of graphitization for the residues of ABS/MWNTs composites.

  1. Effect of the substitutional groups on the electrochemistry, kinetic of thermal decomposition and kinetic of substitution of some uranyl Schiff base complexes

    Energy Technology Data Exchange (ETDEWEB)

    Asadi, Zahra; Nasrollahi, Rahele; Ranjkeshshorkaei, Mohammad; Firuzabadi, Fahimeh Dehghani [Shiraz Univ. (Iran, Islamic Republic of). Chemistry Dept.; Dusek, Michal; Fejfarova, Karla [ASCR, Prague (Czech Republic). Inst. of Physics

    2016-05-15

    Uranyl(VI) complexes, [UO{sub 2}(X-saloph)(solvent)], where saloph denotes N,N{sup '}-bis(salicylidene)-1,2-phenylenediamine and X = NO{sub 2}, Cl, Me, H; were synthesized and characterized by 61H NMR, IR, UV-Vis spectroscopy, thermal gravimetry (TG), cyclic voltammetry, elemental analysis (C.H.N) and X-ray crystallography. X-ray crystallography of [UO{sub 2}(4-nitro-saloph)(DMF)] revealed coordination of the uranyl by the tetradentate Schiff base ligand and one solvent molecule, resulting in seven-coordinated uranium. The complex of [UO{sub 2}(4-nitro-saloph)(DMF)] was also synthesized in nano form. Transmission electron microscopy image showed nano-particles with sizes between 30 and 35 nm. The TG method and analysis of Coats-Redfern plots revealed that the kinetics of thermal decomposition of the complexes is of the first-order in all stages. The kinetics and mechanism of the exchange reaction of the coordinated solvent with tributylphosphine was investigated by spectrophotometric method. The second-order rate constants at four temperatures and the activation parameters showed an associative mechanism for all corresponding complexes with the following trend: 4-Nitro > 4-Cl > H > 4-Me. It was concluded that the steric and electronic properties of the complexes were important for the reaction rate. For analysis of anticancer properties of uranyl Schiff base complexes, cell culture and MTT assay was carried out. These results showed a reduction of jurkat cell line concentration across the complexes.

  2. Thermalized solutions, statistical mechanics and turbulence

    Indian Academy of Sciences (India)

    2015-02-20

    Feb 20, 2015 ... In this study, we examine the intriguing connection between turbulence and equilibrium statistical mechanics. There are several recent works which emphasize this connection. Thus in the last ... Current Issue : Vol. 90, Issue 6.

  3. Mechanical properties and thermal behaviour of LLDPE/MWNTs nanocomposites

    Directory of Open Access Journals (Sweden)

    Tai Jin-hua

    2012-12-01

    Full Text Available Multi-walled carbon nanotubes (MWNTs were incorporated into a linear low-density polyethylene (LLDPE matrix through using screw extrusion and injection technique. The effect of different weight percent loadings of MWNTs on the morphology, mechanical, and thermal of LLDPE/MWNTs nanocomposite had been investigated. It was found that, at low concentration of MWNTs, it could uniformly disperse into a linear low-density polyethylene matrix and provide LLDPE/MWNTs nanocomposites much improved mechanical properties. Thermal analysis showed that a clear improvement of thermal stability for LLDPE/MWNTs nanocomposites increased with increasing MWNTs content.

  4. Non-isothermal Crystallization, Thermal Stability, and Mechanical Performance of Poly(L-lactic acid/Barium Phenylphosphonate Systems

    Directory of Open Access Journals (Sweden)

    Cai Yan-Hua

    2017-11-01

    Full Text Available The introduction of a nucleating agent in semi-crystalline polymers is a frequently utilized way to improve the crystallization performance, and the use of a nucleating agent has a very great effect on the performance of the polymer in other areas including thermal stability and mechanical properties. In this investigation, barium phenylphosphonate (BaP was prepared as a crystallization accelerator for Poly(L-lactic acid (PLLA, and the non-isothermal crystallization behavior, thermal stability, and mechanical properties of PLLA modified by BaP were investigated using differential scanning calorimetry (DSC, X-ray diffraction (XRD, thermogravimetric analysis (TGA, and electronic tensile testing. Non-isothermal crystallization analysis showed that the BaP could significantly accelerate the crystallization of PLLA, and the non-isothermal crystallization peak shifted to a higher temperature with increasing concentration of BaP, however, the corresponding crystallization peak became wider. XRD results after non-isothermal crystallization confirmed the non-isothermal crystallization DSC results. Additionally, the addition of BaP did not change the crystal form of PLLA. A comparative study on thermal stability indicated that BaP decreased the onset decomposition temperature of PLLA, resulting from the formation of more tiny and imperfect crystals. Whereas the influence of BaP on the thermal decomposition profile of PLLA was negligible. In terms of mechanical properties, the tensile strength and elastic modulus of PLLA/BaP increased compared to the virgin PLLA, unfortunately, the elongation at break decreased.

  5. Thermal decomposition of poly(ethylene terephthalate)/mesoporous molecular sieve composites

    Institute of Scientific and Technical Information of China (English)

    RUN Mingtao; ZHANG Dayu; WU Sizhu; WU Gang

    2007-01-01

    The nonisothermal and isothermal degradation processesofpoly(ethyleneterephthalate)/mesoporous molecular sieve (PET/MMS) composites synthesized by insitu polymerization were studied by using thermogravimetric analysis in nitrogen.The nonisothermal degradation of the composite is found to be the first-order reaction.An isoconversional procedure developed by Ozawa is used to calculate the apparent activation energy (E),which is an average value of about 260 kJ/mol with the weight conversion from 0% to 30%,and is higher than that of neat PET.Isothermal degradation results are confirmed with the nonisothermal process,in which PET/MMS showed higher thermal stability than neat PET.The polymer in mesoporous channels has more stability due to the protection of the inorganic pore-wall.These results indicate that mesoporous MMS in PET/MMS composites improve the stability of the polymer.

  6. Thermal decomposition and Moessbauer analysis of two iron hydroxy-carbonate complexes

    International Nuclear Information System (INIS)

    Greaves, T.L.; Cashio, J.D.; Turney, T.

    2002-01-01

    Full text:The two iron hydroxy carbonate complexes (NH 4 ) 2 Fe 2 (OH) 4 (CO 3 ) 2 .H 2 O and (NH 4 ) 4 Fe 2 (OH) 4 (CO 3 ) 3 .3H 2 O were prepared by the method of Dvo a k and Feitknecht. Moessbauer spectra of the first sample at room temperature and 81K showed principally a ferric doublet with a small quadrupole splitting while spectra of the second sample showed a broad ferric doublet with a large mean quadrupole splitting of 1mm/s. Parameters for both spectra were characteristic of distorted octahedral coordination to oxygens. Thermal gravimetric analysis of both samples up to 750 K showed several fractions corresponding to the loss of the more volatile components

  7. Research on the thermal decomposition of Mongolian Baganuur lignite and Naryn sukhait bituminous coal

    Directory of Open Access Journals (Sweden)

    A. Ariunaa

    2016-03-01

    Full Text Available The technical characteristics, elemental composition of the organic and mineral matters, ash melting behaviors and carbonization and gasification reactivities of coals from Baganuur and Naryn sukhait deposits were investigated. The results of proximate and ultimate analysis confirmed that the coal from Baganuur deposit can be graded as a low rank lignite B2 mark coal and Naryn sukhait coal is a bituminous G mark one. The carbonization and gasification experiments were performed using TGA apparatus and fixed bed quartz reactor. The data obtained with two experimental reactors showed that Baganuur lignite had lower thermal stability and much higher CO2 gasification reactivity at 950°C as compared to those for Naryn sukhait bituminous coal.Mongolian Journal of Chemistry 16 (42, 2015, 22-29

  8. Thermal decomposition of electronic wastes: Mobile phone case and other parts

    International Nuclear Information System (INIS)

    Molto, Julia; Egea, Silvia; Conesa, Juan Antonio; Font, Rafael

    2011-01-01

    Highlights: → Pyrolysis and combustion of different parts of mobile phones produce important quantities of CO and CO 2 . → Naphthalene is the most abundant PAH obtained in the thermal treatment of mobile phones. → Higher combustion temperature increases the chlorinated species evolved. - Abstract: Pyrolysis and combustion runs at 850 o C in a horizontal laboratory furnace were carried out on different parts of a mobile phone (printed circuit board, mobile case and a mixture of both materials). The analyses of the carbon oxides, light hydrocarbons, polycyclic aromatic hydrocarbons (PAHs), polychlorodibenzo-p-dioxin, polychlorodibenzofurans (PCDD/Fs), and dioxin-like PCBs are shown. Regarding semivolatile compounds, phenol, styrene, and its derivatives had the highest yields. In nearly all the runs the same PAHs were identified, naphthalene being the most common component obtained. Combustion of the printed circuit board produced the highest emission factor of PCDD/Fs, possibly due to the high copper content.

  9. Major mechanisms contributing to the macrofauna-mediated slow down of litter decomposition

    Czech Academy of Sciences Publication Activity Database

    Frouz, Jan; Špaldoňová, A.; Lhotáková, Z.; Cajthaml, T.

    2015-01-01

    Roč. 91, December (2015), s. 23-31 ISSN 0038-0717 Grant - others:GA ČR(CZ) GAP504/12/1288 Program:GA Institutional support: RVO:60077344 Keywords : alkalinization * Bibio * CN ratio * litter decomposition * mineralization * pyrolysis Subject RIV: DF - Soil Science Impact factor: 4.152, year: 2015

  10. Methane-induced Activation Mechanism of Fused Ferric Oxide-Alumina Catalysts during Methane Decomposition

    KAUST Repository

    Reddy Enakonda, Linga; Zhou, Lu; Saih, Youssef; Ould-Chikh, Samy; Lopatin, Sergei; Gary, Daniel; Del-Gallo, Pascal; Basset, Jean-Marie

    2016-01-01

    Activation of Fe2O3-Al2O3 with CH4 (instead of H2) is a meaningful method to achieve catalytic methane decomposition (CMD). This reaction of CMD is more economic and simple against commercial methane steam reforming (MSR) as it produces COx-free H2

  11. On mechanism of chlorophos radiation-chemical decomposition in aqueous solutions

    International Nuclear Information System (INIS)

    Danilin, D.I.; Shubin, V.N.

    1992-01-01

    Quantitative indices of chlorophos decomposition in a aqueous solution and in solutions with a number of additions are studied. Chlorine ions and substances containing the carbonyl group are found among the products of gamma-irradiation of low-concentration chlorophos solutions. The data supporting the running of radiation destructive reactions of reduction nature rather than oxidation type, are presented

  12. 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

  13. Combined TGA-MS kinetic analysis of multistep processes. Thermal decomposition and ceramification of polysilazane and polysiloxane preceramic polymers.

    Science.gov (United States)

    García-Garrido, C; Sánchez-Jiménez, P E; Pérez-Maqueda, L A; Perejón, A; Criado, José M

    2016-10-26

    The polymer-to-ceramic transformation kinetics of two widely employed ceramic precursors, 1,3,5,7-tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane (TTCS) and polyureamethylvinylsilazane (CERASET), have been investigated using coupled thermogravimetry and mass spectrometry (TG-MS), Raman, XRD and FTIR. The thermally induced decomposition of the pre-ceramic polymer is the critical step in the synthesis of polymer derived ceramics (PDCs) and accurate kinetic modeling is key to attaining a complete understanding of the underlying process and to attempt any behavior predictions. However, obtaining a precise kinetic description of processes of such complexity, consisting of several largely overlapping physico-chemical processes comprising the cleavage of the starting polymeric network and the release of organic moieties, is extremely difficult. Here, by using the evolved gases detected by MS as a guide it has been possible to determine the number of steps that compose the overall process, which was subsequently resolved using a semiempirical deconvolution method based on the Frasier-Suzuki function. Such a function is more appropriate that the more usual Gaussian or Lorentzian functions since it takes into account the intrinsic asymmetry of kinetic curves. Then, the kinetic parameters of each constituent step were independently determined using both model-free and model-fitting procedures, and it was found that the processes obey mostly diffusion models which can be attributed to the diffusion of the released gases through the solid matrix. The validity of the obtained kinetic parameters was tested not only by the successful reconstruction of the original experimental curves, but also by predicting the kinetic curves of the overall processes yielded by different thermal schedules and by a mixed TTCS-CERASET precursor.

  14. Hexagonal ZnO porous plates prepared from microwave synthesized layered zinc hydroxide sulphate via thermal decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Machovsky, Michal, E-mail: machovsky@ft.utb.cz [Centre of Polymer Systems, University Institute, Tomas Bata University in Zlin, Nad Ovcirnou 3685, 760 01 Zlin (Czech Republic); Polymer Centre, Faculty of Technology, Tomas Bata University in Zlin, Nam. T.G. Masaryka 275, 762 72 Zlin (Czech Republic); Kuritka, Ivo, E-mail: ivo@kuritka.net [Centre of Polymer Systems, University Institute, Tomas Bata University in Zlin, Nad Ovcirnou 3685, 760 01 Zlin (Czech Republic); Polymer Centre, Faculty of Technology, Tomas Bata University in Zlin, Nam. T.G. Masaryka 275, 762 72 Zlin (Czech Republic); Sedlak, Jakub, E-mail: j1sedlak@ft.utb.cz [Centre of Polymer Systems, University Institute, Tomas Bata University in Zlin, Nad Ovcirnou 3685, 760 01 Zlin (Czech Republic); Polymer Centre, Faculty of Technology, Tomas Bata University in Zlin, Nam. T.G. Masaryka 275, 762 72 Zlin (Czech Republic); Pastorek, Miroslav, E-mail: pastorek@ft.utb.cz [Centre of Polymer Systems, University Institute, Tomas Bata University in Zlin, Nad Ovcirnou 3685, 760 01 Zlin (Czech Republic); Department of Polymer Engineering, Faculty of Technology, Tomas Bata University in Zlin, Nam. T.G. Masaryka 275, 762 72 Zlin (Czech Republic)

    2013-10-15

    Graphical abstract: - Highlights: • Zinc hydroxy sulphate was synthesized in 3 min via microwave hydrothermal route. • Zinc hydroxy sulphate was converted into mesh like porous ZnO by calcining at 900°. • The process of transformation is topotactic. - Abstract: Layered zinc hydroxide sulphate (ZHS) was prepared by microwave-assisted hydrothermal precipitation of zinc sulphate monohydrate with hexamethylenetetramine. Under ambient conditions, the structure of ZHS determined by X-ray diffraction (XRD) was found to be a mixture of zinc hydroxide sulphate pentahydrate Zn{sub 4}SO{sub 4}(OH){sub 6}·5H{sub 2}O and tetrahydrate Zn{sub 4}SO{sub 4}(OH){sub 6}·4H{sub 2}O. Fourier transform infrared (FTIR) spectroscopy was used for characterization of the prepared materials. Based on the interpretation of ZHS's thermal decomposition profile obtained by thermogravimetric analysis, ZnO of high purity was prepared by calcination at 900 °C for 2 h. The structure of the resulting ZnO was confirmed by the XRD. The morphology examination by scanning electron microscopy revealed a porous mesh-like ZnO structure developed from the ZHS precursor at the expense of mass removal due to the release of water and sulphate during the calcination.

  15. 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.

  16. Activity of nanosized titania synthesized from thermal decomposition of titanium (IV n-butoxide for the photocatalytic degradation of diuron

    Directory of Open Access Journals (Sweden)

    Jitlada Klongdee, Wansiri Petchkroh, Kosin Phuempoonsathaporn, Piyasan Praserthdam, Alisa S. Vangnai and Varong Pavarajarn

    2005-01-01

    Full Text Available Nanoparticles of anatase titania were synthesized by the thermal decomposition of titanium (IV n-butoxide in 1,4-butanediol. The powder obtained was characterized by various characterization techniques, such as XRD, BET, SEM and TEM, to confirm that it was a collection of single crystal anatase with particle size smaller than 15 nm. The synthesized titania was employed as catalyst for the photodegradation of diuron, a herbicide belonging to the phenylurea family, which has been considered as a biologically active pollutant in soil and water. Although diuron is chemically stable, degradation of diuron by photocatalyzed oxidation was found possible. The conversions achieved by titania prepared were in the range of 70–80% within 6 h of reaction, using standard UV lamps, while over 99% conversion was achieved under solar irradiation. The photocatalytic activity was compared with that of the Japanese Reference Catalyst (JRC-TIO-1 titania from the Catalysis Society of Japan. The synthesized titania exhibited higher rate and efficiency in diuron degradation than reference catalyst. The results from the investigations by controlling various reaction parameters, such as oxygen dissolved in the solution, diuron concentration, as well as light source, suggested that the enhanced photocatalytic activity was the result from higher crystallinity of the synthesized titania.

  17. 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)

  18. Basic properties of the mixed oxides obtained by thermal decomposition of hydrotalcites containing different metallic compositions

    Energy Technology Data Exchange (ETDEWEB)

    Valente, J.S.; Figueras, F.; Gravelle, M.; Kumbhar, P.; Lopez, J.; Besse, J.P.

    2000-01-25

    Carbonated layered double hydroxides (LDHs) containing Al, Fe, or Cr in a Mg(OH){sub 2} matrix or Al dissolved in hydroxides of Mg, Cu, Ni, Co, or Zn are used as precursors of basic catalysts. Decarbonation is studied by thermal analysis. The average basic strength, evaluated by the decarbonation temperature, is related to the partial charge of oxygen in the LDHs obtained from the Sanderson theory of electronegativity. The enthalpy of adsorption of CO{sub 2} on the resulting mixed oxides is measured by calorimetry. A homogeneous surface is generally observed for CO{sub 2} adsorption, with initial heats of adsorption close to those reported for MgO. The number of sites determined by this method is proportional to the rate constants for {beta}-isophorone isomerization, suggesting that both techniques measure surface properties. The layered structure in which OH{sup {minus}} is the compensating anion can be re-formed by hydration. This process does not appreciably change the adsorption of CO{sub 2}; thus, oxygens and hydroxyls show similar basic strengths in this case.

  19. Preparation of CL-20 Explosive Nanoparticles and Their Thermal Decomposition Property

    Directory of Open Access Journals (Sweden)

    Dunju Wang

    2016-01-01

    Full Text Available Herein, we develop a novel method for preparing nanohexanitrohexaazaisowurtzitane (nano-CL-20 via ultrasonic spray-assisted electrostatic adsorption (USEA technology. Various experimental conditions which influence safety factors and the crystallization process were studied. Meanwhile, the prepared nano-CL-20 particles were characterized by field emission scanning electron microscopy (FE-SEM, X-ray diffraction (XRD, and Fourier transform infrared (FT-IR spectroscopy. The results show that the obtained nano-CL-20 showed a wide size distribution in the range from 150 to 600 nm with an average of 270 nm. Moreover, their thermal properties were also investigated by differential scanning calorimetry (DSC and thermogravimetry (TG. For nano-CL-20, the exothermal peak is 232.9°C increased by 12°C compared with conventionally manufactured (CM CL-20, and they exhibit fast energy release efficiency as well as more energy release. The simple and continuous approach presented here is expected to be an attractive potential for fabricating other organic nanoparticles.

  20. Rapid hydrogen gas generation using reactive thermal decomposition of uranium hydride.

    Energy Technology Data Exchange (ETDEWEB)

    Kanouff, Michael P.; Van Blarigan, Peter; Robinson, David B.; Shugard, Andrew D.; Gharagozloo, Patricia E.; Buffleben, George M.; James, Scott Carlton; Mills, Bernice E.

    2011-09-01

    Oxygen gas injection has been studied as one method for rapidly generating hydrogen gas from a uranium hydride storage system. Small scale reactors, 2.9 g UH{sub 3}, were used to study the process experimentally. Complimentary numerical simulations were used to better characterize and understand the strongly coupled chemical and thermal transport processes controlling hydrogen gas liberation. The results indicate that UH{sub 3} and O{sub 2} are sufficiently reactive to enable a well designed system to release gram quantities of hydrogen in {approx} 2 seconds over a broad temperature range. The major system-design challenge appears to be heat management. In addition to the oxidation tests, H/D isotope exchange experiments were performed. The rate limiting step in the overall gas-to-particle exchange process was found to be hydrogen diffusion in the {approx}0.5 {mu}m hydride particles. The experiments generated a set of high quality experimental data; from which effective intra-particle diffusion coefficients can be inferred.

  1. Clean thermal decomposition of tertiary-alkyl metal thiolates to metal sulfides: environmentally-benign, non-polar inks for solution-processed chalcopyrite solar cells

    Science.gov (United States)

    Heo, Jungwoo; Kim, Gi-Hwan; Jeong, Jaeki; Yoon, Yung Jin; Seo, Jung Hwa; Walker, Bright; Kim, Jin Young

    2016-11-01

    We report the preparation of Cu2S, In2S3, CuInS2 and Cu(In,Ga)S2 semiconducting films via the spin coating and annealing of soluble tertiary-alkyl thiolate complexes. The thiolate compounds are readily prepared via the reaction of metal bases and tertiary-alkyl thiols. The thiolate complexes are soluble in common organic solvents and can be solution processed by spin coating to yield thin films. Upon thermal annealing in the range of 200-400 °C, the tertiary-alkyl thiolates decompose cleanly to yield volatile dialkyl sulfides and metal sulfide films which are free of organic residue. Analysis of the reaction byproducts strongly suggests that the decomposition proceeds via an SN1 mechanism. The composition of the films can be controlled by adjusting the amount of each metal thiolate used in the precursor solution yielding bandgaps in the range of 1.2 to 3.3 eV. The films form functioning p-n junctions when deposited in contact with CdS films prepared by the same method. Functioning solar cells are observed when such p-n junctions are prepared on transparent conducting substrates and finished by depositing electrodes with appropriate work functions. This method enables the fabrication of metal chalcogenide films on a large scale via a simple and chemically clear process.

  2. Mechanical and Thermal Properties of the AH of FRW Universe

    International Nuclear Information System (INIS)

    Yi-Huan, Wei

    2010-01-01

    We calculate the work made out by the apparent horizon (AH) of the Friedmann–Robertson–Walker (FRW) universe and the heat flux through the AH from the first law of thermodynamics. We discuss the mechanical properties of the AH and analyze the universe model for which the mechanical properties can change. Finally, the thermal properties of the AH of FRW universe are discussed

  3. 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

  4. Car-Parrinello molecular dynamics study of the thermal decomposition of sodium fulminate.

    Science.gov (United States)

    Damianos, Konstantina; Frank, Irmgard

    2010-07-19

    Depending on the metal cation, metal fulminates exhibit a characteristic sensitivity with respect to heat and mechanical stress. In the present paper we study the high-temperature reactions of bulk sodium fulminate using Car-Parrinello molecular dynamics simulations. We find that the initiating reaction is the formation of the fulminate dimer, while in earlier studies an electron transfer was assumed to be the first reaction step. The initial carbon--carbon bond formation is followed by fast consecutive reactions leading to polymerisation. The resulting species remain charged on the timescale of the simulations.

  5. 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.

  6. HEAVY AND THERMAL OIL RECOVERY PRODUCTION MECHANISMS

    Energy Technology Data Exchange (ETDEWEB)

    Anthony R. Kovscek; Louis M. Castanier

    2002-09-30

    The Stanford University Petroleum Research Institute (SUPRI-A) conducts a broad spectrum of research intended to help improve the recovery efficiency from difficult to produce reservoirs including heavy oil and fractured low permeability systems. Our scope of work is relevant across near-, mid-, and long-term time frames. The primary functions of the group are to conduct direction-setting research, transfer research results to industry, and educate and train students for careers in industry. Presently, research in SUPRI-A is divided into 5 main project areas. These projects and their goals include: (1) Multiphase flow and rock properties--to develop better understanding of the physics of displacement in porous media through experiment and theory. This category includes work on imbibition, flow in fractured media, and the effect of temperature on relative permeability and capillary pressure. (2) Hot fluid injection--to improve the application of nonconventional wells for enhanced oil recovery and elucidate the mechanisms of steamdrive in low permeability, fractured porous media. (3) Mechanisms of primary heavy oil recovery--to develop a mechanistic understanding of so-called ''foamy oil'' and its associated physical chemistry. (4) In-situ combustion--to evaluate the effect of different reservoir parameters on the insitu combustion process. (5) Reservoir definition--to develop and improve techniques for evaluating formation properties from production information. What follows is a report on activities for the past year. Significant progress was made in all areas.

  7. Mechanical property degradation and microstructural evolution of cast austenitic stainless steels under short-term thermal aging

    Science.gov (United States)

    Lach, Timothy G.; Byun, Thak Sang; Leonard, Keith J.

    2017-12-01

    Mechanical testing and microstructural characterization were performed on short-term thermally aged cast austenitic stainless steels (CASS) to understand the severity and mechanisms of thermal-aging degradation experienced during extended operation of light water reactor (LWR) coolant systems. Four CASS materials-CF3, CF3M, CF8, and CF8M-were thermally aged for 1500 h at 290 °C, 330 °C, 360 °C, and 400 °C. All four alloys experienced insignificant change in strength and ductility properties but a significant reduction in absorbed impact energy. The primary microstructural and compositional changes during thermal aging were spinodal decomposition of the δ-ferrite into α/α‧, precipitation of G-phase in the δ-ferrite, segregation of solute to the austenite/ferrite interphase boundary, and growth of M23C6 carbides on the austenite/ferrite interphase boundary. These changes were shown to be highly dependent on chemical composition, particularly the concentration of C and Mo, and aging temperature. The low C, high Mo CF3M alloys experienced the most spinodal decomposition and G-phase precipitation coinciding the largest reduction in impact properties.

  8. Mechanism of dark decomposition of iodine donor in the active medium of a pulsed chemical oxygen - iodine laser

    International Nuclear Information System (INIS)

    Andreeva, Tamara L; Kuznetsova, S V; Maslov, A I; Sorokin, Vadim N

    2002-01-01

    A scheme is proposed that describes the dark decomposition of iodide - the donor of iodine - and the relaxation of singlet oxygen in the chlorine-containing active medium of a pulsed chemical oxygen - iodine laser (COIL). For typical compositions of the active media of pulsed COILs utilising CH 3 I molecules as iodine donors, a branching chain reaction of the CH 3 I decomposition accompanied by the efficient dissipation of singlet oxygen is shown to develop even at the stage of filling the active volume. In the active media with CF 3 I as the donor, a similar chain reaction is retarded due to the decay of CF 3 radicals upon recombination with oxygen. The validity of this mechanism is confirmed by a rather good agreement between the results of calculations and the available experimental data. The chain decomposition of alkyliodides accompanied by an avalanche production of iodine atoms represents a new way of efficient chemical production of iodine for a COIL. (active media)

  9. Active sites and mechanisms for H2O2 decomposition over Pd catalysts

    Science.gov (United States)

    Plauck, Anthony; Stangland, Eric E.; Dumesic, James A.; Mavrikakis, Manos

    2016-01-01

    A combination of periodic, self-consistent density functional theory (DFT-GGA-PW91) calculations, reaction kinetics experiments on a SiO2-supported Pd catalyst, and mean-field microkinetic modeling are used to probe key aspects of H2O2 decomposition on Pd in the absence of cofeeding H2. We conclude that both Pd(111) and OH-partially covered Pd(100) surfaces represent the nature of the active site for H2O2 decomposition on the supported Pd catalyst reasonably well. Furthermore, all reaction flux in the closed catalytic cycle is predicted to flow through an O–O bond scission step in either H2O2 or OOH, followed by rapid H-transfer steps to produce the H2O and O2 products. The barrier for O–O bond scission is sensitive to Pd surface structure and is concluded to be the central parameter governing H2O2 decomposition activity. PMID:27006504

  10. 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

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. Thermal and mechanical behaviour of sub micron sized fly ash reinforced polyester resin composite

    Science.gov (United States)

    Nantha Kumar, P.; Rajadurai, A.; Muthuramalingam, T.

    2018-04-01

    The utilization of particles reinforced resin matrix composites is being increased owing to its lower density and high strength to weight ratio. In the present study, an attempt has been made to synthesize fly ash particles reinforced polyester resin composite for engine cowling application. The thermal stability and mechanical behaviours such as hardness and flexural strength of the composite with 2, 3 and 4 weight % of reinforcement is studied and analyzed. The thermo gravimetric analysis indicates that the higher addition of reinforcement increases the decomposition temperature due to its refractory nature. It is also observed that the hardness increases with higher filler addition owing to the resistance of FA particles towards penetration. The flexural strength is found to increase up to the addition of 3% of FA particles, whereas the polyester resin composite prepared with 4% FA particles addition is observed to have low flexural strength owing to agglomeration of particles.

  16. Thermal and mechanical stresses in a functionally graded thick sphere

    International Nuclear Information System (INIS)

    Eslami, M.R.; Babaei, M.H.; Poultangari, R.

    2005-01-01

    In this paper, a general solution for the one-dimensional steady-state thermal and mechanical stresses in a hollow thick sphere made of functionally graded material is presented. The temperature distribution is assumed to be a function of radius, with general thermal and mechanical boundary conditions on the inside and outside surfaces of the sphere. The material properties, except Poisson's ratio, are assumed to vary along the radius r according to a power law function. The analytical solution of the heat conduction equation and the Navier equation lead to the temperature profile, radial displacement, radial stress, and hoop stress as a function of radial direction

  17. Mechanics and thermal management of stretchable inorganic electronics.

    Science.gov (United States)

    Song, Jizhou; Feng, Xue; Huang, Yonggang

    2016-03-01

    Stretchable electronics enables lots of novel applications ranging from wearable electronics, curvilinear electronics to bio-integrated therapeutic devices that are not possible through conventional electronics that is rigid and flat in nature. One effective strategy to realize stretchable electronics exploits the design of inorganic semiconductor material in a stretchable format on an elastomeric substrate. In this review, we summarize the advances in mechanics and thermal management of stretchable electronics based on inorganic semiconductor materials. The mechanics and thermal models are very helpful in understanding the underlying physics associated with these systems, and they also provide design guidelines for the development of stretchable inorganic electronics.

  18. Mechanics and thermal management of stretchable inorganic electronics

    Science.gov (United States)

    Song, Jizhou; Feng, Xue; Huang, Yonggang

    2016-01-01

    Stretchable electronics enables lots of novel applications ranging from wearable electronics, curvilinear electronics to bio-integrated therapeutic devices that are not possible through conventional electronics that is rigid and flat in nature. One effective strategy to realize stretchable electronics exploits the design of inorganic semiconductor material in a stretchable format on an elastomeric substrate. In this review, we summarize the advances in mechanics and thermal management of stretchable electronics based on inorganic semiconductor materials. The mechanics and thermal models are very helpful in understanding the underlying physics associated with these systems, and they also provide design guidelines for the development of stretchable inorganic electronics. PMID:27547485

  19. Dependence of Glass Mechanical Properties on Thermal and Pressure History

    DEFF Research Database (Denmark)

    Smedskjær, Morten Mattrup; Bauchy, Mathieu

    Predicting the properties of new glasses prior to manufacturing is a topic attracting great industrial and scientific interest. Mechanical properties are currently of particular interest given the increasing demand for stronger, thinner, and more flexible glasses in recent years. However, as a non......-equilibrium material, the structure and properties of glass depend not only on its composition, but also on its thermal and pressure histories. Here we review our recent findings regarding the thermal and pressure history dependence of indentation-derived mechanical properties of oxide glasses....

  20. Demonstration test results of organic materials' volumetric reduction using bio-ethanol, thermal decomposition and burning

    International Nuclear Information System (INIS)

    Tagawa, Akihiro; Watanabe, Masahisa

    2013-01-01

    To discover technologies that can be utilized for decontamination work and verify their effects, economic feasibility, safety, and other factors, the Ministry of the Environment launched the 'FY2011 Decontamination Technology Demonstrations Project' to publicly solicit decontamination technologies that would be verified in demonstration tests and adopted 22 candidates. JAEA was commissioned by the Ministry of the Environment to provide technical assistance related to these demonstrations. This paper describes the volume reduction due to bio-ethanol, thermal decomposition and burning of organic materials in this report. The purpose of this study is that to evaluate a technique that can be used as biomass energy source, while performing volume reduction of contamination organic matter generated by decontamination. An important point of volume reduction technology of contaminated organic matter, is to evaluate the mass balance in the system. Then, confirming the mass balance of radioactive material and where to stay is important. The things that are common to all technologies, are ensuring that the radioactive cesium is not released as exhaust gas, etc.. In addition, it evaluates the cost balance and energy balance in order to understand the applicability to the decontamination of volume reduction technology. The radioactive cesium remains in the carbides when organic materials are carbonized, and radioactive cesium does not transfer to bio-ethanol when organic materials are processed for bio-ethanol production. While plant operating costs are greater if radioactive materials need to be treated, if income is expected by business such as power generation, depreciation may be calculated over approximately 15 years. (authors)

  1. Shared Reed-Muller Decision Diagram Based Thermal-Aware AND-XOR Decomposition of Logic Circuits

    Directory of Open Access Journals (Sweden)

    Apangshu Das

    2016-01-01

    Full Text Available The increased number of complex functional units exerts high power-density within a very-large-scale integration (VLSI chip which results in overheating. Power-densities directly converge into temperature which reduces the yield of the circuit. An adverse effect of power-density reduction is the increase in area. So, there is a trade-off between area and power-density. In this paper, we introduce a Shared Reed-Muller Decision Diagram (SRMDD based on fixed polarity AND-XOR decomposition to represent multioutput Boolean functions. By recursively applying transformations and reductions, we obtained a compact SRMDD. A heuristic based on Genetic Algorithm (GA increases the sharing of product terms by judicious choice of polarity of input variables in SRMDD expansion and a suitable area and power-density trade-off has been enumerated. This is the first effort ever to incorporate the power-density as a measure of temperature estimation in AND-XOR expansion process. The results of logic synthesis are incorporated with physical design in CADENCE digital synthesis tool to obtain the floor-plan silicon area and power profile. The proposed thermal-aware synthesis has been validated by obtaining absolute temperature of the synthesized circuits using HotSpot tool. We have experimented with 29 benchmark circuits. The minimized AND-XOR circuit realization shows average savings up to 15.23% improvement in silicon area and up to 17.02% improvement in temperature over the sum-of-product (SOP based logic minimization.

  2. Terahertz time domain spectroscopy of amorphous and crystalline aluminum oxide nanostructures synthesized by thermal decomposition of AACH

    Energy Technology Data Exchange (ETDEWEB)

    Mehboob, Shoaib, E-mail: smehboob@pieas.edu.pk [National Center for Nanotechnology, Department of Metallurgy and Materials Engineering, Pakistan Institute of Engineering and Applied Sciences (PIEAS), Nilore 45650, Islamabad (Pakistan); Mehmood, Mazhar [National Center for Nanotechnology, Department of Metallurgy and Materials Engineering, Pakistan Institute of Engineering and Applied Sciences (PIEAS), Nilore 45650, Islamabad (Pakistan); Ahmed, Mushtaq [National Institute of Lasers and Optronics (NILOP), Nilore 45650, Islamabad (Pakistan); Ahmad, Jamil; Tanvir, Muhammad Tauseef [National Center for Nanotechnology, Department of Metallurgy and Materials Engineering, Pakistan Institute of Engineering and Applied Sciences (PIEAS), Nilore 45650, Islamabad (Pakistan); Ahmad, Izhar [National Institute of Lasers and Optronics (NILOP), Nilore 45650, Islamabad (Pakistan); Hassan, Syed Mujtaba ul [National Center for Nanotechnology, Department of Metallurgy and Materials Engineering, Pakistan Institute of Engineering and Applied Sciences (PIEAS), Nilore 45650, Islamabad (Pakistan)

    2017-04-15

    The objective of this work is to study the changes in optical and dielectric properties with the transformation of aluminum ammonium carbonate hydroxide (AACH) to α-alumina, using terahertz time domain spectroscopy (THz-TDS). The nanostructured AACH was synthesized by hydrothermal treatment of the raw chemicals at 140 °C for 12 h. This AACH was then calcined at different temperatures. The AACH was decomposed to amorphous phase at 400 °C and transformed to δ* + α-alumina at 1000 °C. Finally, the crystalline α-alumina was achieved at 1200 °C. X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopy were employed to identify the phases formed after calcination. The morphology of samples was studied using scanning electron microscopy (SEM), which revealed that the AACH sample had rod-like morphology which was retained in the calcined samples. THz-TDS measurements showed that AACH had lowest refractive index in the frequency range of measurements. The refractive index at 0.1 THZ increased from 2.41 for AACH to 2.58 for the amorphous phase and to 2.87 for the crystalline α-alumina. The real part of complex permittivity increased with the calcination temperature. Further, the absorption coefficient was highest for AACH, which reduced with calcination temperature. The amorphous phase had higher absorption coefficient than the crystalline alumina. - Highlights: • Aluminum oxide nanostructures were obtained by thermal decomposition of AACH. • Crystalline phases of aluminum oxide have higher refractive index than that of amorphous phase. • The removal of heavier ionic species led to the lower absorption of THz radiations.

  3. Integrated ensemble noise-reconstructed empirical mode decomposition for mechanical fault detection

    Science.gov (United States)

    Yuan, Jing; Ji, Feng; Gao, Yuan; Zhu, Jun; Wei, Chenjun; Zhou, Yu

    2018-05-01

    A new branch of fault detection is utilizing the noise such as enhancing, adding or estimating the noise so as to improve the signal-to-noise ratio (SNR) and extract the fault signatures. Hereinto, ensemble noise-reconstructed empirical mode decomposition (ENEMD) is a novel noise utilization method to ameliorate the mode mixing and denoised the intrinsic mode functions (IMFs). Despite the possibility of superior performance in detecting weak and multiple faults, the method still suffers from the major problems of the user-defined parameter and the powerless capability for a high SNR case. Hence, integrated ensemble noise-reconstructed empirical mode decomposition is proposed to overcome the drawbacks, improved by two noise estimation techniques for different SNRs as well as the noise estimation strategy. Independent from the artificial setup, the noise estimation by the minimax thresholding is improved for a low SNR case, which especially shows an outstanding interpretation for signature enhancement. For approximating the weak noise precisely, the noise estimation by the local reconfiguration using singular value decomposition (SVD) is proposed for a high SNR case, which is particularly powerful for reducing the mode mixing. Thereinto, the sliding window for projecting the phase space is optimally designed by the correlation minimization. Meanwhile, the reasonable singular order for the local reconfiguration to estimate the noise is determined by the inflection point of the increment trend of normalized singular entropy. Furthermore, the noise estimation strategy, i.e. the selection approaches of the two estimation techniques along with the critical case, is developed and discussed for different SNRs by means of the possible noise-only IMF family. The method is validated by the repeatable simulations to demonstrate the synthetical performance and especially confirm the capability of noise estimation. Finally, the method is applied to detect the local wear fault

  4. Thermal Stability, Combustion Behavior, and Mechanical Property in a Flame-Retardant Polypropylene System

    Directory of Open Access Journals (Sweden)

    Lili Wang

    2017-01-01

    Full Text Available In order to comprehensively improve the strength, toughness, flame retardancy, smoke suppression, and thermal stability of polypropylene (PP, layered double hydroxide (LDH Ni0.2Mg2.8Al–LDH was synthesized by a coprecipitation method coupled with the microwave-hydrothermal treatment. The X-ray diffraction (XRD, morphology, mechanical, thermal, and fire properties for PP composites containing 1 wt %–20 wt % Ni0.2Mg2.8Al–LDH were investigated. The cone calorimeter tests confirm that the peak heat release rate (pk–HRR of PP–20%LDH was decreased to 500 kW/m2 from the 1057 kW/m2 of PP. The pk–HRR, average mass loss rate (AMLR and effective heat of combustion (EHC analysis indicates that the condensed phase fire retardant mechanism of Ni0.2Mg2.8Al–LDH in the composites. The production rate and mean release yield of CO for composites gradually decrease as Ni0.2Mg2.8Al–LDH increases in the PP matrix. Thermal analysis indicates that the decomposition temperature for PP–5%LDH and PP–10%LDH is 34 °C higher than that of the pure PP. The mechanical tests reveal that the tensile strength of PP–1%LDH is 7.9 MPa higher than that of the pure PP. Furthermore, the elongation at break of PP–10%LDH is 361% higher than PP. In this work, the synthetic LDH Ni0.2Mg2.8Al–LDH can be used as a flame retardant, smoke suppressant, thermal stabilizer, reinforcing, and toughening agent of PP products.

  5. Thermal and mechanical cutting of concrete and steel

    International Nuclear Information System (INIS)

    Kloj, G.; Tittel, G.

    1984-01-01

    Various thermal and mechanical processes for dismantling radioactive large components and concrete structures were investigated in order to determine the optimal handling conditions and their respective efficiency. For the thermal processes, the separation of heavy concrete and steel components by means of oxygen lances, powder cutting, ocyacetylene cutting, and plasma cutting processes were tested. In order to gain the necessary data for designing filtering equipment with regard to use in nuclear power stations, the amount of dust deposition and particle size distribution for these thermal processes were measured. The largest particle size proportion occurs for a particle size of ca. 0.3 μm. For the mechanical processes, stationary saws were used. Due to the large dimensions of the components which are to be found in a nuclear installation, it is not possible to use such saws for the initial dismantling. These saws can be used for both low-alloy and austenitic types of steel, and for separating materials not containing iron. In order to compare the efficiency of the saws with that of the thermal processes, to some extent the same test pieces were used that were used for the thermal tests. The advantage of the saw technique in comparison to the thermal separation processes lies in that next to no gas or dust contamination can become released. Also, the amount of shavings produced (secondary waste) is low. Furthermore, some of the saws can be used under remote control

  6. Moessbauer and EXAFS studies of amorphous iron produced by thermal decomposition of carbonyl iron in liquid phase

    International Nuclear Information System (INIS)

    Nomura, Kiyoshi; Tanaka, Junichi; Ujihira, Yusuke; Takahashi, Tamotu; Uchida, Yasuzo

    1990-01-01

    Decomposition of iron carbonyl Fe(CO) 5 and Fe 2 (CO) 9 in liquid phase gave amorphous and crystalline iron powders in the absence and presence of catalyst, respectively. The hyperfine fields were large in amorphous phases prepared from Fe(CO) 5 than from Fe 2 (CO) 9 . Crystalline iron, iron carbide and a trace amount of Fe 3 O 4 were detected in the decomposition products of the amorphous phase prepared from Fe(CO) 5 , and iron carbide was mainly included in the decomposition products of the amorphous phase prepared from Fe 2 (CO) 9 . (orig.)

  7. Elastic-plastic fracture mechanics study of thermal shock cracking

    International Nuclear Information System (INIS)

    Hirano, K.; Kobayashi, H.; Nakazawa, H.

    1980-01-01

    This paper describes thermal shock experiments conducted on a nuclear pressure vessel steel (A533 Grade B Class 1), an AISI304 steel and a tool steel (JIS SKD62) using both a new thermal shock test facility and method. Analysis of their quasi-static thermal stress intensity factors is performed on the basis of linear-elastic fracture mechanics; and a thermal shock fracture toughness value, Ksub(tsc) is evaluated. Then elastic-plastic fracture toughness tests are carried out in the same high temperature range of the thermal shock experiment, and a relation between the stretched zone width, SZW, formed as a result of the fatigue precrack tip plastic blunting and the J-integral is clarified. An elastic-plastic thermal shock fracture toughness value, Jsub(tsc), is evaluated from a critical value of the stretched zone width, SZWsub(tsc), at the initiation of the thermal shock cracking by using the relation between SZW and J. The Jsub(tsc) value is compared with an elastic-plastic fracture toughness value, Jsub(Ic), and the difference between these Jsub(tsc) and Jsub(Ic) values is discussed on the basis of fractography. (author)

  8. Regulatory requirements to the thermal-hydraulic and thermal-mechanical computer codes

    International Nuclear Information System (INIS)

    Vitkova, M.; Kalchev, B.; Stefanova, S.

    2006-01-01

    The paper presents an overview of the regulatory requirements to the thermal-hydraulic and thermal-mechanical computer codes, which are used for safety assessment of the fuel design and the fuel utilization. Some requirements to the model development, verification and validation of the codes and analysis of code uncertainties are also define. Questions concerning Quality Assurance during development and implementation of the codes as well as preparation of a detailed verification and validation plan are briefly discussed

  9. A demodulating approach based on local mean decomposition and its applications in mechanical fault diagnosis

    International Nuclear Information System (INIS)

    Chen, Baojia; He, Zhengjia; Chen, Xuefeng; Cao, Hongrui; Cai, Gaigai; Zi, Yanyang

    2011-01-01

    Since machinery fault vibration signals are usually multicomponent modulation signals, how to decompose complex signals into a set of mono-components whose instantaneous frequency (IF) has physical sense has become a key issue. Local mean decomposition (LMD) is a new kind of time–frequency analysis approach which can decompose a signal adaptively into a set of product function (PF) components. In this paper, a modulation feature extraction method-based LMD is proposed. The envelope of a PF is the instantaneous amplitude (IA) and the derivative of the unwrapped phase of a purely flat frequency demodulated (FM) signal is the IF. The computed IF and IA are displayed together in the form of time–frequency representation (TFR). Modulation features can be extracted from the spectrum analysis of the IA and IF. In order to make the IF have physical meaning, the phase-unwrapping algorithm and IF processing method of extrema are presented in detail along with a simulation FM signal example. Besides, the dependence of the LMD method on the signal-to-noise ratio (SNR) is also investigated by analyzing synthetic signals which are added with Gaussian noise. As a result, the recommended critical SNRs for PF decomposition and IF extraction are given according to the practical application. Successful fault diagnosis on a rolling bearing and gear of locomotive bogies shows that LMD has better identification capacity for modulation signal processing and is very suitable for failure detection in rotating machinery

  10. Characterization of Thermal and Mechanical Impact on Aluminum Honeycomb Structures

    Science.gov (United States)

    Robinson, Christen M.

    2013-01-01

    This study supports NASA Kennedy Space Center's research in the area of intelligent thermal management systems and multifunctional thermal systems. This project addresses the evaluation of the mechanical and thermal properties of metallic cellular solid (MCS) materials; those that are lightweight; high strength, tunable, multifunctional and affordable. A portion of the work includes understanding the mechanical properties of honeycomb structured cellular solids upon impact testing under ambient, water-immersed, liquid nitrogen-cooled, and liquid nitrogen-immersed conditions. Additionally, this study will address characterization techniques of the aluminum honeycomb's ability to resist multiple high-rate loadings or impacts in varying environmental conditions, using various techniques for the quantitative and qualitative determination for commercial applicability.

  11. Flue Gas Desulfurization by Mechanically and Thermally Activated Sodium Bicarbonate

    OpenAIRE

    Walawska Barbara; Szymanek Arkadiusz; Pajdak Anna; Nowak Marzena

    2014-01-01

    This paper presents the results of study on structural parameters (particle size, surface area, pore volume) and the sorption ability of mechanically and thermally activated sodium bicarbonate. The sorption ability of the modified sorbent was evaluated by: partial and overall SO2 removal efficiency, conversion rate, normalized stoichiometric ratio (NSR). Sodium bicarbonate was mechanically activated by various grinding techniques, using three types of mills: fluid bed opposed jet mill, fine i...

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

    Science.gov (United States)

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

    2017-07-01

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

  13. Thermal and mechanical modelling of convergent plate margins

    NARCIS (Netherlands)

    van den Beukel, P.J.

    1990-01-01

    In this thesis, the thermal and mechanical structure of convergent plate margins will be investigated by means of numerical modelling. In addition, we will discuss the implications of modelling results for geological processes such as metamorphism or the break-up of a plate at a convergent plate

  14. Effect of high thermal expansion glass infiltration on mechanical ...

    Indian Academy of Sciences (India)

    This work studies the effect on the mechanical properties of alumina-10 wt% zirconia (3 mol% yttria stabilized) composite by infiltrating glass of a higher thermal expansion (soda lime glass) on the surface at high temperature. The glass improved the strength of composite at room temperature as well as at high temperature.

  15. Mechanical properties of clayey soils and thermal solicitations

    International Nuclear Information System (INIS)

    Boisson, J.Y.

    1992-01-01

    Changes in permeability and mechanical properties of three clayey soils with temperature have been studied by using a special oedometric cell. The action of a thermal solicitation on the fabric and the behavior of the samples is highlighted. 3 figs., 1 tab

  16. Thermal degradation mechanism of addition-cure liquid silicone rubber with urea-containing silane

    International Nuclear Information System (INIS)

    Fang, Weizhen; Zeng, Xingrong; Lai, Xuejun; Li, Hongqiang; Chen, Wanjuan; Zhang, Yajun

    2015-01-01

    Highlights: • The urea-containing silane was incorporated into addition-cure liquid silicone rubber (ALSR) via hydrosilylation reaction. • The thermal stability of the ALSR was improved by DEUPAS both in nitrogen and air • The TG–FTIR of evolved gases during degradation was performed. • The possible degradation mechanism of the ALSR samples was proposed. - Abstract: The reactive urea-containing silane, (γ-diethylureidopropyl) allyloxyethoxysilane (DEUPAS), was synthesized by the trans-etherification reaction. The chemical structure was characterized by Fourier transform infrared spectrometry (FTIR) and 1 H nuclear magnetic resonance spectrometry ( 1 H NMR). Subsequently, DEUPAS was incorporated into addition-cure liquid silicone rubber (ALSR) via hydrosilylation reaction. The thermal stability of the ALSR samples was investigated by thermogravimetry (TG) and thermogravimetry–Fourier transform infrared spectrometry (TG–FTIR). When DEUPAS was incorporated, the temperature of 10% weight loss and 20% weight loss under air atmosphere were respectively increased by 31 °C and 60 °C compared with those of the ALSR without DEUPAS. Meanwhile, the residual weight at 800 °C increased from 33.5% to 58.7%. It was found that the striking enhancement in thermal stability of the ALSR samples was likely attributed to the decomposition of the urea groups to isocyanic acid, which reacted with hydroxyl groups to inhibit the unzipping depolymerization

  17. Thermal degradation mechanism of addition-cure liquid silicone rubber with urea-containing silane

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Weizhen; Zeng, Xingrong, E-mail: psxrzeng@gmail.com; Lai, Xuejun; Li, Hongqiang; Chen, Wanjuan; Zhang, Yajun

    2015-04-10

    Highlights: • The urea-containing silane was incorporated into addition-cure liquid silicone rubber (ALSR) via hydrosilylation reaction. • The thermal stability of the ALSR was improved by DEUPAS both in nitrogen and air • The TG–FTIR of evolved gases during degradation was performed. • The possible degradation mechanism of the ALSR samples was proposed. - Abstract: The reactive urea-containing silane, (γ-diethylureidopropyl) allyloxyethoxysilane (DEUPAS), was synthesized by the trans-etherification reaction. The chemical structure was characterized by Fourier transform infrared spectrometry (FTIR) and {sup 1}H nuclear magnetic resonance spectrometry ({sup 1}H NMR). Subsequently, DEUPAS was incorporated into addition-cure liquid silicone rubber (ALSR) via hydrosilylation reaction. The thermal stability of the ALSR samples was investigated by thermogravimetry (TG) and thermogravimetry–Fourier transform infrared spectrometry (TG–FTIR). When DEUPAS was incorporated, the temperature of 10% weight loss and 20% weight loss under air atmosphere were respectively increased by 31 °C and 60 °C compared with those of the ALSR without DEUPAS. Meanwhile, the residual weight at 800 °C increased from 33.5% to 58.7%. It was found that the striking enhancement in thermal stability of the ALSR samples was likely attributed to the decomposition of the urea groups to isocyanic acid, which reacted with hydroxyl groups to inhibit the unzipping depolymerization.

  18. Integrating Thermal Tools Into the Mechanical Design Process

    Science.gov (United States)

    Tsuyuki, Glenn T.; Siebes, Georg; Novak, Keith S.; Kinsella, Gary M.

    1999-01-01

    The intent of mechanical design is to deliver a hardware product that meets or exceeds customer expectations, while reducing cycle time and cost. To this end, an integrated mechanical design process enables the idea of parallel development (concurrent engineering). This represents a shift from the traditional mechanical design process. With such a concurrent process, there are significant issues that have to be identified and addressed before re-engineering the mechanical design process to facilitate concurrent engineering. These issues also assist in the integration and re-engineering of the thermal design sub-process since it resides within the entire mechanical design process. With these issues in mind, a thermal design sub-process can be re-defined in a manner that has a higher probability of acceptance, thus enabling an integrated mechanical design process. However, the actual implementation is not always problem-free. Experience in applying the thermal design sub-process to actual situations provides the evidence for improvement, but more importantly, for judging the viability and feasibility of the sub-process.

  19. Response of mechanical properties of glasses to their chemical, thermal and mechanical histories

    DEFF Research Database (Denmark)

    Yue, Yuanzheng

    , surface, thermal history or excess entropy of the final glass state. Here I review recent progresses in understanding of the responses of mechanical properties of oxide glasses to the compositional variation, thermal history and mechanical deformation. The tensile strength, elastic modulus and hardness...... of glass fibers are dependent on the thermal history (measured as fictive temperature), tension, chemical composition and redox state. However, the fictive temperature affects the hardness of bulk glass in a complicated manner, i.e., the effect does not exhibit a clear regularity in the range...... and micro-cracks occurring during indentation of a glass is discussed briefly. Finally I describe the future perspectives and challenges in understanding responses of mechanical properties of oxide glasses to compositional variation, thermal history and mechanical deformation....

  20. 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.