A thermodynamic study of 1-propanol-glycerol-H2O at 25 degrees C: Effect of glycerol on molecular organization of H2O

DEFF Research Database (Denmark)

Parsons, M.T.; Westh, Peter; Davies, J.V.

2001-01-01

The excess chemical potential, partial molar enthalpy, and volume of 1-propanol were determined in ternary mixtures of 1-propanol-glycerol-H2O at 25degreesC. The mole fraction dependence of all these thermodynamic functions was used to elucidate the effect of glycerol on the molecular organization...... probability and, hence, the percolation nature of the hydrogen bond network is reduced. In addition, the degree of fluctuation inherent in liquid H2O is reduced by glycerol perhaps by participating in the hydrogen bond network via OH groups. At infinite dilution, the pair interaction coefficients in enthalpy...

Uranous nitrate production for purex process applications using PtO2 catalyst and H2/H2-gas mixtures

International Nuclear Information System (INIS)

Sreenivasa Rao, K.; Shyamali, R.; Narayan, C.V.; Patil, A.R.; Jambunathan, U.; Ramanujam, A.; Kansara, V.P.

2003-04-01

In the Purex process of spent fuel reprocessing. the twin objectives- decontamination and partitioning are achieved by extracting uranium (VI) and plutonium (IV) together in the solvent 30% TBP-dodecane and then selectively reducing Pu (IV) to Pu (III) in which valency it is least extractable in the solvent. Uranous nitrate stabilized with hydrazine nitrate is the widely employed partitioning agent. The conventional method of producing U(IV) is by the electrolytic reduction of uranyl nitrate with hydrazine nitrate as uranous ion stabilizer. Tre percentage conversion of U(VI) to U(IV) obtained in this method is 50 -60 %. The use of this solution as partitioning agent leads not only to the dilution of the plutonium product but also to increase in uranium processing load by each externally fed uranous nitrate batch. Also the oxide coating of the anode, TSIA (Titanium Substrate Insoluble Anode) wears out after a certain period of operation. This necessitates recoating which is quite cumbersome considering the amount of the decontamination involved. An alternative to the conventional electrolytic method of reduction of uranyl nitrate to uranous nitrate was explored at FRD laboratory .The studies have revealed that near 100% uranous nitrate can be produced by reducing uranyl nitrate with H 2 gas or H 2 (8%)- Ar/N 2 gas mixture in presence of PtO 2 catalyst. This report describes the laboratory scale studies carried out to optimize the various parameters. Based on these studies reduction of uranyl nitrate on a pilot plant scale was carried out. The design and operation of the reductor column and also the various studies carried out in the pilot plant studies are discussed. Near 100% conversion of uranyl nitrate to uranous nitrate and also the redundancy of supply of electrical energy make this process a viable alternative to the existing electrolytic method. (author)

Systems Li2B4O7 (Na2B4O7, K2B4O7)-N2H3H4OH-H2O at 25 deg C

International Nuclear Information System (INIS)

Skvortsov, V.G.; Sadetdinov, Sh.V.; Akimov, V.M.; Mitrasov, Yu.N.; Petrova, O.V.; Klopov, Yu.N.

1994-01-01

Phase equilibriums in the Li 2 B 4 O 7 (Na 2 B 4 O 7 , K 2 B 4 O 7 )-N 2 H 3 H 4 OH-H 2 O systems were investigated by methods of isothermal solubility, refractometry and PH-metry at 25 deg C for the first time. Lithium and sodium tetraborates was established to form phases of changed composition mM 2 B 4 O 7 ·nN 2 H 3 C 2 H 4 OH·XH 2 O, where M=Li, Na with hydrazine ethanol. K 2 B 4 O 7 ·4H 2 O precipitates in solid phase in the case of potassium salt. Formation of isomorphous mixtures was supported by X-ray diffraction and IR spectroscopy methods

Measurements and modeling of absorption by CO2 + H2O mixtures in the spectral region beyond the CO2 ν3-band head

Science.gov (United States)

Tran, H.; Turbet, M.; Chelin, P.; Landsheere, X.

2018-05-01

In this work, we measured the absorption by CO2 + H2O mixtures from 2400 to 2600 cm-1 which corresponds to the spectral region beyond the ν3 band head of CO2. Transmission spectra of CO2 mixed with water vapor were recorded with a high-resolution Fourier-transform spectrometer for various pressure, temperature and concentration conditions. The continuum absorption by CO2 due to the presence of water vapor was determined by subtracting from measured spectra the contribution of local lines of both species, that of the continuum of pure CO2 as well as of the self- and CO2-continua of water vapor induced by the H2O-H2O and H2O-CO2 interactions. The obtained results are in very good agreement with the unique previous measurement (in a narrower spectral range). They confirm that the H2O-continuum of CO2 is significantly larger than that observed for pure CO2. This continuum thus must be taken into account in radiative transfer calculations for media involving CO2+ H2O mixture. An empirical model, using sub-Lorentzian line shapes based on some temperature-dependent correction factors χ is proposed which enables an accurate description of the experimental results.

The Radiolytic Destruction of Glycine Diluted in H2O and CO2 Ice: Implications for Mars and Other Planetary Environments

Science.gov (United States)

Gerakines, Perry A.; Hudson, R. L.

2013-10-01

Future missions to Mars and other planetary surfaces will probe under the surfaces of these worlds for signs of organic chemistry. In previous studies we have shown that glycine and other amino acids have radiolytic destruction rates that depend on temperature and on dilution within an H2O ice matrix (Gerakines et al., 2012; Gerakines and Hudson 2013). In the new work presented here, we have examined the destruction of glycine diluted in CO2 ice at various concentrations and irradiated with protons at 0.8 MeV, typical of cosmic rays and solar energetic particles. Destruction rates for glycine were measured by infrared spectroscopy in situ, without removing or warming the ice samples. New results on the half life of glycine in solid CO2 will be compared to those found in H2O ice matrices. The survivability of glycine in icy planetary surfaces rich in H2O and CO2 ice will be discussed, and the implications for planetary science missions will be considered. References: Gerakines, P. A., Hudson, R. L., Moore, M. H., and Bell, J-L. (2012). In-situ Measurements of the Radiation Stability of Amino Acids at 15 - 140 K. Icarus, 220, 647-659. Gerakines, P. A. and Hudson, R. L. (2013). Glycine's Radiolytic Destruction in Ices: First in situ Laboratory Measurements for Mars. Astrobiology, 13, 647-655.

Apparent molar volumes for dilute solutions of NaClO4 and [Co(en) 3](ClO4)3 in D2O and H2O at 278-318 K

International Nuclear Information System (INIS)

Bottomley, G.A.; Glossop, L.G.

1981-01-01

Apparent molar volumes for dilute solutions of NaClO 4 and [Co(en) 3 ](ClO 4 ) 3 in D 2 O and H 2 O were measured by using a dilatometry technique at 278, 298 and 318K. Comparison of limiting slopes with the Debye-Huckel predictions from the dielectric constant and compressibility of H 2 O and D 2 O is complicated by ion pairing. The apparent molar volumes for NaClO 4 were less in D 2 O than in H 2 O. The complex [Co(en) 3 ](ClO 4 ) 3 when studied in D 2 O had its amine protons exchanged by deuterium; this did not allow a direct comparison of the apparent molar volumes of the protonated complex in each solvent system, but revealed a large isotope effect. The apparent molar volumes of the [Co(en) 3 ](ClO 4 ) 3 showed a much larger temperature dependence than that of NaClO 4

Pressure-induced change in the Raman spectra of ionic liquid [DEME][BF4]-H2O mixtures

International Nuclear Information System (INIS)

Imai, Y; Abe, H; Goto, T; Miyashita, T; Yoshimura, Y

2010-01-01

We have measured Raman spectral changes of N,N,diethyl-N-methyl-N-(2-methoxyethyl) ammonium tetrafluoroborate, [DEME][BF 4 ]-H 2 O mixtures under high pressure. All the Raman spectra of mixtures of water concentrations below 50.0 mol% H 2 O changed at around 1 GPa at room temperature. The spectrum at high pressure is completely different from that obtained by cooling the sample at a normal pressure.

Interactive effects of MnO2, organic matter and pH on abiotic formation of N2O from hydroxylamine in artificial soil mixtures

Science.gov (United States)

Liu, Shurong; Berns, Anne E.; Vereecken, Harry; Wu, Di; Brüggemann, Nicolas

2017-02-01

Abiotic conversion of the reactive nitrification intermediate hydroxylamine (NH2OH) to nitrous oxide (N2O) is a possible mechanism of N2O formation during nitrification. Previous research has demonstrated that manganese dioxide (MnO2) and organic matter (OM) content of soil as well as soil pH are important control variables of N2O formation in the soil. But until now, their combined effect on abiotic N2O formation from NH2OH has not been quantified. Here, we present results from a full-factorial experiment with artificial soil mixtures at five different levels of pH, MnO2 and OM, respectively, and quantified the interactive effects of the three variables on the NH2OH-to-N2O conversion ratio (RNH2OH-to-N2O). Furthermore, the effect of OM quality on RNH2OH-to-N2O was determined by the addition of four different organic materials with different C/N ratios to the artificial soil mixtures. The experiments revealed a strong interactive effect of soil pH, MnO2 and OM on RNH2OH-to-N2O. In general, increasing MnO2 and decreasing pH increased RNH2OH-to-N2O, while increasing OM content was associated with a decrease in RNH2OH-to-N2O. Organic matter quality also affected RNH2OH-to-N2O. However, this effect was not a function of C/N ratio, but was rather related to differences in the dominating functional groups between the different organic materials.

Uranous nitrate production using PtO2 catalyst and H2/H2 gas mixtures

International Nuclear Information System (INIS)

Rao, K.S.; Shyamlal, R.; Narayanan, C.V.; Patil, A.R.; Ramanujam, A.; Kansra, V.P.; Balu, K.; Vaidya, V.N.

2001-01-01

The feasibility of producing near 100% uranous nitrate, the partitioning agent used in the spent fuel reprocessing by Purex process, by catalytically reducing uranyl nitrate with H 2 and H 2 gas mixtures was extensively studied. As near quantitative reduction of uranyl nitrate could be easily achieved in laboratory scale studies, pilot plant scale reduction of uranyl nitrate was also carried out and five litres of uranyl nitrate of 100 g/1 could be quantitatively reduced in one hour. (author)

Behavior of GaSb (100) and InSb (100) surfaces in the presence of H{sub 2}O{sub 2} in acidic and basic cleaning solutions

Energy Technology Data Exchange (ETDEWEB)

Seo, Dongwan; Na, Jihoon; Lee, Seunghyo; Lim, Sangwoo, E-mail: swlim@yonsei.ac.kr

2017-03-31

Highlights: • Surface behavior of GaSb and InSb was investigated in acidic and basic solutions. • H{sub 2}O{sub 2} plays a key role in the surface oxidation of GaSb and InSb in acidic hydrochloric acid/hydrogen peroxide mixture (HPM) solution. • GaSb and InSb surfaces were hardly oxidized in basic ammonium hydroxide/hydrogen peroxide mixture (APM) solution in the presence of H{sub 2}O{sub 2}. • The effect of dilution of APM solution on the oxidation of the InSb surface was minimal. • Surface characteristics of GaSb and InSb in HPM and APM solutions are mainly determined by the behaviors of the group III elements rather than the group V element. - Abstract: Gallium antimonide (GaSb) and indium antimonide (InSb) have attracted strong attention as new channel materials for transistors due to their excellent electrical properties and lattice matches with various group III–V compound semiconductors. In this study, the surface behavior of GaSb (100) and InSb (100) was investigated and compared in hydrochloric acid/hydrogen peroxide mixture (HPM) and ammonium hydroxide/hydrogen peroxide mixture (APM) solutions. In the acidic HPM solution, surface oxidation was greater and the etching rates of the GaSb and InSb surfaces increased when the solution is concentrated, which indicates that H{sub 2}O{sub 2} plays a key role in the surface oxidation of GaSb and InSb in acidic HPM solution. However, the GaSb and InSb surfaces were hardly oxidized in basic APM solution in the presence of H{sub 2}O{sub 2} because gallium and indium are in the thermodynamically stable forms of H{sub 2}GaO{sub 3}{sup −} and InO{sub 2}{sup −}, respectively. When the APM solution was diluted, however, the Ga on the GaSb surface was oxidized by H{sub 2}O, increasing the etching rate. However, the effect of dilution of the APM solution on the oxidation of the InSb surface was minimal; thus, the InSb surface was less oxidized than the GaSb surface and the change in the etching rate of In

Experimental study of the vapour-liquid equilibria of HI-I-2-H2O ternary mixtures, Part 2: Experimental results at high temperature and pressure

International Nuclear Information System (INIS)

Larousse, B.; Lovera, P.; Borgard, J.M.; Roehrich, G.; Mokrani, N.; Maillault, C.; Doizi, D.; Dauvois, V.; Roujou, J.L.; Lorin, V.; Fauvet, P.; Carles, P.; Hartmann, J.M.

2009-01-01

In order to assess the choice of the sulphur-iodine thermochemical cycle for massive hydrogen production, a precise knowledge of the concentrations of the gaseous species (HI, I 2 , and H 2 O) in thermodynamic equilibrium with the liquid phase of the HI-I 2 -H 2 O ternary mixture is required, in a wide range of concentrations and for temperatures and pressures up to 300 degrees C and 50 bar. In the companion paper (Part 1) the experimental device was described, which enables the measurement of the total pressure and concentrations of the vapour phase (and thus the knowledge of the partial pressures of the different gaseous species) for the HI-I 2 -H 2 O mixture in the 20-140 degrees C range and up to 2 bar. This (Part 2) article describes the experimental device which enables similar measurements but now in the process domain. The results concerning concentrations in the vapour phase for the HI-I 2 -H 2 O initial mixture (with a global composition) in the 120-270 degrees C temperature range and up to 30 bar are presented. As previously, optical online diagnostics are used, based on recordings of infrared transmission spectra for HI and H 2 O and on UV/visible spectrometry for I 2 . The concentrations measured in the vapour phase are the first to describe the vapour composition under thermophysical conditions close to those of the distillation column. The experimental results are compared with a thermodynamic model and will help us to scale up and optimize the reactive distillation column we promote for the HI section of the sulphur-iodine cycle. (authors)

Improved radiosensitive microcapsules using H2O2

International Nuclear Information System (INIS)

Harada, Satoshi; Ehara, Shigeru; Ishii, Keizo

2010-01-01

The radiation-induced releasing of the liquid-core of the microcapsules was improved using H 2 O 2 , which produced O 2 generation of H 2 O 2 after irradiation. Further, we tested whether these microcapsules enhanced the antitumor effects and decreased the adverse effects in vivo in C3He/J mice. The capsules were produced by spraying a mixture of 3.0% hyaluronic acid, 2.0% alginate, 3.0% H 2 O 2 , and 0.3 mmol of carboplatin on a mixture of 0.3 mol FeCl 2 and 0.15 mol CaCl 2 . The microcapsules were subcutaneously injected into MM46 tumors that had been inoculated in the left hind legs of C3He/J mice. The radiotherapy comprised tumor irradiation with 10 Gy or 20 Gy 60 Co. The antitumor effect of the microcapsules was tested by measuring tumor size and monitoring tumor growth. Three types of adverse effects were considered: fuzzy hair, loss of body weight, and death. The size of the capsule size was 23±2.4 μmφ and that of the liquid core, 20.2±2.2 μmφ. The injected microcapsules localized drugs around the tumor. The production of O 2 by radiation increased the release of carboplatin from the microcapsules. The antitumor effects of radiation, carboplatin, and released oxygen were synergistic. Localization of the carboplatin decreased its adverse effects. However, the H 2 O 2 caused ulceration of the skin in the treated area. The use of our microcapsules enhanced the antitumor effects and decreased the adverse effects of carboplatin. However, the skin-ulceration caused by H 2 O 2 must be considered before these microcapsules can be used clinically. (author)

Kinetic-sound propagation in dilute gas mixtures

International Nuclear Information System (INIS)

Campa, A.; Cohen, E.G.D.

1989-01-01

Kinetic sound is predicted in dilute disparate-mass binary gas mixtures, propagating exclusively in the light compound and much faster than ordinary sound. It should be detectable by light-scattering experiments, as an extended shoulder in the scattering cross section for large frequencies. As an example, H 2 -Ar mixtures are discussed

Harmonic-anharmonic transition in disaccharides/H{sub 2}O mixtures by EINS

Energy Technology Data Exchange (ETDEWEB)

Magazu, S.; Migliardo, F.; Mondelli, C

2004-07-15

This work furnishes new experimental findings on glass-forming systems, i.e. homologues disaccharides (trehalose, maltose, sucrose)/H{sub 2}O mixtures obtained by using elastic incoherent neutron scattering. Such a technique allows to characterize the different degree of 'strength' of the investigated systems by means of the analysis of both the elastic intensity and the mean square displacement behaviours as a function of temperature and Q. The better cryptoprotectant effectiveness of trehalose in comparison with the other disaccharides is ascribed to lower fragility of the matrix in which biostructures are immersed, i.e. of the trehalose/water mixture.

Enthalpic discrimination of homochiral pairwise interactions: Enantiomers of proline and hydroxyproline in (dimethyl formamide (DMF) + H2O) and (dimethylsulfoxide (DMSO) + H2O) mixtures at 298.15 K

International Nuclear Information System (INIS)

Hu, Xin-Gen; Liu, Jia-Min; Guo, Zheng; Liang, Hong-Yu; Jia, Zhao-Peng; Cheng, Wei-Na; Guo, Ai-Di; Zhang, He-Juan

2013-01-01

Highlights: • The h xx values of each α-amino acids decrease gradually with the mass fractions of cosolvents. • The absolute values of h xx of L-enantiomers are larger than D-enantiomers in the range w COS = 0 to 0.30. • The h xx values of the two proline enantiomers are all positive at each composition of mixed solvents. • When a hydrophilic hydroxyl group is introduced into proline enantiomers, the values of h xx become negative. -- Abstract: Dilution enthalpies of two pairs of α-amino acid enantiomers, namely L-proline vsD-proline, and L-hydroxyproline vsD-hydroxyproline, in water-rich regions of dimethyl formamide (DMF) + H 2 O and dimethylsulfoxide (DMSO) + H 2 O mixtures (mass fractions of cosolvents w COS = 0 to 0.30) have been determined respectively at 298.15 K by isothermal titration calorimetry (ITC). The successive values of dilution enthalpy obtained in a single run of ITC determination were used to calculate homochiral enthalpic pairwise interaction coefficients (h xx ) at the corresponding composition of mixed solvents according to the McMillan–Mayer’ statistical thermodynamic approach. The sign and magnitude of h xx were interpreted in terms of solute–solute interactions mediated by solvent and cosolvent molecules, and preferential configurations of homochiral pairwise interactions (L–L or D–D pairs) in aqueous solutions. The variations of h xx with w COS were considered to be dependent greatly on the competition equilibrium between hydrophobic and hydrophilic interactions, as well as the structural alteration of water caused by the two highly polar aprotic cosolvents (DMF and DMSO). Especially, it was found that when one of the two kinds of interactions (hydrophobic or hydrophilic interactions) preponderates over the other in solutions, enthalpic effect of homochiral pairwise interactions is always remarkable, and is characterized by a large absolute value of h xx , positive or negative, which corresponds respectively to the

Laboratory studies of 2H evaporator scale dissolution in dilute nitric acid

International Nuclear Information System (INIS)

Oji, L.

2014-01-01

The rate of 2H evaporator scale solids dissolution in dilute nitric acid has been experimentally evaluated under laboratory conditions in the SRNL shielded cells. The 2H scale sample used for the dissolution study came from the bottom of the evaporator cone section and the wall section of the evaporator cone. The accumulation rate of aluminum and silicon, assumed to be the two principal elemental constituents of the 2H evaporator scale aluminosilicate mineral, were monitored in solution. Aluminum and silicon concentration changes, with heating time at a constant oven temperature of 90 deg C, were used to ascertain the extent of dissolution of the 2H evaporator scale mineral. The 2H evaporator scale solids, assumed to be composed of mostly aluminosilicate mineral, readily dissolves in 1.5 and 1.25 M dilute nitric acid solutions yielding principal elemental components of aluminum and silicon in solution. The 2H scale dissolution rate constant, based on aluminum accumulation in 1.5 and 1.25 M dilute nitric acid solution are, respectively, 9.21E-04 ± 6.39E-04 min -1 and 1.07E-03 ± 7.51E-05 min -1 . Silicon accumulation rate in solution does track the aluminum accumulation profile during the first few minutes of scale dissolution. It however diverges towards the end of the scale dissolution. This divergence therefore means the aluminum-to-silicon ratio in the first phase of the scale dissolution (non-steady state conditions) is different from the ratio towards the end of the scale dissolution. Possible causes of this change in silicon accumulation in solution as the scale dissolution progresses may include silicon precipitation from solution or the 2H evaporator scale is a heterogeneous mixture of aluminosilicate minerals with several impurities. The average half-life for the decomposition of the 2H evaporator scale mineral in 1.5 M nitric acid is 12.5 hours, while the half-life for the decomposition of the 2H evaporator scale in 1.25 M nitric acid is 10.8 hours

Determination of the absolute concentrations of H2O - D2O mixtures using the increase in sensitivity of infra-red absorption measurements

International Nuclear Information System (INIS)

Ceccaldi, M.

1964-01-01

A description is given in this report of original work concerning an infrared method for determining the absolute isotopic content of H 2 O - D 2 O mixtures. The spectrum is obtained, in both the liquid and the solid states, of water of unknown D 2 O content and of mixtures of this water and light water. The Beer-Lambert law-is Well followed in this case; the measurement of three parameters involved in this law is described together with a method of measuring the fourth parameter. The results obtained using infrared and nuclear resonance techniques are compared. The concentration of the 99.9960 per cent reference water is known with a precision of a least + 40 ppm - 20 ppm and very likely to ± 5 ppm. (author) [fr

Synthesis, structure, optical, photoluminescence and magnetic properties of K2[Co(C2O4)2(H2O)2]·4H2O

Science.gov (United States)

Narsimhulu, M.; Hussain, K. A.

2018-06-01

The synthesis, crystal structure, optical, photoluminescence and magnetic behaviour of potassium bis(oxalato)cobaltate(II)tertrahydrate{K2[Co(C2O4)2(H2O)2]·4H2O} are described. The compound was grown at room temperature from mixture of aqueous solutions by slow evaporation method. The X-ray crystallographic data showed that the compound belongs to the monoclinic crystal system with P21/n space group and Z = 4. The UV-visible diffuse absorbance spectra exhibited bands at 253, 285 and 541 nm in the visible and ultraviolet regions. The optical band gap of the compound was estimated as 3.4 eV. At room temperature, an intense photoluminescence was observed from this material around 392 nm when it excited at 254 nm. The variable temperature dc magnetic susceptibility measurements exposed paramagnetic behaviour at high temperatures and antiferromagnetic ordering at low temperatures.

Absolute linestrengths in the H2O2 nu6 band

Science.gov (United States)

May, Randy D.

1991-01-01

Absolute linestrengths at 295 K have been measured for selected lines in the nu6 band of H2O2 using a tunable diode-laser spectrometer. H2O2 concentrations in a flowing gas mixture were determined by ultraviolet (uv) absorption at 254 nm using a collinear infrared (ir) and uv optical arrangement. The measured linestrengths are approx. 60 percent larger than previously reported values when absorption by hot bands in H2O2 is taken into account.

Optical characteristics of a RF DBD plasma jet in various {Ar}/ {O}_{2}Ar/O2 mixtures

Science.gov (United States)

Falahat, A.; Ganjovi, A.; Taraz, M.; Ravari, M. N. Rostami; Shahedi, A.

2018-02-01

In this paper, using the optical emission spectroscopy (OES) technique, the optical characteristics of a radiofrequency (RF) plasma jet are examined. The Ar/O2 mixture is taken as the operational gas and, the Ar percentage in the Ar/O2 mixture is varied from 70% to 95%. Using the optical emission spectrum analysis of the RF plasma jet, the excitation temperature is determined based on the Boltzmann plot method. The electron density in the plasma medium of the RF plasma jet is obtained by the Stark broadening of the hydrogen Balmer H_{β }. It is mostly seen that, the radiation intensity of Ar 4p→ 4s transitions at higher argon contributions in Ar/O2 mixture is higher. It is found that, at higher Ar percentages, the emission intensities from atomic oxygen (O) are higher and, the line intensities from the argon atoms and ions including O atoms linearly increase. It is observed that the quenching of Ar^{*} with O2 results in higher O species with respect to O2 molecules. In addition, at higher percentages of Ar in the Ar/O2 mixture, while the excitation temperature is decreased, the electron density is increased.

Combination of sunlight irradiated oxidative processes for landfill leachate: heterogeneous catalysis (TiO2 versus homogeneous catalysis (H2O2

Directory of Open Access Journals (Sweden)

Oswaldo Luiz Cobra Guimarães

2013-04-01

Full Text Available The objective of this work was to study the treatment of landfill leachate liquid in nature, after the use of a combination of advanced oxidation processes. More specifically, it compared heterogeneous catalysis with TiO2 to homogeneous catalysis with H2O2, both under photo-irradiated sunlight. The liquid used for the study was the leachate from the landfill of the city of Cachoeira Paulista, São Paulo State, Brazil. The experiments were conducted in a semi-batch reactor open to the absorption of solar UV radiation, with 120 min reaction time. The factors and their respective levels (-1, 0 and 1 were distributed in a experimental design 24-1 with duplicate and triplicate in the central point, resulting in an array with 19 treatment trials. The studied factors in comparing the two catalytic processes were: liquid leachate dilution, TiO2 concentration on the reactor plate, the H2O2 amount and pH level. The leachate had low photo-catalytic degradability, with NOPC reductions ranging from 1% to a maximum of 24.9%. When considering each factor alone, neither homogeneous catalysis with H2O2, nor heterogeneous catalysis with TiO2, could degrade the percolated liquid without significant reductions (5% level in total NOPC. On the other hand, the combined use of homogenous catalysis with H2O2 and heterogeneous catalysis H2O2 resulted in the greatest reductions in NOPC. The optimum condition for the NOPC reduction was obtained at pH 7, dilution of percolated:water at 1:1 (v v-1 rate; excess of 12.5% H2O2 and coating plate reactor with 0.025 g cm-2 TiO2.

Systems Li[sub 2]B[sub 4]O[sub 7] (Na[sub 2]B[sub 4]O[sub 7], K[sub 2]B[sub 4]O[sub 7])-N[sub 2]H[sub 3]H[sub 4]OH-H[sub 2]O at 25 deg C. Sistemy Li[sub 2]B[sub 4]O[sub 7] (Na[sub 2]B[sub 4]O[sub 7], K[sub 2]B[sub 4]O[sub 7])-N[sub 2]H[sub 3]H[sub 4]OH-H[sub 2]O pri 25 grad S

Energy Technology Data Exchange (ETDEWEB)

Skvortsov, V G; Sadetdinov, Sh V; Akimov, V M; Mitrasov, Yu N; Petrova, O V; Klopov, Yu N [Chuvashskij Gosudarstvennyj Pedagogicheskij Inst., Cheboksary (Russian Federation) Universitet Druzhby Narodov, Moscow (Russian Federation)

1994-02-01

Phase equilibriums in the Li[sub 2]B[sub 4]O[sub 7] (Na[sub 2]B[sub 4]O[sub 7], K[sub 2]B[sub 4]O[sub 7])-N[sub 2]H[sub 3]H[sub 4]OH-H[sub 2]O systems were investigated by methods of isothermal solubility, refractometry and PH-metry at 25 deg C for the first time. Lithium and sodium tetraborates was established to form phases of changed composition mM[sub 2]B[sub 4]O[sub 7][center dot]nN[sub 2]H[sub 3]C[sub 2]H[sub 4]OH[center dot]XH[sub 2]O, where M=Li, Na with hydrazine ethanol. K[sub 2]B[sub 4]O[sub 7][center dot]4H[sub 2]O precipitates in solid phase in the case of potassium salt. Formation of isomorphous mixtures was supported by X-ray diffraction and IR spectroscopy methods.

An experimental study on premixed CNG/H2/CO2 mixture flames

Science.gov (United States)

Yilmaz, Ilker; Yilmaz, Harun; Cam, Omer

2018-03-01

In this study, the effect of swirl number, gas composition and CO2 dilution on combustion and emission behaviour of CNG/H2/CO2 gas mixtures was experimentally investigated in a laboratory scale combustor. Irrespective of the gas composition, thermal power of the combustor was kept constant (5 kW). All experiments were conducted at or near stoichiometric and the local atmospheric conditions of the city of Kayseri, Turkey. During experiments, swirl number was varied and the combustion performance of this combustor was analysed by means of centreline temperature distributions. On the other hand, emission behaviour was examined with respect to emitted CO, CO2 and NOx levels. Dynamic flame behaviour was also evaluated by analysing instantaneous flame images. Results of this study revealed the great impact of swirl number and gas composition on combustion and emission behaviour of studied flames.

Ab initio and transition state theory study of the OH + HO2 → H2O + O2(3Σg−)/O2(1Δg) reactions: yield and role of O2(1Δg) in H2O2 decomposition and in combustion of H2

KAUST Repository

Monge Palacios, Manuel

2018-01-22

Reactions of hydroxyl (OH) and hydroperoxyl (HO2) are important for governing the reactivity of combustion systems. We performed post-CCSD(T) ab initio calculations at the W3X-L//CCSD = FC/cc-pVTZ level to explore the triplet ground-state and singlet excited-state potential energy surfaces of the OH + HO2 → H2O + O2(3Σg−)/O2(1Δg) reactions. Using microcanonical and multistructural canonical transition state theories, we calculated the rate constant for the triplet and singlet channels over the temperature range 200–2500 K, represented by k(T) = 3.08 × 1012T0.07 exp(1151/RT) + 8.00 × 1012T0.32 exp(−6896/RT) and k(T) = 2.14 × 106T1.65 exp(−2180/RT) in cm3 mol−1 s−1, respectively. The branching ratios show that the yield of singlet excited oxygen is small (<0.5% below 1000 K). To ascertain the importance of singlet oxygen channel, our new kinetic information was implemented into the kinetic model for hydrogen combustion recently updated by Konnov (Combust. Flame, 2015, 162, 3755–3772). The updated kinetic model was used to perform H2O2 thermal decomposition simulations for comparison against shock tube experiments performed by Hong et al. (Proc. Combust. Inst., 2013, 34, 565–571), and to estimate flame speeds and ignition delay times in H2 mixtures. The simulation predicted a larger amount of O2(1Δg) in H2O2 decomposition than that predicted by Konnov\\'s original model. These differences in the O2(1Δg) yield are due to the use of a higher ab initio level and a more sophisticated methodology to compute the rate constant than those used in previous studies, thereby predicting a significantly larger rate constant. No effect was observed on the rate of the H2O2 decomposition and on the flame speeds and ignition delay times of different H2–oxidizer mixtures. However, if the oxidizer is seeded with O3, small differences appear in the flame speed. Given that O2(1Δg) is much more reactive than O2(3Σg−), we do not preclude an effect of the

An experimental study on premixed CNG/H2/CO2 mixture flames

Directory of Open Access Journals (Sweden)

Yilmaz Ilker

2018-03-01

Full Text Available In this study, the effect of swirl number, gas composition and CO2 dilution on combustion and emission behaviour of CNG/H2/CO2 gas mixtures was experimentally investigated in a laboratory scale combustor. Irrespective of the gas composition, thermal power of the combustor was kept constant (5 kW. All experiments were conducted at or near stoichiometric and the local atmospheric conditions of the city of Kayseri, Turkey. During experiments, swirl number was varied and the combustion performance of this combustor was analysed by means of centreline temperature distributions. On the other hand, emission behaviour was examined with respect to emitted CO, CO2 and NOx levels. Dynamic flame behaviour was also evaluated by analysing instantaneous flame images. Results of this study revealed the great impact of swirl number and gas composition on combustion and emission behaviour of studied flames.

Experimental and Kinetic Modeling Study of C2H2Oxidation at High Pressure

DEFF Research Database (Denmark)

Lopez, Jorge Gimenez; Rasmussen, Christian Tihic; Hashemi, Hamid

2016-01-01

diagram for C2H3 + O2 by Goldsmith et al. and on new ab initio calculations, respectively. The C2H2 + HO2 reaction involves nine pressure- and temperature-dependent product channels, with formation of triplet CHCHO being dominant under most conditions. The barrier to reaction for C2H2 + O2 was found......A detailed chemical kinetic model for oxidation of acetylene at intermediate temperatures and high pressure has been developed and evaluated experimentally. The rate coefficients for the reactions of C2H2 with HO2 and O2 were investigated, based on the recent analysis of the potential energy...... to be more than 50 kcal mol−1 and predictions of the initiation temperature were not sensitive to this reaction. Experiments were conducted with C2H2/O2 mixtures highly diluted in N2 in a high-pressure flow reactor at 600–900 K and 60 bar, varying the reaction stoichiometry from very lean to fuel...

Room and high temperature interactions in sodium and rubidium rich ternary nitrate mixtures of UO2(NO3)2.6H2O - NaNO3 - RbNO3

International Nuclear Information System (INIS)

Kalekar, Bhupesh B.; Reddy, A.V.R.; Raje, Naina

2016-01-01

High temperature interaction behavior of nitrates is important for characterizing different intermediate products and their thermal stabilities during the calcination of nuclear waste before their immobilization in the stable glass matrix. Mixtures of UO 2 (NO 3 ) 2 .6H 2 O (UNH) with NaNO 3 (NaN) and RbNO 3 (RbN) were prepared by mixing the weighed amounts of component nitrates and grinding gently in a mortar and pestle. The mixing and grinding of individual nitrate components in a mortar with pestle showed the agglomeration of solid particles and subsequent dissolution probably in the water of crystallization of UNH. The continued grinding and mixing showed the reappearance of the solid powder. The original yellow color of the mixture was changed to greenish yellow color. The mixtures were subjected to thermal measurements using Netzsch Thermobalance (Model No.: STA 409 PC Luxx) coupled to Bruker FTIR system (Model No.: Tensor 27) via a heated Teflon capillary (1 m long, 2 mm i.d.). TG - DTG curves of equimolar mixture are displayed. The plateau was observed on TG curve in the temperature region of 31- 250 °C. It is reported that Na(UO 2 (NO 3 ) 3 ).H 2 O and Rb(UO 2 (NO 3 ) 3 ) formed around 250 °C in the equimolar nitrate mixtures of UNH-NaN and UNH-RbN. Thermal and XRD results indicated the formation of Na(UO 2 (NO 3 ) 3 ).H 2 O and Rb(UO 2 (NO) 3 ) 3 ) even by mixing the UNH, NaN and RbN in equimolar ratios at room temperature

Nanosecond pulsed discharges in N2 and N2/H2O mixtures

NARCIS (Netherlands)

Joosten, R.M.; Verreycken, T.; Veldhuizen, van E.M.; Bruggeman, P.J.

2011-01-01

Nanosecond pulsed discharges in N2 and N2/H2O at atmospheric pressure between two pin-shaped electrodes are studied. The evolution of the discharge is investigated with time-resolved imaging and optical emission spectroscopy. The discharge consists of three phases, the ignition (mainly molecular

Study of the solubility, viscosity and density in Na+, Zn2+/Cl− − H2O, Na+ − Zn2+ − (H2PO2)− − H2O, Na+, Cl−/(H2PO2)− − H2O, and Zn2+, Cl−/(H2PO2)− − H2O ternary systems, and in Na+, Zn2+/Cl−, (H2PO2)−//H2O reciprocal quaternary system at 273.15 K

International Nuclear Information System (INIS)

Adiguzel, Vedat; Erge, Hasan; Alisoglu, Vahit; Necefoglu, Hacali

2014-01-01

Highlights: • The physicochemical properties of ternary and one quaternary have been studied. • Reciprocal quaternary systems’ solubility and phase equilibrium have been studied. • In all systems the solid phases have been found. • It was found that Zn(H 2 PO 2 ) 2 salt contains 70% of the general crystallization field. - Abstract: The solubility and the physicochemical properties (density, viscosity) in the Na-Zn- Cl-H 2 O), (Na + Zn + H 2 PO 2 + H 2 O), (Na + Cl + H 2 PO 2 + H 2 O), and (Zn + Cl + H 2 PO 2 + H 2 O) ternaries, and in Na + , Zn 2+ /Cl − , (H 2 PO 2 ) − //H 2 O reciprocal quaternary systems at T = 273.15 K were investigated by using the isothermal method. The diagrams of ternary salts systems, (NaCl + ZnCl 2 + H 2 O), (NaCl + NaH 2 PO 2 + H 2 O), (NaH 2 PO 2 + Zn(H 2 PO 2 ) 2 + H 2 O), (ZnCl 2 + Zn(H 2 PO 2 ) 2 + H 2 O), are plotted in figures 1–4. However, whole ions of reciprocal quaternary salt systems are plotted in figure 5. Additionally, the density and viscosity values of ternary systems vs. their corresponding composition values in weight per cent are plotted in figures 6–10. At the (i) (ZnCl 2 + Zn(H 2 PO 2 ) 2 + H 2 O), (ii) (NaCl + ZnCl 2 + H 2 O), (iii) (NaCl + NaH 2 PO 2 + H 2 O), (iv) (NaH 2 PO 2 + Zn(H 2 PO 2 ) 2 + H 2 O) ternary systems the solid phase compositions have been determined as: (i) Zn(H 2 PO 2 ) 2 ⋅ H 2 O, Zn(H 2 PO 2 ) 2 , ZnCl 2 ⋅ 2H 2 O, (ii) NaCl, 2NaCl ⋅ ZnCl 2 ⋅ 2H 2 O, and ZnCl 2 ⋅ 2H 2 O, (iii) NaCl and NaH 2 PO 2 ⋅ H 2 O, (iv) Zn(H 2 PO 2 ) 2 ⋅ H 2 O and NaH 2 PO 2 ⋅ H 2 O, respectively. On the other hand reciprocal quaternary system was observed as: ZnCl 2 ⋅ 2H 2 O, 2NaCl ⋅ ZnCl 2 ⋅ 2H 2 O, Zn(H 2 PO 2 ) 2 ⋅ H 2 O, NaH 2 PO 2 ⋅ H 2 O, NaCl. According to results, the least soluble salt was Zn(H 2 PO 2 ) 2 . The crystallization field of this salt, being the largest in comparison with those of other salts, occupied 70% of the general crystallization field

Abatement of phenolic mixtures by catalytic wet oxidation enhanced by Fenton's pretreatment: Effect of H2O2 dosage and temperature

International Nuclear Information System (INIS)

Santos, A.; Yustos, P.; Rodriguez, S.; Simon, E.; Garcia-Ochoa, F.

2007-01-01

Catalytic wet oxidation (CWO) of a phenolic mixture containing phenol, o-cresol and p-cresol (500 mg/L on each pollutant) has been carried out using a commercial activated carbon (AC) as catalyst, placed in a continuous three-phase reactor. Total pressure was 16 bar and temperature was 127 deg. C. Pollutant conversion, mineralization, intermediate distribution, and toxicity were measured at the reactor outlet. Under these conditions no detoxification of the inlet effluent was found even at the highest catalyst weight (W) to liquid flow rate (Q L ) ratio used. On the other hand, some Fenton Runs (FR) have been carried out in a batch way using the same phenolic aqueous mixture previously cited. The concentration of Fe 2+ was set to 10 mg/L. The influence of the H 2 O 2 amount (between 10 and 100% of the stoichiometric dose) and temperature (30, 50, and 70 deg. C) on phenols conversion, mineralization, and detoxification have been analyzed. Phenols conversion was near unity at low hydrogen peroxide dosage but mineralization and detoxification achieved an asymptotic value at each temperature conditions. The integration of Fenton reagent as pretreatment of the CWO process remarkably improves the efficiency of the CWO reactor and allows to obtain detoxified effluents at mild temperature conditions and relatively low W/Q L values. For a given phenolic mixture a temperature range of 30-50 deg. C in the Fenton pretreatment with a H 2 O 2 dosage between 20 and 40% of the stoichiometric amount required can be proposed

The H2O/D2O exchange across vesicular lipid bilayers

International Nuclear Information System (INIS)

Engelbert, H.P.; Lawaczek, R.

1985-01-01

A new method to measure the water (D 2 O/H 2 O) permeation across vesicular lipid bilayers is described. The method is based on the solvent isotope effect of the light scattering which is a consequence of the different indices of refraction of D 2 O and H 2 O. Unilamellar lipid vesicles in excess of H 2 O are rapidly mixed with D 2 O or vice versa. As result of the H 2 O/D 2 O exchange across the vesicular bilayer the light scattering signal has a time dependent, almost single exponential component allowing the deduction of the exchange relaxation rate and, at known size, of the permeability coefficient. The experimental results are in accord with calculations from the Mie theory of light scattering for coated spheres. The method is applicable for large vesicles where the permeation is the rate-limiting step. Size separations are performed by a flow dialysis through a sequence of pore-membrane-filters. For dimyristoyl-lecithin bilayers the water permeability-coefficient is 1.9 . 10 -5 cm/s in the crystalline phase and increases by a factor of 10-100 in the liquid-crystalline state. The temperature dependence of the permeation exhibits a sharp change at the phase transition. For binary mixtures of lecithins this sharp change follows the solidus curve of the non-ideal phase diagram determined by spectroscopic techniques. (orig.)

New metal-organic frameworks of [M(C6H5O7)(C6H6O7)(C6H7O7)(H2O)] . H2O (M=La, Ce) and [Ce2(C2O4)(C6H6O7)2] . 4H2O

International Nuclear Information System (INIS)

Weng Shengfeng; Wang, Yun-Hsin; Lee, Chi-Shen

2012-01-01

Two novel materials, [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2), with a metal-organic framework (MOF) were prepared with hydrothermal reactions and characterized with photoluminescence, magnetic susceptibility, thermogravimetric analysis and X-ray powder diffraction in situ. The crystal structures were determined by single-crystal X-ray diffraction. Compound 1 crystallized in triclinic space group P1-bar (No. 2); compound 2 crystallized in monoclinic space group P2 1 /c (No. 14). The structure of 1 is built from a 1D MOF, composed of deprotonated citric ligands of three kinds. Compound 2 contains a 2D MOF structure consisting of citrate and oxalate ligands; the oxalate ligand arose from the decomposition in situ of citric acid in the presence of Cu II ions. Photoluminescence spectra of compounds 1b and 2 revealed transitions between the 5d 1 excited state and two levels of the 4f 1 ground state ( 2 F 5/2 and 2 F 7/2 ). Compounds 1b and 2 containing Ce III ion exhibit a paramagnetic property with weak antiferromagnetic interactions between the two adjacent magnetic centers. - Graphical Abstract: [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2)—with 1D and 2D structures were synthesized and characterized. Highlights: ► Two MOF – [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2) – with 1D and 2D structures. ► The adjacent chains of the 1D framework were correlated with each other through an oxalate ligand to form a 2D layer structure. ► The source of the oxalate ligand was the decomposition in situ of citric acid oxidized in the presence of Cu II ions.

Solute activity coefficients in dilute aqueous electrolyte mixutes. III. The ternary system HCLO4 + UO2(CLO4)2 + H2O at 250C

International Nuclear Information System (INIS)

Boyd, G.E.

1977-01-01

Isopiestic vapor pressure comparison measurements were conducted with the three-component system HClO 4 + UO 2 (ClO 4 ) 2 + H 2 O in the concentration range between I = 0.05 and 1.9 m. Analysis of the mixture composition and concentration dependence of the osmotic coefficients with the Scatchard neutral-electrolyte and ion-component methods and with the Pitzer ion-component methods gave equally satisfactory results. Prediction of the observed osmotic coefficients by two-component approximations was satisfactory, and the data agreed well with values estimated with a model based on the osmolal fraction. A fair concordance was also found between predicted solute activity coefficients from simple models and values derived from complete treatments which included interaction terms

Removal of pharmaceutically active compounds from synthetic and real aqueous mixtures and simultaneous disinfection by supported TiO2/UV-A, H2O2/UV-A, and TiO2/H2O2/UV-A processes.

Science.gov (United States)

Bosio, Morgana; Satyro, Suéllen; Bassin, João Paulo; Saggioro, Enrico; Dezotti, Márcia

2018-05-01

Pharmaceutically active compounds are carried into aquatic bodies along with domestic sewage, industrial and agricultural wastewater discharges. Psychotropic drugs, which can be toxic to the biota, have been detected in natural waters in different parts of the world. Conventional water treatments, such as activated sludge, do not properly remove these recalcitrant substances, so the development of processes able to eliminate these compounds becomes very important. Advanced oxidation processes are considered clean technologies, capable of achieving high rates of organic compounds degradation, and can be an efficient alternative to conventional treatments. In this study, the degradation of alprazolam, clonazepam, diazepam, lorazepam, and carbamazepine was evaluated through TiO 2 /UV-A, H 2 O 2 /UV-A, and TiO 2 /H 2 O 2 /UV-A, using sunlight and artificial irradiation. While using TiO 2 in suspension, best results were found at [TiO 2 ] = 0.1 g L -1 . H 2 O 2 /UV-A displayed better results under acidic conditions, achieving from 60 to 80% of removal. When WWTP was used, degradation decreased around 50% for both processes, TiO 2 /UV-A and H 2 O 2 /UV-A, indicating a strong matrix effect. The combination of both processes was shown to be an adequate approach, since removal increased up to 90%. H 2 O 2 /UV-A was used for disinfecting the aqueous matrices, while mineralization was obtained by TiO 2 -photocatalysis.

Influence of H2O2 on LPG fuel performance evaluation

International Nuclear Information System (INIS)

Khan, Muhammad Saad; Ahmed, Iqbal; Mutalib, Mohammad Ibrahim bin Abdul; Nadeem, Saad; Ali, Shahid

2014-01-01

The objective of this mode of combustion is to insertion of hydrogen peroxide (H 2 O 2 ) to the Liquefied Petroleum Gas (LPG) combustion on spark plug ignition engines. The addition of hydrogen peroxide may probably decrease the formation of NO x , CO x and unburned hydrocarbons. Hypothetically, Studies have shown that addition of hydrogen peroxide to examine the performance of LPG/H 2 O 2 mixture in numerous volumetric compositions starting from lean LPG until obtaining a better composition can reduce the LPG fuel consumption. The theory behind this idea is that, the addition of H 2 O 2 can cover the lean operation limit, increase the lean burn ability, diminution the burn duration along with controlling the exhaust emission by significantly reducing the greenhouse gaseous

Densities and apparent molar volumes of atmospherically important electrolyte solutions. 2. The systems H(+)-HSO4(-)-SO4(2-)-H2O from 0 to 3 mol kg(-1) as a function of temperature and H(+)-NH4(+)-HSO4(-)-SO4)2-)-H2O from 0 to 6 mol kg(-1) at 25 °C using a Pitzer ion interaction model, and NH4HSO4-H2O and (NH4)3H(SO4)2-H2O over the entire concentration range.

Science.gov (United States)

Clegg, S L; Wexler, A S

2011-04-21

A Pitzer ion interaction model has been applied to the systems H(2)SO(4)-H(2)O (0-3 mol kg(-1), 0-55 °C) and H(2)SO(4)-(NH(4))(2)SO(4)-H(2)O (0-6 mol kg(-1), 25 °C) for the calculation of apparent molar volume and density. The dissociation reaction HSO(4)(-)((aq)) ↔ H(+)((aq)) + SO(4)(2-)((aq)) is treated explicitly. Apparent molar volumes of the SO(4)(2-) ion at infinite dilution were obtained from part 1 of this work, (1) and the value for the bisulfate ion was determined in this study from 0 to 55 °C. In dilute solutions of both systems, the change in the degree of dissociation of the HSO(4)(-) ion with concentration results in much larger variations of the apparent molar volumes of the solutes than for conventional strong (fully dissociated) electrolytes. Densities and apparent molar volumes are tabulated. Apparent molar volumes calculated using the model are combined with other data for the solutes NH(4)HSO(4) and (NH(4))(3)H(SO(4))(2) at 25 °C to obtain apparent molar volumes and densities over the entire concentration range (including solutions supersaturated with respect to the salts).

High purity H2/H2O/Ni/SZ electrodes at 500º C

DEFF Research Database (Denmark)

Høgh, Jens Valdemar Thorvald; Hansen, Karin Vels; Norrman, Kion

2013-01-01

of stabilized zirconia (SZ) with 10, 13 and 18 mol% yttria and one with 6 mol% scandia plus 4 mol% yttria were studied at open circuit voltage at 400-500 C in mixtures of H2/H2O over 46 days. The polarization resistances (Rp) for all samples increased significantly during the first 10-20 days at 500 C...

Laser flash-photolysis and gas discharge in N2O-containing mixture: kinetic mechanism

Science.gov (United States)

Kosarev, Ilya; Popov, Nikolay; Starikovskaia, Svetlana; Starikovskiy, Andrey; mipt Team

2011-10-01

The paper is devoted to further experimental and theoretical analysis of ignition by ArF laser flash-photolysis and nanosecond discharge in N2O-containing mixture has been done. Additional experiments have been made to assure that laser emission is distributed uniformly throughout the cross-section. The series of experiments was proposed and carried out to check validity of O(1D) determination in experiments on plasma assisted ignition initiated by flash-photolysis. In these experiments, ozone density in the given mixture (mixture composition and kinetics has been preliminary analyzed) was measured using UV light absorption in Hartley band. Good coincidence between experimental data and results of calculations have been obtained Temporal behavior of energy input, electric field and electric current has been measured and analyzed. These data are considered as initial conditions for numerical modeling of the discharge in O2:N2O:H2:Ar = 0.3:1:3:5 mixture. Ion-molecular reactions and reactions of active species production in Ar:H2:O2:N2O mixture were analyzed. The set of reactions to describe chemical transformation in the system due to the discharge action has been selected.

Absorption spectra between 0.8 {mu} and 30 {mu} of mixtures of H{sub 2}O - D{sub 2}O in the liquid state; Le spectre d'absorption des melanges H{sub 2}O-D{sub 2}O a l'etat liquide entre 0,8 et 30 {mu}

Energy Technology Data Exchange (ETDEWEB)

Ceccaldi, M; Goldman, M; Roth, E [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1958-07-01

There has been very little work carried out recently on the absorption bands of H{sub 2}O, HDO and D{sub 2}O in the liquid state. We have established the spectra of these molecules in between 0.8 and 30 p. The table of absorption bands of the molecules HDO and D{sub 2}O for which all the bands corresponding to those for H{sub 2}O had not been established has been completed. We have sought a convenient method of representing the variations in optical density of certain HDO bands as a function of the concentration of heavy water in the mixtures studied. (author) [French] Il y a peu de travaux recents sur les bandes d'absorption de H{sub 2}O, HDO et D{sub 2}O a l'etat liquide. Nous avons releve les spectres de ces molecules entre 0,8 et 30 p. Le tableau des bandes d'absorption des molecules HDO et D{sub 2}O, pour lesquelles le releve de toutes les bandes correspondantes a celles de H{sub 2}O n'etait pas encore effectue, a ete complete. Nous avons cherche des modes de representation commodes des variations de densite optique de certaines bandes de HDO en fonction de la teneur en eau lourde des melanges etudies. (auteur)

Collagen tissue treated with chitosan solution in H2O/CO2 mixtures: Influence of clathrates hydrates on the structure and mechanical properties.

Science.gov (United States)

Chaschin, Ivan S; Bakuleva, Natalia P; Grigoriev, Timofei E; Krasheninnikov, Sergey V; Nikitin, Lev N

2017-03-01

A mixture of water/carbon dioxide is a "green" perspective solvent from the viewpoint of biomedical applications. Clathrate hydrates are formed this solvent under certain conditions and a very interesting question is the impact of clathrates hydrates on the structure and properties of bovine pericardium, which is used in biomedicine, in particular as a main part of biological heart valve prostheses. The aim of the present work is to investigate the influence of clathrates on the structure and mechanical properties of the collagen tissue treated with chitosan in H 2 O/CO 2 mixtures under pressure 3.0-3.5MPa and temperatures 2-4°C. It was first found that the clathrate hydrates in this media due to the strong fluctuations "bomb" collagen tissue of bovine pericardium, which is manifested in the appearance of numerous small gaps (pores) with mean size of 225±25nm and large pores with size of 1-3μ on the surface and within collagen matrices. High porosity leads to averaging characteristics of the organization structure in tissues with different orientation of the collagen fibers. As a result, the mechanical properties of the collagen tissue with a different orientation of the collagen fibrils become similar, which is quite different from their original properties. The structural changes caused by the influence of the environment clathrate hydrates led to a significant decrease of the tensile strength (30-47% in total, p<0.05) and initial elastic moduli (74-83%, p<0.05). However, the final elastic moduli and the maximum tensile virtually unchanged compared to the control. Nevertheless, it was found that the direct deposition of chitosan from the H 2 O/CO 2 mixtures with clathrate improve the mechanical-strength properties of the porous matrices. We believe that these improved mechanical properties are achieved due to particularly deep and uniform impregnation of the collagen matrix with chitosan from its pressurized solutions in H 2 O/CO 2 mixtures. Copyright © 2016

Directed laser processing of compacted powder mixtures Al2O3-TiO2-Y2O3

Directory of Open Access Journals (Sweden)

Vlasova M.

2013-01-01

Full Text Available The phase formation, microstructure and surface texture of laser treated ternary powder mixtures of Al2O3-TiO2-Y2O3 had been studied. Rapid high temperature heating and subsequent rapid cooling due to the directed movement of the laser beam forms concave ceramic tracks. Phase composition and microstructure of the tracks depends on the Al2O3 content and the TiO2/Y2O3 ratio of the initial mixtures. The main phases observed are Y3Al5O12, Y2Ti2O7, Al2O3 and Al2TiO5. Due to the temperature gradient in the heating zone, complex layered structures are formed. The tracks consist of three main layers: a thin surface layer, a layer of crystallization products of eutectic alloys, and a lower sintered layer. The thickness of the crystallization layer and the shrinkage of the irradiation zone depend on the amount of Y3Al5O12 and Al2O3 crystallized from the melt.

Removal of binary dyes mixtures with opposite and similar charges by adsorption, coagulation/flocculation and catalytic oxidation in the presence of CeO2/H2O2 Fenton-like system.

Science.gov (United States)

Issa Hamoud, Houeida; Finqueneisel, Gisèle; Azambre, Bruno

2017-06-15

In this study, the removal of binary mixtures of dyes with similar (Orange II/Acid Green 25) or opposite charges (Orange II/Malachite Green) was investigated either by simple adsorption on ceria or by the heterogeneous Fenton reaction in presence of H 2 O 2 . First, the CeO 2 nanocatalyst with high specific surface area (269 m 2 /g) and small crystal size (5 nm) was characterized using XRD, Raman spectroscopy and N 2 physisorption at 77 K. The adsorption of single dyes was studied either from thermodynamic and kinetic viewpoints. It is shown that the adsorption of dyes on ceria surface is highly pH-dependent and followed a pseudo-second order kinetic model. Adsorption isotherms fit well the Langmuir model with a complete monolayer coverage and higher affinity towards Orange II at pH 3, compared to other dyes. For the (Orange II/Acid Green 25) mixture, both the amounts of dyes adsorbed on ceria surface and discoloration rates measured from Fenton experiments were decreased by comparison with single dyes. This is due to the adsorption competition existing onto the same surface Ce x+ sites and the reaction competition with hydroxyl radicals, respectively. The behavior of the (Orange II/Malachite Green) mixture is markedly different. Dyes with opposite charges undergo paired adsorption on ceria as well as homogeneous and heterogeneous coagulation/flocculation processes, but can also be removed by heterogeneous Fenton process. Copyright © 2016 Elsevier Ltd. All rights reserved.

(Solid + liquid) phase equilibria of (Ca(H2PO2)2 + CaCl2 + H2O) and (Ca(H2PO2)2 + NaH2PO2 + H2O) ternary systems at T = 323.15 K

International Nuclear Information System (INIS)

Cao, Hong-yu; Zhou, Huan; Bai, Xiao-qin; Ma, Ruo-xin; Tan, Li-na; Wang, Jun-min

2016-01-01

Graphical abstract: Solubility diagram of the (Ca(H 2 PO 2 ) 2 + NaH 2 PO 2 + H 2 O) system at T = (323.15 and 298.15) K. - Highlights: • Phase diagrams of Ca 2+ -H 2 PO 2 − -Cl − -H 2 O, Ca 2+ -Na + -H 2 PO 2 − -H 2 O at 323.15 K were obtained. • Incompatible double salt of NaCa(H 2 PO 2 ) 3 in Ca 2+ -Na + -H 2 PO 2 − -H 2 O system was determined. • Density diagram of the corresponding liquid were simultaneously measured. - Abstract: Calcium hypophosphite has been widely used as an anti-corrosive agent, flame retardant, fertilizer, assistant for Ni electroless plating, and animal nutritional supplement. High purity calcium hypophosphite can be synthesized via the replacement reaction of sodium hypophosphite and calcium chloride. In this work, the (solid + liquid) phase equilibria of (Ca(H 2 PO 2 ) 2 + CaCl 2 + H 2 O) and (Ca(H 2 PO 2 ) 2 + NaH 2 PO 2 + H 2 O) ternary systems at T = 323.15 K were studied experimentally via the classical isothermal solubility equilibrium method, and the phase diagrams for these two systems were obtained. It was found that two solid salts of CaCl 2 ·2H 2 O and Ca(H 2 PO 2 ) 2 exist in the (Ca(H 2 PO 2 ) 2 + CaCl 2 + H 2 O) system, and three salts of Ca(H 2 PO 2 ) 2 , NaH 2 PO 2 ·H 2 O and one incompatible double salt, NaCa(H 2 PO 2 ) 3 occur in the (Ca(H 2 PO 2 ) 2 + NaH 2 PO 2 + H 2 O) system.

Degradation of 5-FU by means of advanced (photo)oxidation processes: UV/H{sub 2}O{sub 2}, UV/Fe{sup 2+}/H{sub 2}O{sub 2} and UV/TiO{sub 2} — Comparison of transformation products, ready biodegradability and toxicity

Energy Technology Data Exchange (ETDEWEB)

Lutterbeck, Carlos Alexandre, E-mail: lutterbeck@leuphana.de [Sustainable Chemistry and Material Resources, Institute of Sustainable and Environmental Chemistry, Faculty of Sustainability, Leuphana University of Lüneburg, Scharnhorststraße 1/C13, DE-21335 Lüneburg (Germany); Graduate Program in Environmental Technology, Universidade de Santa Cruz do Sul — UNISC, Av. Independência, 2293, CEP 96815-900 Santa Cruz do Sul, Rio Grande do Sul (Brazil); Wilde, Marcelo Luís, E-mail: wilde@leuphana.de [Sustainable Chemistry and Material Resources, Institute of Sustainable and Environmental Chemistry, Faculty of Sustainability, Leuphana University of Lüneburg, Scharnhorststraße 1/C13, DE-21335 Lüneburg (Germany); Baginska, Ewelina, E-mail: ewelina.baginska@leuphana.de [Sustainable Chemistry and Material Resources, Institute of Sustainable and Environmental Chemistry, Faculty of Sustainability, Leuphana University of Lüneburg, Scharnhorststraße 1/C13, DE-21335 Lüneburg (Germany); Leder, Christoph, E-mail: cleder@leuphana.de [Sustainable Chemistry and Material Resources, Institute of Sustainable and Environmental Chemistry, Faculty of Sustainability, Leuphana University of Lüneburg, Scharnhorststraße 1/C13, DE-21335 Lüneburg (Germany); Machado, Ênio Leandro, E-mail: enio@unisc.br [Graduate Program in Environmental Technology, Universidade de Santa Cruz do Sul — UNISC, Av. Independência, 2293, CEP 96815-900 Santa Cruz do Sul, Rio Grande do Sul (Brazil); and others

2015-09-15

The present study investigates the degradation of the antimetabolite 5-fluorouracil (5-FU) by three different advanced photo oxidation processes: UV/H{sub 2}O{sub 2}, UV/Fe{sup 2+}/H{sub 2}O{sub 2} and UV/TiO{sub 2}. Prescreening experiments varying the H{sub 2}O{sub 2} and TiO{sub 2} concentrations were performed in order to set the best catalyst concentrations in the UV/H{sub 2}O{sub 2} and UV/TiO{sub 2} experiments, whereas the UV/Fe{sup 2+}/H{sub 2}O{sub 2} process was optimized varying the pH, Fe{sup 2+} and H{sub 2}O{sub 2} concentrations by means of the Box–Behnken design (BBD). 5-FU was quickly removed in all the irradiation experiments. The UV/Fe{sup 2+}/H{sub 2}O{sub 2} and UV/TiO{sub 2} processes achieved the highest degree of mineralization, whereas the lowest one resulted from the UV/H{sub 2}O{sub 2} treatment. Six transformation products were formed during the advanced (photo)oxidation processes and identified using low and high resolution mass spectrometry. Most of them were formed and further eliminated during the reactions. The parent compound of 5-FU was not biodegraded, whereas the photolytic mixture formed in the UV/H{sub 2}O{sub 2} treatment after 256 min showed a noticeable improvement of the biodegradability in the closed bottle test (CBT) and was nontoxic towards Vibrio fischeri. In silico predictions showed positive alerts for mutagenic and genotoxic effects of 5-FU. In contrast, several of the transformation products (TPs) generated along the processes did not provide indications for mutagenic or genotoxic activity. One exception was TP with m/z 146 with positive alerts in several models of bacterial mutagenicity which could demand further experimental testing. Results demonstrate that advanced treatment can eliminate parent compounds and its toxicity. However, transformation products formed can still be toxic. Therefore toxicity screening after advanced treatment is recommendable. - Highlights: • Full primary elimination of 5-FU was

Effects of variation in background mixing ratios of N2, O2, and Ar on the measurement of δ18O-H2O and δ2H-H2O values by cavity ring-down spectroscopy

Science.gov (United States)

Johnson, Jennifer E.; Rella, Chris W.

2017-08-01

Cavity ring-down spectrometers have generally been designed to operate under conditions in which the background gas has a constant composition. However, there are a number of observational and experimental situations of interest in which the background gas has a variable composition. In this study, we examine the effect of background gas composition on a cavity ring-down spectrometer that measures δ18O-H2O and δ2H-H2O values based on the amplitude of water isotopologue absorption features around 7184 cm-1 (L2120-i, Picarro, Inc.). For background mixtures balanced with N2, the apparent δ18O values deviate from true values by -0.50 ± 0.001 ‰ O2 %-1 and -0.57 ± 0.001 ‰ Ar %-1, and apparent δ2H values deviate from true values by 0.26 ± 0.004 ‰ O2 %-1 and 0.42 ± 0.004 ‰ Ar %-1. The artifacts are the result of broadening, narrowing, and shifting of both the target absorption lines and strong neighboring lines. While the background-induced isotopic artifacts can largely be corrected with simple empirical or semi-mechanistic models, neither type of model is capable of completely correcting the isotopic artifacts to within the inherent instrument precision. The development of strategies for dynamically detecting and accommodating background variation in N2, O2, and/or Ar would facilitate the application of cavity ring-down spectrometers to a new class of observations and experiments.

Solid state synthesis of stoichiometric LiCoO2 from mechanically activated Co-Li2CO3 mixtures

International Nuclear Information System (INIS)

Berbenni, Vittorio; Milanese, Chiara; Bruni, Giovanna; Marini, Amedeo

2006-01-01

Stoichiometric lithium cobalt oxide (LiCoO 2 ) has been synthesized by solid state reaction of mixtures of the system Co-0.5Li 2 CO 3 after mechanical activation by high energy milling. The differences in the reaction mechanism and in product stoichiometry with respect to what happens when starting from the non activated (physical) system have been brought into evidence by TG analysis. Furthermore it has been shown that stoichiometric LiCoO 2 is obtained by a 200 h annealing of the activated mixture at temperatures as low as 400 deg. C. Finally, it has been revealed that longer activation times (150 h) result in Co oxidation to Co 3 O 4 that, in turn, hampers the formation of stoichiometric LiCoO 2

Low-Temperature Thermal Reactions Between SO2 and H2O2 and Their Relevance to the Jovian Icy Satellites

Science.gov (United States)

Loeffler, Mark J.; Hudson, Reggie L.

2013-01-01

Here we present first results on a non-radiolytic, thermally-driven reaction sequence in solid H2O +SO2 + H2O2 mixtures at 50-130 K, which produces sulfate (SO(-2)/(4)), and has an activation energy of 53 kJ/mole. We suspect that these results may explain some of the observations related to the presence and distribution of H2O2 across Europa's surface as well as the lack of H2O2 on Ganymede and Callisto.

Gas-phase evolution of Ar/H2O and Ar/CH4 dielectric barrier discharge plasmas

Science.gov (United States)

Barni, Ruggero; Riccardi, Claudia

2018-04-01

We present some experimental results of an investigation aimed to hydrogen production with atmospheric pressure plasmas, based on the use of dielectric barrier discharges, fed with a high-voltage alternating signal at frequency 30-50 kHz, in mixtures of methane or water vapor diluted in argon. The plasma gas-phase of the discharge was investigated by means of optical and electrical diagnostics. The emission spectra of the discharges was measured with a wide band spectrometer and a photosensor module, based on a photomultiplier tube. A Rogowski coil allowed to measure the electric current flowing into the circuit and a high voltage probe was employed for evaluating the voltage at the electrodes. The analysis of the signals of voltage and current shows the presence of microdischarges between the electrodes in two alternating phases during the period of oscillation of the applied voltage. The hydrogen concentration in the gaseous mixture was measured too. Besides this experimental campaign, we present also results from a numerical modeling of chemical kinetics in the gas-phase of Ar/H2O and Ar/CH4 plasmas. The simulations were conducted under conditions of single discharge to study the evolution of the system and of fixed frequency repeated discharging. In particular in Ar/H2O mixtures we could study the evolution from early atomic dissociation in the discharge, to longer time scales, when chemical reactions take place producing an increase of the density of species such as OH, H2O2 and subsequently of H and H2. The results of numerical simulations provide some insights into the evolution happening in the plasma gas-phase during the hydrogen reforming process.

X-RAY IRRADIATION OF H{sub 2}O + CO ICE MIXTURES WITH SYNCHROTRON LIGHT

Energy Technology Data Exchange (ETDEWEB)

Jiménez-Escobar, A.; Ciaravella, A.; Micela, G.; Cecchi-Pestellini, C. [INAF–Osservatorio Astronomico di Palermo, P.za Parlamento 1, I-90134 Palermo (Italy); Chen, Y.-J.; Huang, C.-H., E-mail: jimenezea@astropa.inaf.it, E-mail: ciarave@astropa.inaf.it, E-mail: giusi@astropa.inaf.it, E-mail: cecchi-pestellini@astropa.inaf.it, E-mail: asperchen@phy.ncu.edu.tw, E-mail: 101222023@cc.ncu.edu.tw [Department of Physics, National Central University, Jhongli District, Taoyuan City 32054, Taiwan (China)

2016-03-20

We irradiated a (4:1) mixture of water and carbon monoxide with soft X-rays of energies up to 1.2 keV. The experiments were performed using the spherical grating monochromator beamline at National Synchrotron Radiation Research Center in Taiwan. Both monochromatic (300 and 900 eV) and broader energy fluxes (250–1200 eV) were employed. During the irradiation, the H{sub 2}O + CO mixture was ionized, excited, and fragmented, producing a number of reactive species. The composition of the ice has been monitored throughout both the irradiation and warm-up phases. We identified several products, which can be related through a plausible chemical reaction scheme. Such chemistry is initiated by the injection of energetic photoelectrons that produce multiple ionization events generating a secondary electron cascade. The results have been discussed in light of a model for protoplanetary disks around young solar-type stars.

Decapado de un acero inoxidable austenítico mediante mezclas ecológicas basadas en H2O2 - H2SO4 - iones F-

Directory of Open Access Journals (Sweden)

Narváez, L.

2013-04-01

Full Text Available This study reports the pickling of 316L stainless steel using mixtures of hydrogen peroxide (H2O2, sulphuric acid (H2SO4 and fluoride ions as hydrofluoric acid (HF, sodium fluoride (NaF and potassium fluoride (KF. The decomposition of H2O2 in the mixtures was assessed at different temperatures 25 °C to 60 °C, with ferric ion contents from 0 to 40 g/l. According to the results obtained, were established the optimal condition pickling at 20 g/l of ferric ions, 25 °C and p-toluensulphonic acid as stabilizer of H2O2. The HF pickling mixture was the only capable to remove totally the oxide layer from the 316L stainless steel after 300 s. The fluoride salts pickling mixtures only remove partially the oxide layer (20 to 40 % aprox. after 300 s. When the pickling time was increased until 1200 s, the removal percentages were around to 80 %.En este estudio se presenta el decapado del acero inoxidable austenítico 316L utilizando mezclas de peróxido de hidrógeno (H2O2/ácido sulfúrico (H2SO4/iones fluoruro; los iones fluoruro provienen del ácido fluorhídrico (HF, fluoruro de sodio (NaF y fluoruro de potasio (KF. La estabilidad del H2O2 fue valorada modificando las concentraciones del ión férrico de 0 a 40 g/l y las temperaturas de 25 °C a 60 °C en las mezclas decapantes. Se establecieron las condiciones óptimas de decapado utilizando 20 g/l de iones férrico a 25 °C empleando el ácido p-toluensulfónico como estabilizante del H2O2. La mezcla que contenía HF fue la única capaz de eliminar completamente los óxidos superficiales del acero a tiempos de 300 s. Las mezclas a base de sales fluoradas eliminaron parcialmente los óxidos (20 y 40 % aprox. en 300 s. Al incrementar el tiempo de decapado hasta 1200 s se obtuvieron porcentajes de eliminación alrededor de un 80 %.

Electrochemical behaviour of cadmium in the H{sub 2}O-D{sub 2}O system. I. Polarographic study

Energy Technology Data Exchange (ETDEWEB)

Alonso-Lopez, J

1966-07-01

The diffusion current of Cd{sup 2} in a H{sub 2}O-D{sub 2}O system with a supporting electrolyte of 0.1 M KC1 + 0.01 M HC1 has been studied as a function of parameters such as time, height of the mercury reservoir and electrolyte temperature. the characteristics of the process are those of a reversible diffusion-controlled process. In the H{sub 2}O-D{sub 2}O system, the values of the diffusion current were smaller than the corresponding ones in H{sub 2}O, at 25 degree centigrade. The decrease was proportional to D{sub 2}O concentration when this was greater than 35 per cent. This fact may be used as an analytical means of determining D{sub 2}O in H{sub 2}O mixtures. (Author) 7 refs.

Experimental measurements of vapor-liquid equilibria of the H2O + CO2 + CH4 ternary system

Science.gov (United States)

Qin, J.; Rosenbauer, R.J.; Duan, Zhenhao

2008-01-01

Reported are the experimental measurements on vapor-liquid equilibria in the H2O + CO2 + CH4 ternary system at temperatures from (324 to 375) K and pressures from (10 to 50) MPa. The results indicate that the CH4 solubility in the ternary mixture is about 10 % to 40 % more than that calculated by interpolation from the Henry's law constants of the binary system, H2O + CH4, and the solubility of CO2 is 6 % to 20 % more than what is calculated by the interpolation from the Henry's law constants of the binary mixture, H 2O + CO2. ?? 2008 American Chemical Society.

Solar processing of CO2 and H2O, routes for solar fuels

International Nuclear Information System (INIS)

Flammant, G.; Abanades, St.

2008-01-01

Complete text of publication follows: Concentrated solar energy provides heat in the temperature range 200 C - 3000 C for concentration ratio variation from 10 to 10 000 (three orders of magnitude). Consequently, solar-driven thermochemical processes may be proposed to produce hydrogen from water decomposition and to reduce carbon dioxide. This lecture gives an overview of such processes. High temperature thermochemical cycles for hydrogen production by water splitting are currently studied at PROMES lab, particularly 2-step and 3-step cycles based on the following reaction scheme, MOox → MOred + 1/2 O 2 (high temperature solar step), MOred + H 2 O → MOox + H 2 (low temperature non solar step). Volatile and non-volatile oxide cycles are developed from the chemical and the engineering points of view. A similar reaction scheme may be proposed to reduce carbon dioxide with concentrated solar energy (Fig. 1), it comes, MOox → MOred + 1/2 O 2 (high temperature solar step), MOred + CO 2 → MOox + CO (low temperature non solar step). As a result gas mixtures such as CO 2 /H 2 and CO/H 2 may be produced by solar energy. Such mixtures are the reactants for liquid fuels production (solar fuels)

The Cheshire-cat-like Behavior of 2nu(sub 3) Overtone of Co2 near 2.134 micron: NIR Lab Spectra of Solid CO2 in H2O and CH3OH

Science.gov (United States)

Bernstein, Max; Sandford, Scott; Cruikshank, Dale

2005-01-01

Infrared (IR) spectra have demonstrated that solid H2O is very common in the outer Solar System, and solid carbon dioxide (CO2) has been detected on icy satellites, comets, and planetismals throughout the outer Solar System. In such environments, CO2 and H2O must sometimes be mixed at a molecular level, changing their IR absorption features. In fact, the IR spectra of CO2-H2O mixtures are not equivalent to a linear combination of the spectra of the pure materials. Laboratory IR spectra of pure CO2 and H2O have been published but a lack of near-IR spectra of CO2-H2O mixtures has made the interpretation of outer Solar System spectra more difficult. We present near infrared (IR) spectra of CO2 in H2O and in CH3OH compared to that of pure solid CO2 and find significant differences. Peaks not present in either pure H2O or pure CO2 spectra become evident. First, the CO2 (2nu(sub 3)) overtone near 2.134 micron (4685/ cm) that is not seen in pure solid CO2 is prominent in the spectrum of a CO2/H2O = 25 mixture. Second, a 2.74 micron (3650/ cm) dangling OH feature of water (and a potentially related peak at 1.89 micron) appear in the spectra of CO2-H2O ice mixtures, but may not be specific to the presence of CO2. Other CO2 peaks display shifts in position and increased width because of intermolecular interactions with water. Changes in CO2 peak positions and profiles on warming of a CO2/H2O = 5 mixture are consistent with 'segregation' of the ice into nearly pure separate components. Absolute strengths for absorptions of CO2 in solid H2O are estimated. Similar results are observed for CO2 in solid CH3OH. Since the CO2 ( 2nu(sub 3)) overtone near 2.134 micron (4685/ cm) is not present in pure CO2 but prominent in mixtures it may be a good observational indicator of whether solid CO2 is a pure material or intimately mixed with other molecules. Significant changes in the near IR spectrum of solid CO2 in the presence of H2O and CH3OH means that the abundance of solid CO2 in the

Characterisation of the coke formed during metal dusting of iron in CO-H2-H2O gas mixtures

International Nuclear Information System (INIS)

Zhang, J.; Schneider, A.; Inden, G.

2003-01-01

Carbon deposits formed on the surface of iron samples during carburisation at 700 deg. C in a gas mixture of 75%CO-24.81%H 2 -0.19%H 2 O were characterised by using scanning electron microscopy (SEM), X-ray diffraction (XRD), Moessbauer spectroscopy and transmission electron microscopy (TEM). Cross-section observation of the iron sample by light optical microscopy revealed the formation of cementite after only 10 min reaction, together with a thin layer of graphite. After 4 h reaction, a thick coke layer was formed on top of the cementite surface. SEM surface observation indicated the formation of filamentous carbon in the coke layer. Further analysis of the coke by XRD and Moessbauer showed the presence of mainly Fe 3 C and small amount of Fe 2 C but no metallic iron in the carbon deposit. TEM analysis of the coke detected very convoluted filaments with iron-containing particles at the tip or along their length. These particles were identified to be cementite by selected area diffraction. Carbon deposits produced at the same temperature but with other gas compositions were also analysed by using XRD. It was found that with a low content of CO, e.g. 5%, both α-Fe and Fe 3 C were detected in the coke. Increasing CO content to more than 30%, iron carbide was the only iron-containing phase

Coordination polymers of scandium sulfate. Crystal structures of (H2Bipy)[Sc(H2O)(SO4)2]2·2H2O and (H2Bipy)[HSO4]2

International Nuclear Information System (INIS)

Petrosyants, S.P.; Ilyukhin, A.B.

2005-01-01

Compounds with general formula Cat x [Sc(H 2 O) z (SO 4 ) y ]·nH 2 O (Cat=NH 4 , H 2 Bipy (Bipy - 4,4'-bipyridine), HEdp (Edp - ethylene dipyridine)) identified on element analysis data and IR spectra are synthesized. X-ray diffraction analysis of (H 2 Bipy)[Sc(H 2 O)(SO 4 ) 2 ] 2 ·2H 2 O shows that in structure of the compound chains of ScO 6 octahedron and SO 4 tetrahedrons are joined in bands by tridentate coordination of sulfate ions. Bands form skeleton in endless emptiness of which there are H 2 Bipy 2+ cations [ru

Evaluation of the impact of H2O, O2, and SO2 on postcombustion CO2 capture in metal-organic frameworks.

Science.gov (United States)

Yu, Jiamei; Ma, Yuguang; Balbuena, Perla B

2012-05-29

Molecular modeling methods are used to estimate the influence of impurity species: water, O(2), and SO(2) in flue gas mixtures present in postcombustion CO(2) capture using a metal organic framework, HKUST-1, as a model sorbent material. Coordinated and uncoordinated water effects on CO(2) capture are analyzed. Increase of CO(2) adsorption is observed for both cases, which can be attributed to the enhanced binding energy between CO(2) and HKUST-1 due to the introduction of a small amount of water. Density functional theory calculations indicate that the binding energy between CO(2) and HKUST-1 with coordinated water is ~1 kcal/mol higher than that without coordinated water. It is found that the improvement of CO(2)/N(2) selectivity induced by coordinated water may mainly be attributed to the increased CO(2) adsorption on the hydrated HKUST-1. On the other hand, the enhanced selectivity induced by uncoordinated water in the flue gas mixture can be explained on the basis of the competition of adsorption sites between water and CO(2) (N(2)). At low pressures, a significant CO(2)/N(2) selectivity increase is due to the increase of CO(2) adsorption and decrease of N(2) adsorption as a consequence of competition of adsorption sites between water and N(2). However, with more water molecules adsorbed at higher pressures, the competition between water and CO(2) leads to the decrease of CO(2) adsorption capacity. Therefore, high pressure operation should be avoided in HKUST-1 sorbents for CO(2) capture. In addition, the effects of O(2) and SO(2) on CO(2) capture in HKUST-1 are investigated: The CO(2)/N(2) selectivity does not change much even with relatively high concentrations of O(2) in the flue gas (up to 8%). A slightly lower CO(2)/N(2) selectivity of a CO(2)/N(2)/H(2)O/SO(2) mixture is observed compared with that in a CO(2)/N(2)/H(2)O mixture, especially at high pressures, due to the strong SO(2) binding with HKUST-1.

The quantification of gluconeogenesis in healthy men by (2)H2O and [2-(13)C]glycerol yields different results: rates of gluconeogenesis in healthy men measured with (2)H2O are higher than those measured with [2-(13)C]glycerol

NARCIS (Netherlands)

Ackermans, M. T.; Pereira Arias, A. M.; Bisschop, P. H.; Endert, E.; Sauerwein, H. P.; Romijn, J. A.

2001-01-01

The quantification of gluconeogenesis (GNG) by (2)H2O and [2-(13)C]glycerol and the mass isotopomer dilution analysis of glucose does not involve assumptions regarding the enrichment of the oxaloacetate precursor pool. To compare these two methods we measured GNG in six healthy postabsorptive males

Thermal decomposition of (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2}·2H{sub 2}O: Influence on structure, microstructure and hydrofluorination

Energy Technology Data Exchange (ETDEWEB)

Thomas, R. [Univ. Lille, CNRS, Centrale Lille, ENSCL, Univ. Artois, UMR 8181 - UCCS - Unité de Catalyse et Chimie du Solide, F-59000 Lille (France); Hall de Recherche de Pierrelatte, AREVA NC, BP 16, 26701 Pierrelatte (France); Rivenet, M., E-mail: murielle.rivenet@ensc-lille.fr [Univ. Lille, CNRS, Centrale Lille, ENSCL, Univ. Artois, UMR 8181 - UCCS - Unité de Catalyse et Chimie du Solide, F-59000 Lille (France); Berrier, E. [Univ. Lille, CNRS, Centrale Lille, ENSCL, Univ. Artois, UMR 8181 - UCCS - Unité de Catalyse et Chimie du Solide, F-59000 Lille (France); Waele, I. de [Université de Lille, CNRS, UMR 8516 – LASIR - Laboratoire de Spectrochimie Infrarouge et Raman, F-59000 Lille (France); Arab, M.; Amaraggi, D.; Morel, B. [Hall de Recherche de Pierrelatte, AREVA NC, BP 16, 26701 Pierrelatte (France); Abraham, F. [Univ. Lille, CNRS, Centrale Lille, ENSCL, Univ. Artois, UMR 8181 - UCCS - Unité de Catalyse et Chimie du Solide, F-59000 Lille (France)

2017-01-15

The thermal decomposition of uranyl peroxide tetrahydrate, (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2}.2H{sub 2}O, was studied by combining high temperature powder X-ray diffraction, scanning electron microscopy, thermal analyses and spectroscopic techniques (Raman, IR and {sup 1}H NMR). In situ analyses reveal that intermediates and final uranium oxides obtained upon heating are different from that obtained after cooling at room temperature and that the uranyl precursor used to synthesize (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2}·2H{sub 2}O, sulfate or nitrate, has a strong influence on the peroxide thermal behavior and morphology. The decomposition of (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2}·2H{sub 2}O ex sulfate is pseudomorphic and leads to needle-like shaped particles of metastudtite, (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2}, and UO{sub 3-x}(OH){sub 2x}·zH{sub 2}O, an amorphous phase found in air in the following of (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2} dehydration. (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2}·2H{sub 2}O and the compounds resulting from its thermal decomposition are very reactive towards hydrofluorination as long as their needle-like morphology is kept.

Removal of Organic Dyes from Industrial Wastewaters Using UV/H2O2, UV/H2O2/Fe (II, UV/H2O2/Fe (III Processes

Directory of Open Access Journals (Sweden)

Nezamaddin Daneshvar

2007-03-01

Full Text Available UV/H2O2, UV/H2O2/Fe (II and UV/H2O2/Fe (III processes are very effective in removing pollutants from wastewater and can be used for treatment of dyestuff units wastewaters. In this study, Rhodamine B was used as a typical organic dye. Rhodamine B has found wide applications in wax, leather, and paper industries. The results from this study showed that this dye was degradable in the presence of hydrogen peroxide under UV-C irradiation (30W mercury light and Photo-Fenton process. The dye was resistant to UV irradiation. In the absence of UV irradiation, the decolorization efficiency was very negligible in the presence of hydrogen. The effects of different system variables such as initial dye concentration, duration of UV irradiation, and initial hydrogen peroxide concentration were investigated in the UV/H2O2 process. Investigation of the kinetics of the UV/H2O2 process showed that the semi-log plot of the dye concentration versus time was linear, suggesting a first order reaction. It was found that Rhodamine B decolorization efficiencies in the UV/H2O2/Fe (II and UV/H2O2/Fe (III processes were higher than that in the UV/H2O2 process. Furthermore, a solution containing 20 ppm of Rhodamine B was decolorized in the presence 18 mM of H2O2 under UV irradiation for 15 minutes. It was also found that addition of 0.1 mM Fe(II or Fe(III to the solution containing  20  ppm of the dye and 5 mM H2O2 under UV light  illumination decreased removal time to 10 min.

The solubility of gold in H 2 O-H 2 S vapour at elevated temperature and pressure

Science.gov (United States)

Zezin, Denis Yu.; Migdisov, Artashes A.; Williams-Jones, Anthony E.

2011-09-01

This experimental study sheds light on the complexation of gold in reduced sulphur-bearing vapour, specifically, in H 2O-H 2S gas mixtures. The solubility of gold was determined in experiments at temperatures of 300, 350 and 365 °C and reached 2.2, 6.6 and 6.3 μg/kg, respectively. The density of the vapour varied from 0.02 to 0.22 g/cm 3, the mole fraction of H 2S varied from 0.03 to 0.96, and the pressure in the cell reached 263 bar. Statistically significant correlations of the amount of gold dissolved in the fluid with the fugacity of H 2O and H 2S permit the experimental data to be fitted to a solvation/hydration model. According to this model, the solubility of gold in H 2O-H 2S gas mixtures is controlled by the formation of sulphide or bisulphide species solvated by H 2S or H 2O molecules. Formation of gold sulphide species is favoured statistically over gold bisulphide species and thus the gold is interpreted to dissolve according to reactions of the form: Au(s)+(n+1)HS(g)=AuS·(HS)n(g)+H(g) Au(s)+HS(g)+mHO(g)=AuS·(HO)m(g)+H(g) Equilibrium constants for Reaction (A1) and the corresponding solvation numbers ( K A1 and n) were evaluated from the study of Zezin et al. (2007). The equilibrium constants as well as the hydration numbers for Reaction (A2) ( K A2 and m) were adjusted simultaneously by a custom-designed optimization algorithm and were tested statistically. The resulting values of log K A2 and m are -15.3 and 2.3 at 300 and 350 °C and -15.1 and 2.2 at 365 °C, respectively. Using the calculated stoichiometry and stability of Reactions (A1) and (A2), it is now possible to quantitatively evaluate the contribution of reduced sulphur species to the transport of gold in aqueous vapour at temperatures up to 365 °C. This information will find application in modelling gold ore-forming processes in vapour-bearing magmatic hydrothermal systems, notably those of epithermal environments.

Reference value standards and primary standards for pH measurements in D2O and aqueous-organic solvent mixtures: new accessions and assessments

International Nuclear Information System (INIS)

Mussini, P.R.; Mussini, T.; Rondinini, S.

1997-01-01

Recommended Reference Value Standards based on the potassium hydro-genphthalate buffer at various temperatures are reported for pH measurements in various binary solvent mixtures of water with eight organic solvents: methanol, ethanol, 2-propanol, 1,2-ethanediol, 2-methoxyethanol (''methylcellosolve''), acetonitrile, 1,4-dioxane, and dimethyl sulfoxide, together with Reference Value Standard based on the potassium deuterium phthalate buffer for pD measurements in D 2 O. In addition are reported Primary Standards for pH based on numerous buffers in various binary solvent mixtures of water with methanol, ethanol, and dimethyl sulfoxide, together with Primary Standards for pD in D 2 O based on the citrate, phosphate and carbonate buffers. (author)

Photogeneration of H2O2 in Water-Swollen SPEEK/PVA Polymer Films.

Science.gov (United States)

Lockhart, PaviElle; Little, Brian K; Slaten, B L; Mills, G

2016-06-09

Efficient reduction of O2 took place via illumination with 350 nm photons of cross-linked films containing a blend of sulfonated poly(ether etherketone) and poly(vinyl alcohol) in contact with air-saturated aqueous solutions. Swelling of the solid macromolecular matrices in H2O enabled O2 diffusion into the films and also continuous extraction of the photogenerated H2O2, which was the basis for a method that allowed quantification of the product. Peroxide formed with similar efficiencies in films containing sulfonated polyketones prepared from different precursors and the initial photochemical process was found to be the rate-determining step. Generation of H2O2 was most proficient in the range of 4.9 ≤ pH ≤ 8 with a quantum yield of 0.2, which was 10 times higher than the efficiencies determined for solutions of the polymer blend. Increases in temperature as well as [O2] in solution were factors that enhanced the H2O2 generation. H2O2 quantum yields as high as 0.6 were achieved in H2O/CH3CN mixtures with low water concentrations, but peroxide no longer formed when film swelling was suppressed. A mechanism involving reduction of O2 by photogenerated α-hydroxy radicals from the polyketone in competition with second-order radical decay processes explains the kinetic features. Higher yields result from the films because cross-links present in them hinder diffusion of the radicals, limiting their decay and enhancing the oxygen reduction pathway.

Synthesis and crystal structures of new complexes of Np(V) glycolate with 2,2'-bipyridine, [NpO2(C10H8N2)(OOC2H2OH)].1.5H2O and [NpO2(C10H8N2)(OOC2H2OH)].2.5H2O

International Nuclear Information System (INIS)

Charushnikova, I.A.; Krot, N.N.; Starikova, Z.A.

2009-01-01

Single crystals were prepared, and the structures of two complexes of Np(V) glycolate with 2,2'-bipyridine of the compositions [NpO 2 (C 10 H 8 N 2 )(OOC 2 H 2 OH)].1.5H 2 O (I) and [NpO 2 (C 10 H 8 N 2 )(OOC 2 H 2 OH)]2.5H 2 O (II) were studied. The structures of the compounds are based on neptunyl-glycolate chains in which the glycolate anion manifests its complexation ability in different manner. In structure I, the bidentate-bridging anion links the adjacent NpO 2 - cations through the oxygen atoms of the carboxylate group. The neptunyl-glycolate chains of I exhibits the mutual coordination of the NpO 2 - cations acting toward each other simultaneously as ligands and coordinating centers. In compound II, the glycolate anion is bidentately coordinated to one neptunium atom to form a planar five-membered metallocycle [NpOCCO]. The O atom external with respect to the metallocycle is in the coordination environment of the adjacent neptunyl. The nitrogen-containing molecular ligand Bipy is included into the coordination environment of Np. The coordination polyhedron of the Np atoms in both structures is a pentagonal bipyramid in which the average Np-N bond length is 2.666 Aa (I) and 2.596 Aa (II). (orig.)

Crystal structures of ZnCl2·2.5H2O, ZnCl2·3H2O and ZnCl2·4.5H2O

Directory of Open Access Journals (Sweden)

Erik Hennings

2014-12-01

Full Text Available The formation of different complexes in aqueous solutions is an important step in understanding the behavior of zinc chloride in water. The structure of concentrated ZnCl2 solutions is governed by coordination competition of Cl− and H2O around Zn2+. According to the solid–liquid phase diagram, the title compounds were crystallized below room temperature. The structure of ZnCl2·2.5H2O contains Zn2+ both in a tetrahedral coordination with Cl− and in an octahedral environment defined by five water molecules and one Cl− shared with the [ZnCl4]2− unit. Thus, these two different types of Zn2+ cations form isolated units with composition [Zn2Cl4(H2O5] (pentaaqua-μ-chlorido-trichloridodizinc. The trihydrate {hexaaquazinc tetrachloridozinc, [Zn(H2O6][ZnCl4]}, consists of three different Zn2+ cations, one of which is tetrahedrally coordinated by four Cl− anions. The two other Zn2+ cations are each located on an inversion centre and are octahedrally surrounded by water molecules. The [ZnCl4] tetrahedra and [Zn(H2O6] octahedra are arranged in alternating rows parallel to [001]. The structure of the 4.5-hydrate {hexaaquazinc tetrachloridozinc trihydrate, [Zn(H2O6][ZnCl4]·3H2O}, consists of isolated octahedral [Zn(H2O6] and tetrahedral [ZnCl4] units, as well as additional lattice water molecules. O—H...O hydrogen bonds between the water molecules as donor and ZnCl4 tetrahedra and water molecules as acceptor groups leads to the formation of a three-dimensional network in each of the three structures.

X-ray fluorescence analysis of Cr6+ component in mixtures of Cr2O3 and K2CrO4

International Nuclear Information System (INIS)

Tochio, Tatsunori; Sakakura, Shusuke; Oohashi, Hirofumi

2010-01-01

X-ray fluorescence analysis using Cr K α spectra was applied to the determination of the mixing ratio of Cr 6+ to (Cr 6+ + Cr 3+ ) in several mixtures of K 2 CrO 4 and Cr 2 O 3 . Because the powder of K 2 CrO 4 contained large particles that were more than 50 μm in diameter, it was ground between a pestle and a mortar for about 8 h. The coarse particles still remaining were removed by using a sieve with 325-mesh (44 μm) in order to reduce the difference in absorption effects between emissions from Cr 6+ and those from Cr 3+ . The mixing ratio, K 2 CrO 4 /(K 2 CrO 4 + Cr 2 O 3 ), of the five mixtures investigated is 0.50, 0.40, 0.20, 0.10, and 0.05 in weight, respectively. Each spectrum obtained was analyzed by decomposing it into two reference spectra, those of the two pure materials, K 2 CrO 4 and Cr 2 O 3 , with a constant background. The results for the mixtures containing K 2 CrO 4 of more than 20 wt% are that the relative deviation from the true value is less than ∼5%. On the other hand, when the content of K 2 CrO 4 decreases to less than 10 wt%, the relative deviation gets so large as 20 - 25%. The error coming from a peak separation of spectrum involved in our results were estimated by applying our method to five sets of data for each mixture computationally generated, taking into account the uncertainty in total counts of real measurements. (author)

X-ray fluorescence analysis of Cr(6+) component in mixtures of Cr(2)O(3) and K(2)CrO(4).

Science.gov (United States)

Tochio, Tatsunori; Sakakura, Shusuke; Oohashi, Hirofumi; Mizota, Hirohisa; Zou, Yanhui; Ito, Yoshiaki; Fukushima, Sei; Tanuma, Shigeo; Shoji, Takashi; Fujimura, Hajime; Yamashita, Michiru

2010-01-01

X-ray fluorescence analysis using Cr K(alpha) spectra was applied to the determination of the mixing ratio of Cr(6+) to (Cr(6+) + Cr(3+)) in several mixtures of K(2)CrO(4) and Cr(2)O(3). Because the powder of K(2)CrO(4) contained large particles that were more than 50 microm in diameter, it was ground between a pestle and a mortar for about 8 h. The coarse particles still remaining were removed by using a sieve with 325-mesh (44 microm) in order to reduce the difference in absorption effects between emissions from Cr(6+) and those from Cr(3+). The mixing ratio, K(2)CrO(4)/(K(2)CrO(4) + Cr(2)O(3)), of the five mixtures investigated is 0.50, 0.40, 0.20, 0.10, and 0.05 in weight, respectively. Each spectrum obtained was analyzed by decomposing it into two reference spectra, those of the two pure materials, K(2)CrO(4) and Cr(2)O(3), with a constant background. The results for the mixtures containing K(2)CrO(4) of more than 20 wt% are that the relative deviation from the true value is less than approximately 5%. On the other hand, when the content of K(2)CrO(4) decreases to less than 10 wt%, the relative deviation gets so large as 20 - 25%. The error coming from a peak separation of spectrum involved in our results were estimated by applying our method to five sets of data for each mixture computationally generated, taking into account the uncertainty in total counts of real measurements.

Continuous infra-red measurement using an interference filter, dosage of H{sub 2}O - D{sub 2}O mixtures; Doseur continu infra-rouge a filtre interferentiel dosage des melanges H{sub 2}O - D{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Ceccaldi, M; Goujon, P [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1964-07-01

In this report is described original work leading to the construction of an apparatus for the continuous measurement of the isotopic content of H{sub 2}O - D{sub 2}O mixtures. The measurement is based on an application of the Beer-Lambert law to the {gamma}{sub OH} band of HDO (3400 cm{sup -1}). The conditions of measurement are given. The apparatus is a double-beam device in which the wave length selection is obtained with an interference filter together with a modulator acting as a pass-band filter. The large-surface pneumatic detector using capacity changes has made it possible to obtain a simple optical set-up. Various results are presented. If sufficient precautions are taken to maintain the apparatus and the water at a constant temperature it is possible to carry out measurements with a precision of {+-} 0.002, or else to detect concentration differences of 0.001 per cent in the case of heavy waters containing more than 99.5 per cent of D{sub 2}O. (authors) [French] Dans ce memoire original il est decrit la realisation d'un appareil destine a mesurer en continu la teneur isotopique des melanges H{sub 2}O-D{sub 2}O. La mesure est basee sur l'application de la loi de Beer-Lambert a la bande {gamma}{sub OH} de HDO (3400 cm{sup -1}). Les conditions de mesure sont precisees. L'appareil est un dispositif 'double-faisceau' dans lequel la selection des longueurs d'onde est obtenue par un filtre interferentiel associe a un modulateur travaillant en filtre passe-bande. Le detecteur pneumatique, de grande surface, a variation de capacite, a permis un montage optique simple. Divers resultats sont presentes. En prenant la precaution de maintenir constante la temperature de l'appareil et de l'eau on peut effectuer des mesures a {+-} 0,002 pour cent pres, ou mettre en evidence des ecarts de teneur de 0,001 pour cent pour des eaux lourdes de titre superieur a 99,5 pour cent. (auteurs)

Potential hydroxyl ultraviolet laser. [Ar-H/sub 2/O

Energy Technology Data Exchange (ETDEWEB)

Chen, C H; Payne, M G

1976-09-01

A strong emission band extending from 3060 to 3120 A was observed following proton beam excitation of an Ar--H/sub 2/O mixture. This emission band was assigned to the transition of OH(A/sup 2/Sigma/sup +/)/sub nu=o/ ..-->.. OH(X/sup 2/Pi)/sub nu=o/. At high argon partial pressure (> 200 torr), the precursor of this emission band is believed to be the argon excimer Ar/sup *//sub 2/(1/sub u/). The fluorescence efficiency of Ar--H/sub 2/O is estimated to be a factor of 4 times that of Ar--N/sub 2/. Development of a highly efficient, tunable uv laser by e-beam pumping is promising.

Experimental and kinetic modeling study of C2H4 oxidation at high pressure

DEFF Research Database (Denmark)

Lopez, Jorge Gimenez; Rasmussen, Christian Lund; Alzueta, Maria

2009-01-01

of conditions (0.003-100 bar, 200-3000 K). The results indicate that at 60 bar and medium temperatures vinyl peroxide, rather than CH2O and HCO, is the dominant product. The experiments, involving C2H4/O-2 mixtures diluted in N-2, were carried out in a high pressure flow reactor at 600-900 K and 60 bar, varying......A detailed chemical kinetic model for oxidation of C2H4 in the intermediate temperature range and high pressure has been developed and validated experimentally. New ab initio calculations and RRKM analysis of the important C2H3 + O-2 reaction was used to obtain rate coefficients over a wide range...

Influence of H{sub 2}O{sub 2} on LPG fuel performance evaluation

Energy Technology Data Exchange (ETDEWEB)

Khan, Muhammad Saad, E-mail: iqbalmouj@gmail.com; Ahmed, Iqbal, E-mail: iqbalmouj@gmail.com; Mutalib, Mohammad Ibrahim bin Abdul, E-mail: iqbalmouj@gmail.com; Nadeem, Saad, E-mail: iqbalmouj@gmail.com; Ali, Shahid, E-mail: iqbalmouj@gmail.com [Department of Chemical Engineering, Faculty of Engineering, Universiti Teknologi PETRONAS, Bandar Seri Iskandar, 31750 Tronoh, Perak (Malaysia)

2014-10-24

The objective of this mode of combustion is to insertion of hydrogen peroxide (H{sub 2}O{sub 2}) to the Liquefied Petroleum Gas (LPG) combustion on spark plug ignition engines. The addition of hydrogen peroxide may probably decrease the formation of NO{sub x}, CO{sub x} and unburned hydrocarbons. Hypothetically, Studies have shown that addition of hydrogen peroxide to examine the performance of LPG/H{sub 2}O{sub 2} mixture in numerous volumetric compositions starting from lean LPG until obtaining a better composition can reduce the LPG fuel consumption. The theory behind this idea is that, the addition of H{sub 2}O{sub 2} can cover the lean operation limit, increase the lean burn ability, diminution the burn duration along with controlling the exhaust emission by significantly reducing the greenhouse gaseous.

Synthesis of Nanoscale CaO-Al2O3-SiO2-H2O and Na2O-Al2O3-SiO2-H2O Using the Hydrothermal Method and Their Characterization

Directory of Open Access Journals (Sweden)

Jingbin Yang

2017-06-01

Full Text Available C-A-S-H (CaO-Al2O3-SiO2-H2O and N-A-S-H (Na2O-Al2O3-SiO2-H2O have a wide range of chemical compositions and structures and are difficult to separate from alkali-activated materials. Therefore, it is difficult to analyze their microscopic properties directly. This paper reports research on the synthesis of C-A-S-H and N-A-S-H particles with an average particle size smaller than 300 nm by applying the hydrothermal method. The composition and microstructure of the products with different CaO(Na2O/SiO2 ratios and curing conditions were characterized using XRD, the RIR method, FTIR, SEM, TEM, and laser particle size analysis. The results showed that the C-A-S-H system products with a low CaO/SiO2 ratio were mainly amorphous C-A-S-H gels. With an increase in the CaO/SiO2 ratio, an excess of Ca(OH2 was observed at room temperature, while in a high-temperature reaction system, katoite, C4AcH11, and other crystallized products were observed. The katoite content was related to the curing temperature and the content of Ca(OH2 and it tended to form at a high-temperature and high-calcium environment, and an increase in the temperature renders the C-A-S-H gels more compact. The main products of the N-A-S-H system at room temperature were amorphous N-A-S-H gels and a small amount of sodalite. An increase in the curing temperature promoted the formation of the crystalline products faujasite and zeolite-P. The crystallization products consisted of only zeolite-P in the high-temperature N-A-S-H system and its content were stable above 70%. An increase in the Na2O/SiO2 ratio resulted in more non-bridging oxygen and the TO4 was more isolated in the N-A-S-H structure. The composition and microstructure of the C-A-S-H and N-A-S-H system products synthesized by the hydrothermal method were closely related to the ratio of the raw materials and the curing conditions. The results of this study increase our understanding of the hydration products of alkali

Single-molecule magnets: structure and properties of [Mn18O14(O2CMe)18(hep)4(hepH)2(H2O)2](ClO4)2 with spin S = 13.

Science.gov (United States)

Brechin, E K; Sañudo, E C; Wernsdorfer, W; Boskovic, C; Yoo, J; Hendrickson, D N; Yamaguchi, A; Ishimoto, H; Concolino, T E; Rheingold, A L; Christou, G

2005-02-07

The reaction of 2-(hydroxyethyl)pyridine (hepH) with a 2:1 molar mixture of [Mn3O(O2CMe)6(py)3]ClO4 and [Mn3O(O2CMe)6(py)3] in MeCN afforded the new mixed-valent (16Mn(III), 2Mn(II)), octadecanuclear complex [Mn18O14(O2CMe)18(hep)4(hepH)2(H2O)2](ClO4)2 (1) in 20% yield. Complex 1 crystallizes in the triclinic space group P. Direct current magnetic susceptibility studies in a 1.0 T field in the 5.0-300 K range, and variable-temperature variable-field dc magnetization studies in the 2.0-4.0 K and 2.0-5.0 T ranges were obtained on polycrystalline samples. Fitting of magnetization data established that complex 1 possesses a ground-state spin of S = 13 and D = -0.18 K. This was confirmed by the value of the in-phase ac magnetic susceptibility signal. Below 3 K, the complex exhibits a frequency-dependent drop in the in-phase signal, and a concomitant increase in the out-of-phase signal, consistent with slow magnetization relaxation on the ac time scale. This suggests the complex is a single-molecule magnet (SMM), and this was confirmed by hysteresis loops below 1 K in magnetization versus dc field sweeps on a single crystal. Alternating current and direct current magnetization data were combined to yield an Arrhenius plot from which was obtained the effective barrier (U(eff)) for magnetization reversal of 21.3 K. Below 0.2 K, the relaxation becomes temperature-independent, consistent with relaxation only by quantum tunneling of the magnetization (QTM) through the anisotropy barrier via the lowest-energy MS = +/-13 levels of the S = 13 spin manifold. Complex 1 is thus the SMM with the largest ground-state spin to display QTM.

H2O2: A Dynamic Neuromodulator

Science.gov (United States)

Rice, Margaret E.

2012-01-01

Increasing evidence implicates hydrogen peroxide (H2O2) as an intra- and intercellular signaling molecule that can influence processes from embryonic development to cell death. Most research has focused on relatively slow signaling, on the order of minutes to days, via second messenger cascades. However, H2O2 can also mediate subsecond signaling via ion channel activation. This rapid signaling has been examined most thoroughly in the nigrostriatal dopamine (DA) pathway, which plays a key role in facilitating movement mediated by the basal ganglia. In DA neurons of the substantia nigra, endogenously generated H2O2 activates ATP-sensitive K+ (KATP) channels that inhibit DA neuron firing. In the striatum, H2O2 generated downstream from glutamatergic AMPA receptor activation in medium spiny neurons acts as a diffusible messenger that inhibits axonal DA release, also via KATP channels. The source of dynamically generated H2O2 is mitochondrial respiration; thus, H2O2 provides a novel link between activity and metabolism via KATP channels. Additional targets of H2O2 include transient receptor potential (TRP) channels. In contrast to the inhibitory effect of H2O2 acting via KATP channels, TRP channel activation is excitatory. This review describes emerging roles of H2O2 as a signaling agent in the nigrostriatal pathway and other basal ganglia neurons. PMID:21666063

Characterisation of a tertiary mixture of {alpha}-Fe{sub 2}O{sub 3}, {gamma}-Fe{sub 2}O{sub 3} and Fe{sub 3}O{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Srinivasan, M.P.; Narasimhan, S.V. [Water and Steam Chemistry Laboratory (Chemistry Group, BARC) BARC Facilities, Kalpakkam, Tamil Nadu 603 102. (India)

1998-12-31

A method has been developed to quantify the individual components of a ternary mixture containing {alpha}-Fe{sub 2}O{sub 3}, {gamma}- Fe{sub 2}O{sub 3} and Fe{sub 3}O{sub 4} based on the preferential dissolution of the components at a fixed time (fixed time - depending on the strength of the chelating agent) in a dilute chemical formulation (containing a chelant and an organic acid) both in presence and absence of reductant. A ternary component diagram was constructed based on the percentage dissolution of the individual components in 2,6-Pyridine dicarboxylic acid (PDCA), Nitrilo triacetic acid (NTA) and EDTA based formulation at 60degC both in presence and absence of reductant. In these formulations, the observed behaviour that the {alpha}-Fe{sub 2}O{sub 3} dissolved very little both in presence and absence of reductant and {gamma}-Fe{sub 2}O{sub 3} dissolved very little in absence of reductant were used for resolving the ternary physical mixture composition. Physical mixtures of Fe{sub 3}O{sub 4}, {alpha}-Fe{sub 2}O{sub 3} and {gamma}-Fe{sub 2}O{sub 3} based on mole ratio were taken such that the total quantity of Fe present would be 1.37 mM for complete dissolution. In presence and absence of reductant, dissolution percentage of Fe observed at fixed time in these formulations, when fit into the already constructed three component phase diagram for each formulation at the same fixed duration, the experimentally resolved composition showed good agreement with that based on individual components. This method is useful to resolve different polymorphs of metal oxides having the metal ions in single and/or multiple oxidation states. (author)

Effects of CO, O2, NO, H2O, and irradiation temperature on the radiation-induced oxidation of SO2

International Nuclear Information System (INIS)

Tokunaga, Okihiro; Nishimura, Koichi; Suzuki, Nobutake; Washino, Masamitsu

1977-01-01

When a SO 2 -H 2 O-O 2 -N 2 gaseous mixture was irradiated by electron beams of 1.5 MeV, SO 2 was easily oxidized to H 2 SO 4 . Effects of CO, O 2 , NO, H 2 O, and irradiation temperature on the radiation-induced oxidation of SO 2 were studied by measuring the SO 2 concentration gas chromatographically. The G(-SO 2 ) increased greatly at the addition of a small amount of O 2 , and then decreased gradually with an increase in the O 2 concentration, i.e., the G(-SO 2 ) values were 0.9, 8.0, and 5.3 for the 0, 0.1, and 20% O 2 concentrations at 100 0 C, respectively (Fig.4). The G(-SO 2 ) was independent of the H 2 O concentration in the range of 0.84 to 8.4% (Fig.5). The G(-SO 2 ) decreased with a rise in the irradiation temperature (Fig.6) and an apparent activation energy of the oxidation reaction of SO 2 obtained was -4.2 kcal.mol -1 . The effects of CO, NO, and O 2 on the G(-SO 2 ) showed that SO 2 was mainly oxidized by OH and O and that the contribution of OH to the oxidation of SO 2 increased with an increase in the O 2 concentration (Table 1). The rate constants for the reactions of SO 2 with OH and O, obtained from competitive reactions of SO 2 with CO and O 2 , were 5.4 x 10 11 cm 3 .mol -1 .sec -1 and 5.0 x 10 11 cm 3 .mol -1 .sec -1 , respectively. (auth.)

Phase formation in the systems ZrO2-H2SO4-Na2SO4 (NaCl)-H2O

International Nuclear Information System (INIS)

Sozinova, Yu.P.; Motov, D.L.; Rys'kina, M.P.

1988-01-01

Formation of solid phases in the systems ZrO 2 - H 2 SO 4 - Na 2 SO 4 (NaCl) - H 2 O at 25 and 75 deg C is studied. Three basic Na 2 Zr(OH) 2 (SO 4 ) 2 x (0.2 - 0.4)H 2 O, NaZrOH(SO 4 ) 2 x H 2 O, NaZrO 0.5 (OH) 2 SO 4 x 2H 2 O and three normal sodium sulfatozirconates Na 2 Zr(SO 4 ) 3 x 3H 2 O, Na 4 Zr(SO 4 ) 4 x 3H 2 O, Na 6 Zr(SO 4 ) 5 x 4H 2 O have been isolated, their solubility and crystal optical properties are determined

Reactions of 11C recoil atoms in the systems H2O-NH3, H2O-CH4 and NH3-CH4

International Nuclear Information System (INIS)

Nebeling, B.

1988-11-01

In this study the chemical reactions of recoil carbon 11 in the binary gas mixtures H 2 O-NH 3 , H 2 O-CH 4 and NH 3 -CH 4 in different mixing ratios as well as in solid H 2 O and in a solid H 2 O-NH 3 mixture were analyzed in dependence of the dose. The analyses were to serve e.g. the simulation of chemical processes caused by solar wind, solar radiation and cosmic radiation in the coma and core of comets. They were to give further information about the role of the most important biogeneous element carbon, i.e. carbon, in the chemical evolution of the solar system. Besides the actual high energy processes resulting in the so-called primary products, also the radiation-chemical changes of the primary products were also observed in a wide range of dosing. The generation of the energetic 11 C atoms took place according to the target composition by the nuclear reactions 14 N(p,α) 11 C, 12 C( 3 He,α) 11 C or the 16 O(p,αpn) 11 C reaction. The identification of the products marked with 11 C was carried out by means of radio gas chromatography or radio liquid chromatography (HPLC). (orig./RB) [de

A chiral mixed carboxylate, [Nd4(H2O)2(OOC(CH2)3COO)4(C2O4)2], exhibiting NLO properties

International Nuclear Information System (INIS)

Vaidhyanathan, R.; Natarajan, Srinivasan; Rao, C.N.R.

2004-01-01

Reaction of a mixture of neodymium carbonate, HCl, oxamic acid and glutaric acid under hydrothermal conditions gives rise to a new mixed carboxylate of neodymium, [Nd 4 (H 2 O) 2 (OOC(CH 2 ) 3 COO) 4 (C 2 O 4 ) 2 ], I. The structure, determined using single crystal X-ray diffraction, comprises a helical column formed by the grafting of the oxalate unit on to helical NdO 9 chains, cross-linked by the glutarate anions. It is noteworthy that the pitch of the helix is equivalent to the length of the oxalate unit. Furthermore, I shows about 1.1 times the SHG activity of urea

Determination and modeling for the solubility of Na_2WO_4·2H_2O and Na_2MoO_4·2H_2O in the (Na"+ + MoO_4"2"− + WO_4"2"− + SO_4"2"− + H_2O) system

International Nuclear Information System (INIS)

Ning, Pengge; Xu, Weifeng; Cao, Hongbin; Xu, Hongbin

2016-01-01

Highlights: • The solubility of Na_2MoO_4·2H_2O and Na_2WO_4·2H_2O in Na_2MoO_4–Na_2WO_4–Na_2SO_4–H_2O were performed. • The solubility of sodium tungstate dihydrate in Na_2WO_4–Na_2SO_4–H_2O was determined. • The new model was established via regressing the published and the determined data. • The Pitzer parameter and the solubility product constant of the salt in solution were calculated. • The model was used to estimate the solubility of the sodium molybdate and sodium tungstate. - Abstract: The solubility of sodium tungstate dihydrate and sodium molybdate dihydrate in the (Na_2MoO_4 + Na_2WO_4 + Na_2SO_4 + H_2O) system was studied using experimental and calculated methods. The osmotic coefficient of sodium tungstate was fitted to calculate the thermodynamics parameters of (Na_2WO_4 + H_2O) system. The solubility of sodium tungstate dihydrate was determined using the dynamic method in Na_2WO_4–Na_2SO_4–H_2O to establish the new model which can provide an estimate the solubility of sodium tungstate dihydrate in various conditions, combined with the data published, the solubility of sodium tungstate dihydrate and the sodium molybdate dihydrate in quaternary system of (Na_2MoO_4 + Na_2WO_4 + Na_2SO_4 + H_2O) was estimated using the parameters of the two ternary systems of (Na_2WO_4 + Na_2SO_4 + H_2O) and (Na_2MoO_4 + Na_2SO_4 + H_2O). The results show that the AARD is always small and the calculated value is basically consistent with the experimental values for the system studied.

Variable dimensionality and framework found in a series of quaternary zinc selenites, A2Zn3(SeO3)4·xH2O (A = Na, Rb, and Cs; 0≤x≤1) and Cs2Zn2(SeO3)3·2H2O

Science.gov (United States)

Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min

2017-01-01

Five new alkali metal zinc selenites, A2Zn3(SeO3)4·xH2O (A = Na, Rb, and Cs; 0≤x≤1) and Cs2Zn2(SeO3)3·2H2O have been synthesized by heating a mixture of ZnO, SeO2 and A2CO3 (A = Na, Rb, and Cs), and characterized by X-ray diffraction (XRD) and spectroscopic analyses techniques. All of the reported materials revealed a rich structural chemistry with different frameworks and connection modes of Zn2+. While Rb2Zn3(SeO3)4 and Cs2Zn3(SeO3)4·H2O revealed three-dimensional frameworks consisting of isolated ZnO4 tetrahedra and SeO3 polyhedra, Na2Zn3(SeO3)4, Cs2Zn3(SeO3)4, and Cs2Zn2(SeO3)3·2H2O contained two-dimensional [Zn3(SeO3)4]2- layers. Specifically, whereas isolated ZnO4 tetrahedra and SeO3 polyhedra are arranged into two-dimensional [Zn3(SeO3)4]2- layers in two cesium compounds, circular [Zn3O10]14- chains and SeO3 linkers are formed in two-dimensional [Zn3(SeO3)4]2- layers in Na2Zn3(SeO3)4. Close structural examinations suggest that the size of alkali metal is significant in determining the framework geometry as well as connection modes of transition metal cations.

D/H fractionation in the H2-H2O system at supercritical water conditions: Compositional and hydrogen bonding effects

Science.gov (United States)

Foustoukos, Dionysis I.; Mysen, Bjorn O.

2012-06-01

O-D⋯O environment. This difference allows enhanced gas solubility in the denser and more polar H2O clusters, and thus, affects the D/H exchange between the H2-D2 volatiles and the coexisting H2O-D2O mixtures. The proposed role of temperature in promoting differences in the density and polarity of hydrogen-bonded OHO and ODO molecules may be explained with isotope-specific molar volume effects similar to those suggested to account for the hydrogen isotope fractionation between H2O and hydroxide mineral phases (e.g. brucite) across large pressure intervals.

Promotion of H2 production by microwave-assisted treatment of water hyacinth with dilute H2SO4 through combined dark fermentation and photofermentation

International Nuclear Information System (INIS)

Cheng, Jun; Xia, Ao; Su, Huibo; Song, Wenlu; Zhou, Junhu; Cen, Kefa

2013-01-01

Highlights: • Water hyacinth is microwaved with dilute H 2 SO 4 to improve enzymatic hydrolysis. • Hydrolyzed hyacinth is fermented by hydrogenogens to improve dark H 2 yield. • Nearly 100% glucose and most arabinose in hydrolysate are used in dark fermentation. • H 2 yield from hyacinth via combined fermentation is 75.2% of theoretical H 2 yield. - Abstract: Water hyacinth was treated with microwave-assisted dilute H 2 SO 4 to improve saccharification before enzymatic hydrolysis and H 2 production during dark fermentation. A maximum reducing sugar (RS) yield of 64.4 g/100 g total volatile solid (TVS) (96.1% of the theoretical RS yield) was achieved when water hyacinth was treated through microwave heating with 1% dilute H 2 SO 4 for 15 min at 140 °C and then enzymatically hydrolyzed for 72 h. During enzymatic hydrolysis, glucose was efficiently produced from the hydrolysis of cellulose that resulted from the disruption of the lignocellulosic structure of water hyacinth after microwave-assisted H 2 SO 4 treatment. When the hydrolyzed water hyacinth was inoculated with H 2 -producing bacteria to produce H 2 during dark fermentation, a maximum H 2 yield of 112.3 ml/g TVS was obtained. The major sugar compositions in the residual solution from dark fermentation were xylose and cellobiose (total RS utilization efficiency: 88.5%). Through a combination of dark fermentation and photofermentation, the maximum H 2 yield from water hyacinth was significantly increased from 112.3 ml/g TVS to 751.5 ml/g TVS, which is 75.2% of the theoretical H 2 yield

O2(a1Δ) quenching in O/O2/O3/CO2/He/Ar mixtures

Science.gov (United States)

Azyazov, V. N.; Mikheyev, P. A.; Postell, D.; Heaven, M. C.

2010-02-01

The development of discharge singlet oxygen generators (DSOG's) that can operate at high pressures is required for the power scaling of the discharge oxygen iodine laser. In order to achieve efficient high-pressure DSOG operation it is important to understand the mechanisms by which singlet oxygen (O2(a1Δ)) is quenched in these devices. It has been proposed that three-body deactivation processes of the type O2(a1Δ))+O+M-->2O2+M provide significant energy loss channels. To further explore these reactions the physical and reactive quenching of O2(a1Δ)) in O(3P)/O2/O3/CO2/He/Ar mixtures has been investigated. Oxygen atoms and singlet oxygen molecules were produced by the 248 nm laser photolysis of ozone. The kinetics of O2(a1Δ)) quenching were followed by observing the 1268 nm fluorescence of the O2 a1Δ-X3Ε transition. Fast quenching of O2(a1Δ)) in the presence of oxygen atoms and molecules was observed. The mechanism of the process has been examined using kinetic models, which indicate that quenching by vibrationally excited ozone is the dominant reaction.

Study of nanosecond discharges in H2-air mixtures at atmospheric pressure for plasma assisted combustion applications

Science.gov (United States)

Kobayashi, Sumire; Bonaventura, Zdeněk; Tholin, Fabien; Popov, Nikolay A.; Bourdon, Anne

2017-07-01

This paper presents 2D simulations of nanosecond discharges between two point electrodes for four different H2-air mixtures defined by their equivalence ratios ϕ (i.e. φ =0, air, φ =0.3, lean mixture, φ =1, stoichiometric mixture and φ =1.5, rich mixture) at atmospheric pressure and at an initial temperature of 1000 K. In a first step, we have shown that the mixture composition has only a very small influence on the discharge dynamics and structure during the streamer phase and up to the formation of the plasma channel between the two point electrodes in H2-air mixtures with φ \\in [0,1.5]. However, as the plasma channel is formed slightly earlier as the equivalence ratio increases, for a given voltage pulse, the duration of the nanosecond spark phase increases as the equivalence ratio increases. As expected, we have shown that excited states of N2 (and in particular N2(A)) and radicals (and in particular O(D), O(P), H and OH) are very efficiently produced during the voltage pulse after the start of the spark phase. After the voltage pulse, and up to 100 ns, the densities of excited states of N2 and of O(D) decrease. Conversely, most of the O(P), H and OH radicals are produced after the voltage pulse due to the dissociative quenching of electronically excited N2. As for radicals, the gas temperature starts increasing after the start of the spark phase. For all studied mixtures, the density of O(P) atoms and the gas temperature reach their maxima after the end of the voltage pulse and the densities of O(P), H and OH radicals and the maximal gas temperature increase as the equivalence ratio increases. We have shown that the production of radicals is the highest on the discharge axis and the distribution of species after the voltage pulse and up to 100 ns has a larger diameter between the electrodes than close to both electrode tips. As for species, the temperature distribution presents two hot spots close to the point electrode tips. The non

Simultaneous influence of gas mixture composition and process temperature on Fe2O3->FeO reduction kinetics: neural network modeling

Directory of Open Access Journals (Sweden)

K. Piotrowski

2005-09-01

Full Text Available The kinetics of Fe2O3->FeO reaction was investigated. The thermogravimetric (TGA data covered the reduction of hematite both by pure species (nitrogen diluted CO or H2 and by their mixture. The conventional analysis has indicated that initially the reduction of hematite is a complex, surface controlled process, however once a thin layer of lower oxidation state iron oxides (magnetite, wüstite is formed on the surface, it changes to diffusion control. Artificial Neural Network (ANN has proved to be a convenient tool for modeling of this complex, heterogeneous reaction runs within the both (kinetic and diffusion regions, correctly considering influence of temperature and gas composition effects and their complex interactions. ANN's model shows the capability to mimic some extreme (minimum of the reaction rate within the determined temperature window, while the Arrhenius dependency is of limited use.

Simple radiosensitizing of hypoxic tumor tissues by N2O/Br(-) mixture.

Science.gov (United States)

Billik, P

2015-07-01

The radiosensitization model of hypoxic tumor tissues based on the N2O/Br(-) mixture is described. The well-documented radiolysis of water in the presence of N2O and Br(-) ions at a low concentration supports this model. An aqueous solution saturated with N2O gas during the radiolysis generates OH radicals in a large extent. In N2O/Br- media at pHBr2 is formed. Br2 hydrolyzes in an aqueous solution to form a very reactive hypobromous (HOBr) acid. Such process is described by the following chemical reaction: H2O + Br(-) + N2O + ionizing radiation (IR) --> HOBr + OH(-). In vivo formed HOBr as a long-lived product with a high biological activity induces the hypoxic tumor cell damage via many unique mechanisms. A local application or inhalation of an N2O-O2 mixture before or during the radiotherapy to enhance the saturation of tissues with N2O is a key prerequisite. Since the extracellular concentration of Br(-) ions is very low (0.02-0.05 mM), an oral or local application of NaBr should be used to shift the extracellular concentration of Br(-) ions to the mM region. Copyright © 2015 Elsevier Ltd. All rights reserved.

Formation of Nanodroplets in N₂/H₂O/SO₂ under Irradiation of Fast Proton Beams

DEFF Research Database (Denmark)

Nakai, Youchi; Shigeoka, Tomita; Funada, Shuhei

of the droplet growth in thebinary nucleation process of water and H2SO4.We have performed irradiation of proton beam on the gas mixture of N2/H2O/SO2 andAir/H2O/SO2. The reduction of SO2 concentration by beam irradiation was monitored usingan SO2 meter and the size distributions of generated droplets were...

A model for radiolysis of water and aqueous solutions of H2, H2O2 and O2

International Nuclear Information System (INIS)

Ershov, B.G.; Gordeev, A.V.

2008-01-01

Kinetic model for the radiolysis of pure water describing the formation of H 2 , H 2 O 2 and O 2 and the radiation chemical transformations of aqueous solutions containing these compounds over a broad range of concentrations, pH, absorbed doses and dose rates is proposed and substantiated. The model includes a set of chemical reactions with optimized rate constants and the radiation chemical yields of radiolysis products. The model applicability to the description of the whole set of data on the radiation chemical transformations of water and aqueous solutions of H 2 , H 2 O 2 and O 2 is demonstrated

Resolution of the mixture TBP-H2 MPB-HDB-PH3PO4

International Nuclear Information System (INIS)

Pires, M.A.F.; Abrao, A.

1980-01-01

Tributylphosphate (TBP) is presently the most used extractant for uranium, thorium and zirconium technologies, both for the purification of these elements from their concentrates and for the recovery of heavy metals in the reprocessing of irradiated fuels. Nevertheless, in the presence of phosphoric acid, some degradation products are formed, such as: di-n-butylphosphoric acid (HDBP), monobutylphosphoric ancd (H 2 MBP) and ortophosphoric acid. The accumulation of these degradation products in the organic phase of the liquid-liquid extraction processes is highly undesirable. In order to avoid this problem, the separation of the mixture HDBP, H 2 MBP and H 3 PO 4 in TBP-dilutent or TBP-diluent-uranyl, thorium of zirconyl nitrate was then studied. Several separation techniques were investigated: adsorption using a cationic resin saturated with U(VI), chromatogtraphy in macroporous polymers, chromatography in alumina columns. Refractive index and condutimetric measurements were carried out to follow up the separation processes. The best results were obtained in an alumina column. (C.L.B.) [pt

Electrocatalytic activity of LaNiO3 toward H2O2 reduction reaction: Minimization of oxygen evolution

Science.gov (United States)

Amirfakhri, Seyed Javad; Meunier, Jean-Luc; Berk, Dimitrios

2014-12-01

The catalytic activity of LaNiO3 toward H2O2 reduction reaction (HPRR), with a potential application in the cathode side of fuel cells, is studied in alkaline, neutral and acidic solutions by rotating disk electrode. The LaNiO3 particles synthesised by citrate-based sol-gel method have sizes between 30 and 70 nm with an active specific surface area of 1.26 ± 0.05 m2 g-1. LaNiO3 shows high catalytic activity toward HPRR in 0.1 M KOH solution with an exchange current density based on the active surface area (j0A) of (7.4 ± 1) × 10-6 A cm-2 which is noticeably higher than the j0A of N-doped graphene. The analysis of kinetic parameters suggests that the direct reduction of H2O2, H2O2 decomposition, O2 reduction and O2 desorption occur through HPRR on this catalyst. In order to control and minimize oxygen evolution from the electrode surface, the effects of catalyst loading, bulk concentration of H2O2, and using a mixture of LaNiO3 and N-doped graphene are studied. Although the mechanism of HPRR is independent of the aforementioned operating conditions, gas evolution decreases by increasing the catalyst loading, decreasing the bulk concentration of H2O2, and addition of N-doped graphene to LaNiO3.

Amine–mixed oxide hybrid materials for carbon dioxide adsorption from CO2/H2 mixture

Science.gov (United States)

Ravi, Navin; Aishah Anuar, Siti; Yusuf, Nur Yusra Mt; Isahak, Wan Nor Roslam Wan; Shahbudin Masdar, Mohd

2018-05-01

Bio-hydrogen mainly contains hydrogen and high level of carbon dioxide (CO2). High concentration of CO2 lead to a limitation especially in fuel cell application. In this study, the amine-mixed oxide hybrid materials for CO2 separation from bio-hydrogen model (50% CO2:50% H2) have been studied. Fourier-transform infrared spectroscopy (FTIR) and x-ray diffraction (XRD) characterizations showed that the amine–mixed oxide hybrid materials successfully adsorbed CO2 physically with no chemical adsorption evidence. The dry gas of CO2/H2 mixture adsorbed physically on amine–CuO–MgO hybrid material. No carbonates were detected after several times of adsorption, which indicated the good recyclability of adsorbents. The adsorbent system of diethanolamine (DEA)/15% CuO–75% MgO showed the highest CO2 adsorption capacity of 21.2 wt% due to the presence of polar substance on MgO surface, which can adsorb CO2 at ambient condition. The alcohol group of DEA can enhance the CO2 solubility on the adsorbent surface. In the 20% CuO–50% MgO adsorbent system, DEA as amine type showed a high CO2 adsorption of 19.4 wt%. The 10% amine loading system showed that the DEA adsorption system provided high CO2 adsorption. The BET analysis confirmed that a high amine loading contributed to the decrease in CO2 adsorption due to the low surface area of the adsorbent system.

Study of ZrO2-H2SO4-(NH4)2SO4(NH4Cl)-H2O systems

International Nuclear Information System (INIS)

Motov, D.L.; Sozinova, Yu.P.; Rys'kina, M.P.

1988-01-01

Regions of formation, composition and solubility of ammonium sulfatozirconates (ASZ) in ZrO 2 -H 2 SO 4 -(NH 4 ) 2 SO 4 (NH 4 Cl)-H 2 O systems at 25 and 75 deg C are studied by the isothermal method. Five ASZ: (NH 4 ) 2 Zr(OH) 2 (SO 4 ) 2 , NH 4 ZrOH(SO 4 ) 2 xH 2 O, NH 4 ZrO 0.5 (OH) 2 SO 4 x1.5H 2 O, (NH 4 ) 2 Zr(SO 4 ) 3 x2H 2 O, (NH 4 ) 4 Zr(SO 4 ) 4 x4H 2 O are detected, their properties are investigated. Main sulfates are new compounds never described ealier

Overtone vibrational spectroscopy in H2-H2O complexes: a combined high level theoretical ab initio, dynamical and experimental study.

Science.gov (United States)

Ziemkiewicz, Michael P; Pluetzer, Christian; Nesbitt, David J; Scribano, Yohann; Faure, Alexandre; van der Avoird, Ad

2012-08-28

First results are reported on overtone (v(OH) = 2 ← 0) spectroscopy of weakly bound H(2)-H(2)O complexes in a slit supersonic jet, based on a novel combination of (i) vibrationally mediated predissociation of H(2)-H(2)O, followed by (ii) UV photodissociation of the resulting H(2)O, and (iii) UV laser induced fluorescence on the nascent OH radical. In addition, intermolecular dynamical calculations are performed in full 5D on the recent ab initio intermolecular potential of Valiron et al. [J. Chem. Phys. 129, 134306 (2008)] in order to further elucidate the identity of the infrared transitions detected. Excellent agreement is achieved between experimental and theoretical spectral predictions for the most strongly bound van der Waals complex consisting of ortho (I = 1) H(2) and ortho (I = 1) H(2)O (oH(2)-oH(2)O). Specifically, two distinct bands are seen in the oH(2)-oH(2)O spectrum, corresponding to internal rotor states in the upper vibrational manifold of Σ and Π rotational character. However, none of the three other possible nuclear spin modifications (pH(2)-oH(2)O, pH(2)-pH(2)O, or oH(2)-pH(2)O) are observed above current signal to noise level, which for the pH(2) complexes is argued to arise from displacement by oH(2) in the expansion mixture to preferentially form the more strongly bound species. Direct measurement of oH(2)-oH(2)O vibrational predissociation in the time domain reveals lifetimes of 15(2) ns and <5(2) ns for the Σ and Π states, respectively. Theoretical calculations permit the results to be interpreted in terms of near resonant energy levels and intermolecular alignment of the H(2) and H(2)O wavefunctions, providing insight into predissociation dynamical pathways from these metastable levels.

Structural and thermal studies of H2La2/3Ta2O7, a protonated layered perovskite

International Nuclear Information System (INIS)

Le Berre, F.; Crosnier-Lopez, M.P.; Fourquet, J.L.

2006-01-01

We have synthesised the new protonated layered perovskite H 2 La 2/3 Ta 2 O 7 which is related to the Ruddlesden-Popper family. This compound is obtained by ionic exchange starting from Li 2 La 2/3 Ta 2 O 7 maintained in dilute HNO 3 at 60 deg. C. Thermal X-ray diffraction and DTA/TGA revealed interesting dehydration properties with formation of a layered anhydrous phase leading at higher temperature (1550 deg. C) to La 1/3 TaO 3 . This latter compound exhibits the original lanthanum ordering expected similarly to that of the Li form, while at 900 deg. C a metastable form, presenting a disordered La distribution, is observed

Ab initio studies of O-2(-) (H2O)(n) and O-3(-) (H2O)(n) anionic molecular clusters, n

DEFF Research Database (Denmark)

Bork, Nicolai Christian; Kurten, T.; Enghoff, Martin Andreas Bødker

2011-01-01

that anionic O-2(-)(H2O)n and O-3(-)(H2O)n clusters are thermally stabilized at typical atmospheric conditions for at least n = 5. The first 4 water molecules are strongly bound to the anion due to delocalization of the excess charge while stabilization of more than 4 H2O is due to normal hydrogen bonding....... Although clustering up to 12 H2O, we find that the O-2 and O-3 anions retain at least ca. 80 % of the charge and are located at the surface of the cluster. The O-2(-) and O-3(-) speicies are thus accessible for further reactions. We consider the distributions of cluster sizes as function of altitude before...

Thermochemistry of the solution of β-alanine in (H2O + alcohol) mixtures at 298.15 K

International Nuclear Information System (INIS)

Smirnov, Valeriy I.; Badelin, Valentin G.

2013-01-01

Highlights: • Enthalpies of β-alanine dissolution have been measured in aqueous solution of MeOH, EtOH, 1-PrOH and 2-PrOH. • Measured data were reported as functions of composition of water + alcohol mixtures. • Enthalpy coefficients of pairwise interactions have been analyzed in terms of McMillan–Mayer theory. - Abstract: The enthalpies of the solution of β-alanine in H 2 O + (methanol, ethanol, 1-propanol and 2-propanol) mixtures with alcohol content up to 0.4 mol fractions, have been determined calorimetrically at T = 298.15 K. The standard enthalpies of the solution and transfer of β-alanine from water to aqueous alcohol have been calculated. The effect of structure properties of a mixed solvent on specified enthalpy characteristics of β-alanine is discussed. The enthalpy coefficients of pairwise interactions between β-alanine and alcohol molecules have been computed. It has been found that these coefficients become increasingly positive in methanol, ethanol, 1-propanol, and 2-propanol sequence. A comparative analysis of thermodynamic characteristics of dissolution of β-alanine and D,L-α-alanine in the mixtures studied has been made

Structure of solid H2-D2 mixtures

International Nuclear Information System (INIS)

Krupskij, I.N.; Kovalenko, S.I.; Krajnyukova, N.V.

1978-01-01

The structure of vapor deposited H 2 -D 2 solid mixtures is investigated. The electron-diffraction examination has been carried out in the temperature range from 2.3K up to the sample sublimation temperature, taking place in case of H 2 at T approximately 5K and D 2 -at T approximately 7K. On the basis of the difractogramm obtained it is shown that in solid films of pure components a FCC structure with parameters asub(Hsub(2))=5.310+-0.01A and asub(Osub(2))=5.100+-0.005A is realized, the structure being metastable in the temperature range. The existence of non-limitted solubility in solid two-component condensates is stated. The decay absence at T approximately 5K, when molecula mobility is enough for the transition of metastable FCC structure into HCP, is in good agreement with the results of experimental and theoretical estimations, according to which the decay critical temperature should not exceed 4K. The existance of the continuous series of solutions at lower temperatures is explained by a small coefficient value of a volumetric and surface diffusion of molecula as well

Vibrational spectroscopy of NO + (H2O)n: Evidence for the intracluster reaction NO + (H2O)n --> H3O + (H2O)n - 2 (HONO) at n => 4

Science.gov (United States)

Choi, Jong-Ho; Kuwata, Keith T.; Haas, Bernd-Michael; Cao, Yibin; Johnson, Matthew S.; Okumura, Mitchio

1994-05-01

Infrared spectra of mass-selected clusters NO+(H2O)n for n=1 to 5 were recorded from 2700 to 3800 cm-1 by vibrational predissociation spectroscopy. Vibrational frequencies and intensities were also calculated for n=1 and 2 at the second-order Møller-Plesset (MP2) level, to aid in the interpretation of the spectra, and at the singles and doubles coupled cluster (CCSD) level energies of n=1 isomers were computed at the MP2 geometries. The smaller clusters (n=1 to 3) were complexes of H2O ligands bound to a nitrosonium ion NO+ core. They possessed perturbed H2O stretch bands and dissociated by loss of H2O. The H2O antisymmetric stretch was absent in n=1 and gradually increased in intensity with n. In the n=4 clusters, we found evidence for the beginning of a second solvation shell as well as the onset of an intracluster reaction that formed HONO. These clusters exhibited additional weak, broad bands between 3200 and 3400 cm-1 and two new minor photodissociation channels, loss of HONO and loss of two H2O molecules. The reaction appeared to go to completion within the n=5 clusters. The primary dissociation channel was loss of HONO, and seven vibrational bands were observed. From an analysis of the spectrum, we concluded that the n=5 cluster rearranged to form H3O+(H2O)3(HONO), i.e., an adduct of the reaction products.

Hydrothermal synthesis and structural characterization of an organic–inorganic hybrid sandwich-type tungstoantimonate [Cu(en)2(H2O)]4[Cu(en)2(H2O)2][Cu2Na4(α-SbW9O33)2]·6H2O

International Nuclear Information System (INIS)

Liu, Yingjie; Cao, Jing; Wang, Yujie; Li, Yanzhou; Zhao, Junwei; Chen, Lijuan; Ma, Pengtao; Niu, Jingyang

2014-01-01

An organic–inorganic hybrid sandwich-type tungstoantimonate [Cu(en) 2 (H 2 O)] 4 [Cu(en) 2 (H 2 O) 2 ][Cu 2 Na 4 (α-SbW 9 O 33 ) 2 ]·6H 2 O (1) has been synthesized by reaction of Sb 2 O 3 , Na 2 WO 4 ·2H 2 O, CuCl 2 ·2H 2 O with en (en=ethanediamine) under hydrothermal conditions and structurally characterized by elemental analysis, inductively coupled plasma atomic emission spectrometry, IR spectrum and single-crystal X-ray diffraction. 1 displays a centric dimeric structure formed by two equivalent trivacant Keggin [α-SbW 9 O 33 ] 9− subunits sandwiching a hexagonal (Cu 2 Na 4 ) cluster. Moreover, those related hexagonal hexa-metal cluster sandwiched tungstoantimonates have been also summarized and compared. The variable-temperature magnetic measurements of 1 exhibit the weak ferromagnetic exchange interactions within the hexagonal (Cu 2 Na 4 ) cluster mediated by the oxygen bridges. - Graphical abstract: An organic–inorganic hybrid (Cu 2 Na 4 ) sandwiched tungstoantimonate [Cu(en) 2 (H 2 O)] 4 [Cu (en) 2 (H 2 O) 2 ][Cu 2 Na 4 (α-SbW 9 O 33 ) 2 ]·6H 2 O was synthesized and magnetic properties was investigated. Display Omitted - Highlights: • Organic–inorganic hybrid sandwich-type tungstoantimonate. • (Cu 2 Na 4 sandwiched) tungstoantimonate [Cu 2 Na 4 (α-SbW 9 O 33 ) 2 ] 10− . • Ferromagnetic tungstoantimonate

Reactions of POxCly- ions with O2(a 1[Delta]g), H2O, and Cl2 at 298 K

Science.gov (United States)

Midey, Anthony J.; Dotan, Itzhak; Viggiano, A. A.

2008-06-01

The rate constants and product branching ratios for the reactions of phosphorus oxychloride anions, POxCly- for x = 1-2 and y = 1-3, with O2(a 1[Delta]g), Cl2, and H2O have been measured in a selected ion flow tube (SIFT) at 298 K. A mixture of O2(a 1[Delta]g) in O2 has been produced using a recently designed chemical singlet oxygen generator (sparger) with an emission detection scheme adopted previously in our laboratory. The experiments continue a series of investigations into the oxidation reactions of POxCly- ions, searching for pathways to the terminal PO2- and PO3- ions observed in combustion chemistry with POCl3 present. None of the POxCly- ions react with H2O or O2(a 1[Delta]g). The O2(a 1[Delta]g) rate constants have a limit of <1 × 10-11 cm3 s-1, except for PO2Cl- where a limit of <5 × 10-11 cm3 s-1 has been determined. The H2O rate constants have limits of <1 × 10-11 cm3 s-1. All of the POxCly- ions react with Cl2, excluding PO3- and PO2Cl2-. Depending on the reactant ion, Cl-, Cl2- or PO2Cl2- product ions form.

DFT Calculation of IR Absorption Spectra for PCE-nH2O, TCE-nH2O, DCE-nH2O, VC-nH2O for Small and Water-Dominated Molecular Clusters

Science.gov (United States)

2017-10-31

VC-nH2O for Small and Water-Dominated Molecular Clusters October 31, 2017 Approved for public release; distribution is unlimited. L. Huang S.g...Calculation of IR Absorption Spectra for PCE-nH2O, TCE-nH2O, DCE-nH2O, VC-nH2O for Small and Water-Dominated Molecular Clusters L. Huang,1 S.G...nH2O molecular clusters using density function theory (DFT). DFT can provide interpretation of absorption spectra with respect to molecular

Kinetic removal of haloacetonitrile precursors by photo-based advanced oxidation processes (UV/H2O2, UV/O3, and UV/H2O2/O3).

Science.gov (United States)

Srithep, Sirinthip; Phattarapattamawong, Songkeart

2017-06-01

The objective of the study is to evaluate the performance of conventional treatment process (i.e., coagulation, flocculation, sedimentation and sand filtration) on the removals of haloacetonitrile (HAN) precursors. In addition, the removals of HAN precursors by photo-based advanced oxidation processes (Photo-AOPs) (i.e., UV/H 2 O 2 , UV/O 3 , and UV/H 2 O 2 /O 3 ) are investigated. The conventional treatment process was ineffective to remove HAN precursors. Among Photo-AOPs, the UV/H 2 O 2 /O 3 was the most effective process for removing HAN precursors, followed by UV/H 2 O 2 , and UV/O 3 , respectively. For 20min contact time, the UV/H 2 O 2 /O 3 , UV/H 2 O 2 , and UV/O 3 suppressed the HAN formations by 54, 42, and 27% reduction. Increasing ozone doses from 1 to 5 mgL -1 in UV/O 3 systems slightly improved the removals of HAN precursors. Changes in pH (6-8) were unaffected most of processes (i.e., UV, UV/H 2 O 2 , and UV/H 2 O 2 /O 3 ), except for the UV/O 3 system that its efficiency was low in the weak acid condition. The pseudo first-order kinetic constant for removals of dichloroacetonitrile precursors (k' DCANFP ) by the UV/H 2 O 2 /O 3 , UV/H 2 O 2 and standalone UV systems were 1.4-2.8 orders magnitude higher than the UV/O 3 process. The kinetic degradation of dissolved organic nitrogen (DON) tended to be higher than the k' DCANFP value. This study firstly differentiates the kinetic degradation between DON and HAN precursors. Copyright © 2017 Elsevier Ltd. All rights reserved.

Redetermination of Ce[B5O8(OH(H2O]NO3·2H2O

Directory of Open Access Journals (Sweden)

Ya-Xi Huang

2012-05-01

Full Text Available The crystal structure of Ce[B5O8(OH(H2O]NO3·2H2O, cerium(III aquahydroxidooctaoxidopentaborate nitrate dihydrate, has been redetermined from single-crystal X-ray diffraction data. In contrast to the previous determination [Li et al. (2003. Chem. Mater. 15, 2253–2260], the present study reveals the location of all H atoms, slightly different fundamental building blocks (FBBs of the polyborate anions, more reasonable displacement ellipsoids for all non-H atoms, as well as a model without disorder of the nitrate anion. The crystal structure is built from corrugated polyborate layers parallel to (010. These layers, consisting of [B5O8(OH(H2O]2− anions as FBBs, stack along [010] and are linked by Ce3+ ions, which exhibit a distorted CeO10 coordination sphere. The layers are additionally stabilized via O—H...O hydrogen bonds between water molecules and nitrate anions, located at the interlayer space. The [BO3(H2O]-group shows a [3 + 1] coordination and is considerably distorted from a tetrahedral configuration. Bond-valence-sum calculation shows that the valence sum of boron is only 2.63 valence units (v.u. when the contribution of the water molecule (0.49 v.u. is neglected.

The surface chemistry of Cu in the presence of CO2 and H2O

Energy Technology Data Exchange (ETDEWEB)

Deng, Xingyi; Verdaguer, Albert; Herranz, Tirma; Weis, Christoph; Bluhm, Hendrik; Salmeron, Miquel

2008-07-16

The chemical nature of copper and copper oxide (Cu{sub 2}O) surfaces in the presence of CO{sub 2} and H{sub 2}O at room temperature was investigated using ambient pressure x-ray photoelectron spectroscopy. The studies reveal that in the presence of 0.1 torr CO{sub 2} several species form on the initially clean Cu, including carbonate CO{sub 3}{sup 2}, CO{sub 2}{sup {delta}-} and C{sup 0}, while no modifications occur on an oxidized surface. The addition of 0.1 ML Zn to the Cu results in the complete conversion of CO{sub 2}{sup {delta}-} to carbonate. In a mixture of 0.1 torr H{sub 2}O and 0.1 torr CO{sub 2}, new species are formed, including hydroxyl, formate and methoxy, with H{sub 2}O providing the hydrogen needed for the formation of hydrogenated species.

Investigation of the Na2(H2PO2)2 - Ba(H2PO2)2 - H2O Water-Salt Ternary System at Room Temperature

OpenAIRE

Erge, Hasan; Turan, Hakan; Kul, Ali Riza

2016-01-01

Objective: In this study, the solubility, density, conductivity and phase equilibria of the Na2(H2PO2)2-Ba(H2PO2)2-H2O ternary system located in the structure of the Na+, Ba2+, (H2PO2)-//H2O quaternary reciprocal water-salt system were investigated using physicochemical analysis methods. Material and Methods: Riedel-de Haen and Merck salts were used to investigate the solubility and phase equilibria of the Na2(H2PO2)2 -Ba(H2PO2)2-H2O ternary water–salt system at room temperature Res...

Selective photocatalytic reduction of CO{sub 2} by H{sub 2}O/H{sub 2} to CH{sub 4} and CH{sub 3}OH over Cu-promoted In{sub 2}O{sub 3}/TiO{sub 2} nanocatalyst

Energy Technology Data Exchange (ETDEWEB)

Tahir, Muhammad, E-mail: mtahir@cheme.utm.my [Chemical Reaction Engineering Group (CREG), Faculty of Chemical and Energy Engineering, Universiti Teknologi Malaysia, 81310, UTM, Johor Bahru, Johor (Malaysia); Department of Chemical Engineering, COMSATS Institute of Information Technology, Lahore, Punjab (Pakistan); Tahir, Beenish; Saidina Amin, Nor Aishah; Alias, Hajar [Chemical Reaction Engineering Group (CREG), Faculty of Chemical and Energy Engineering, Universiti Teknologi Malaysia, 81310, UTM, Johor Bahru, Johor (Malaysia)

2016-12-15

Highlights: • Cu-promoted In{sub 2}O{sub 3}/TiO{sub 2} nanocatalysts tested for CO{sub 2} photoreduction with H{sub 2}O/H{sub 2}. • Production of CH{sub 4} and CH{sub 3}OH depends on reductants type and metal-loading to TiO{sub 2}. • CH{sub 4} production over Cu-In/TiO{sub 2} was 1.5 fold more than In/TiO{sub 2} and 5 times the TiO{sub 2}. • The Cu-promoted CH{sub 3}OH production while In gave more CH{sub 4} with water vapors. • The H{sub 2} reductant gave negative effect for CH{sub 4} but enhanced CH{sub 3}OH production. - Abstract: Photocatalytic CO{sub 2} reduction by H{sub 2}O and/or H{sub 2} reductant to selective fuels over Cu-promoted In{sub 2}O{sub 3}/TiO{sub 2} photocatalyst has been investigated. The samples, prepared via a simple and direct sol-gel method, were characterized by XRD, SEM, TEM, XPS, N{sub 2} adsorption-desorption, UV–vis diffuse reflectance, Raman and PL spectroscopy. Cu and In loaded into TiO{sub 2}, oxidized as Cu{sup 2+} and In{sup 3+}, promoted efficient separation of photo-generated electron/hole pairs (e{sup −}/h{sup +}). The results indicate that the reduction rate of CO{sub 2} by H{sub 2}O to CH{sub 4} approached to 181 μmol g{sup −1} h{sup −1} using 0.5% Cu-3% In{sub 2}O{sub 3}/TiO{sub 2} catalyst, a 1.53 fold higher than the production rate over the 3% In{sub 2}O{sub 3}/TiO{sub 2} and 5 times the amount produced over the pure TiO{sub 2}. In addition, Cu was found to promote efficient production of CH{sub 3}OH and yield rate reached to 68 μmol g{sup −1} h{sup −1} over 1% Cu-3% In{sub 2}O{sub 3}/TiO{sub 2} catalyst. This improvement was attributed to charge transfer property and suppressed recombination rate by Cu-metal. More importantly, H{sub 2} reductant was less favorable for CH{sub 4} production, yet a significant amount of CH{sub 4} and CH{sub 3}OH were obtained using a mixture of H{sub 2}O/H{sub 2} reductant. Therefore, Cu-loaded In{sub 2}O{sub 3}/TiO{sub 2} catalyst has shown to be capable for

Comparison of UVC/S2O8 2- with UVC/H2O2 in terms of efficiency and cost for the removal of micropollutants from groundwater

DEFF Research Database (Denmark)

Antoniou, Maria; Andersen, Henrik Rasmus

2015-01-01

' concentrations were tested with atrazine alone and in the micropollutants' mixture and it was decided to use 11.8mgL(-1) S2O8(2-) and 14.9mgL(-1) H2O2 for further testing since is closer to industrial applications and to minimize the residual oxidant concentration. Changes of the matrix composition......This study compared the UVC/S2O8(2-) system with the more commonly used AOP in water industry, UVC/H2O2, and examined whether the first one can be an economically feasible alternative technology. Atrazine and 4 volatile compounds (methyl tert-butyl ether, cis-dichlorethen, 1,4-dioxane and 1......-through reactor to simulate industrial applications. Initial experiments on the activation of oxidants with a LP lamp indicated that S2O8(2-) is photolysed about 2.3times faster than H2O2 and that the applied treatment times were not sufficient to utilize the majority of the oxidant. The effect of oxidants...

Determination of local concentration of H2O molecules and gas temperature in the process of hydrogen – oxygen gas mixture heating by means of linear and nonlinear laser spectroscopy

International Nuclear Information System (INIS)

Kozlov, D N; Kobtsev, V D; Stel'makh, O M; Smirnov, Valery V; Stepanov, E V

2013-01-01

Employing the methods of linear absorption spectroscopy and nonlinear four-wave mixing spectroscopy using laserinduced gratings we have simultaneously measured the local concentrations of H 2 O molecules and the gas temperature in the process of the H 2 – O 2 mixture heating. During the measurements of the deactivation rates of pulsed-laser excited singlet oxygen O 2 (b 1 Σ + g ) in collisions with H 2 in the range 294 – 850 K, the joint use of the two methods made it possible to determine the degree of hydrogen oxidation at a given temperature. As the mixture is heated, H 2 O molecules are formed by 'dark' reactions of H 2 with O 2 in the ground state. The experiments have shown that the measurements of tunable diode laser radiation absorption along an optical path through the inhomogeneously heated gas mixture in a cell allows high-accuracy determination of the local H 2 O concentration in the O 2 laser excitation volume, if the gas temperature in this volume is known. When studying the collisional deactivation of O 2 (b 1 Σ + g ) molecules, the necessary measurements of the local temperature can be implemented using laser-induced gratings, arising due to spatially periodic excitation of O 2 (X 3 Σ - g ) molecules to the b 1 Σ + g state by radiation of the pump laser of the four-wave mixing spectrometer. (laser spectroscopy)

Ab initio studies of O2-(H2O)n and O3-(H2O)n anionic molecular clusters, n≤12

DEFF Research Database (Denmark)

Bork, Nicolai Christian; Kurtén, T.; Enghoff, Martin Andreas Bødker

2011-01-01

that anionic O2−(H2O)n and O3−(H2O)n clusters are thermally stabilized at typical atmospheric conditions for at least n = 5. The first 4 water molecules are strongly bound to the anion due to delocalization of the excess charge while stabilization of more than 4 H2O is due to normal hydrogen bonding. Although...... clustering up to 12 H2O, we find that the O2 and O3 anions retain at least ca. 80 % of the charge and are located at the surface of the cluster. The O2− and O3− speicies are thus accessible for further reactions. Finally, the thermodynamics of a few relevant cluster reactions are considered....

Effect of hydration on the amide I band in the binary solvents dioxane-D2O and dioxane-H2O

International Nuclear Information System (INIS)

Kobayashi, M.; Kobayashi, M.

1980-01-01

Hydration of amides in aqueous solutions has been studied by measuring the infrared spectra of amides (benzamide, p-methoxybenzamide, and ropionamide) in dioxane-D 2 O and dioxane-H 2 O mixtures. The absorption due to the C=O stretching (or amide I band) exhibited a very remarkable red shift accompanied by a characteristic change of the band shape as the water content in the medium increased. The spectral change is attributed to the change of the hydration state at the carbonyl oxygen. In the aqueous mixtures, amide molecules participate in an equilibrium among various states of hydration. The weighted mean frequency of the ν/sub C = O/ absorption, anti ν/sub C = O/, varied in proportion to the water contained in the medium. The difference between the anti ν/sub C = O/ value in pure water and that in pure dioxane,Δ anti ν, was used as a measure of the maximum degree of hydration. It was larger for propionamide than for the aromatic amides, suggesting that the steric effect of the substituents is of major importance in hydration. The isotope effect, Δ anti ν/sub D 2 O//Δ anti ν/sub H 2 O/, in the range from 1.4 to 1.6 for all cases examined, indicated that stronger hydration of amides occurred with D 2 O than with H 2 O

An open-framework three-dimensional indium oxalate: [In(OH)(C2O4)(H2O)]3.H2O

International Nuclear Information System (INIS)

Yang Sihai; Li Guobao; Tian Shujian; Liao Fuhui; Lin Jianhua

2005-01-01

By hydrothermal reaction of In 2 O 3 with H 2 C 2 O 4 .2H 2 O in the presence of H 3 BO 3 at 155 deg. C, an open-framework three-dimensional indium oxalate of formula [In(OH)(C 2 O 4 )(H 2 O)] 3 .H 2 O (1) has been obtained. The compound crystallizes in the trigonal system, space group R3c with a=18.668(3)A, c=7.953(2)A, V=2400.3(7)A 3 , Z=6, R 1 =0.0352 at 298K. The small pores in 1 are filled with water molecules. It loses its filled water at about 180 deg. C without the change of structure, then the bounded water at 260 deg. C, and completely decompounds at 324 deg. C. The residue is confirmed to be In 2 O 3

Descent Without Modification? The Thermal Chemistry of H2O2 on Europa and Other Icy Worlds

Science.gov (United States)

Loeffler, Mark Josiah; Hudson, Reggie Lester

2015-01-01

The strong oxidant H2O2 is known to exist in solid form on Europa and is suspected to exist on several other Solar System worlds at temperatures below 200 K. However, little is known of the thermal chemistry that H2O2 might induce under these conditions. Here, we report new laboratory results on the reactivity of solid H2O2 with eight different compounds in H2O-rich ices. Using infrared spectroscopy, we monitored compositional changes in ice mixtures during warming. The compounds CH4 (methane), C3H4 (propyne), CH3OH (methanol), and CH3CN (acetonitrile) were unaltered by the presence of H2O2 in ices, showing that exposure to either solid H2O2 or frozen H2O+H2O2 at cryogenic temperatures will not oxidize these organics, much less convert them to CO2. This contrasts strongly with the much greater reactivity of organics with H2O2 at higher temperatures, and particularly in the liquid and gas phases. Of the four inorganic compounds studied, CO, H2S, NH3, and SO2, only the last two reacted in ices containing H2O2, NH3 making NHþ 4 and SO2 making SO2 4 by H+ and e - transfer, respectively. An important astrobiological conclusion is that formation of surface H2O2 on Europa and that molecule's downward movement with H2O-ice do not necessarily mean that all organics encountered in icy subsurface regions will be destroyed by H2O2 oxidation.

Dehydration of Sugar Mixture to HMF and Furfural over SO42-/ZrO2-TiO2 Catalyst

Directory of Open Access Journals (Sweden)

Junhua Zhang

2014-05-01

Full Text Available A series of sulfated zirconia-titanium dioxide (SO42-/ZrO2-TiO2 catalysts with different Zr-Ti molar ratios were prepared by a precipitation and impregnation method and characterized by ammonia adsorption/ temperature programmed desorption (NH3-TPD, X-ray diffraction (XRD, and X-ray photoelectron spectroscopy (XPS techniques. The catalysts were used in the catalytic conversion of a sugar mixture (glucose and xylose to 5-hydroxymethylfurfural and furfural in a water/n-butanol reaction system. An optimized yield of 26.0 mol% for 5-hydroxymethylfurfural and 47.5 mol% for furfural was obtained within 2 h at 170 °C over the SO42-/ZrO2-TiO2 catalyst with a Zr-Al molar ratio of 7:3. Catalysts with higher acidity and moderate basicity were more favorable for the formation of the target product.

H{sub 2}-Ar dilution for improved c-Si quantum dots in P-doped SiN{sub x}:H thin film matrix

Energy Technology Data Exchange (ETDEWEB)

Liu, Jia [Shaanxi Engineering Lab for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi’an 710119 (China); Zhang, Weijia, E-mail: zwjghx@126.com [Center of Condensed Matter and Material Physics, School of Physics and Nuclear Energy Engineering, Beihang University, Beijing, 100191 (China); Liu, Shengzhong, E-mail: szliu@dicp.ac.cn [Shaanxi Engineering Lab for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi’an 710119 (China); State key Laboratory of Catalysis, iChEM, Dalian Institute of Chemical Physics, Dalian National Laboratory for Clean Energy, Chinese Academy of Sciences, Dalian 116023 (China)

2017-02-28

Highlights: • Phosphorous-doped SiN{sub x}:H thin films containing c-Si QDs were prepared by PECVD in H{sub 2}-Ar mixed dilution under low temperature. • QD density and QD size can be controlled by tuning H{sub 2}/Ar flow ratio. • The sample prepared at the H{sub 2}/Ar flow ratio of 100/100 possesses both wide band gap and excellent conductivity. • Detail discussion has been presented for illustrating the influence of H{sub 2}/Ar mixed dilution on the crystallization process and P-doping. - Abstract: Phosphorus-doped hydrogenated silicon nitride (SiN{sub x}:H) thin films containing crystalline silicon quantum dot (c-Si QD) was prepared by plasma enhanced chemical vapor deposition (PECVD) using hydrogen-argon mixed dilution. The effects of H{sub 2}/Ar flow ratio on the structural, electrical and optical characteristics of as-grown P-doped SiN{sub x}:H thin films were systematically investigated. Experimental results show that crystallization is promoted by increasing the H{sub 2}/Ar flow ratio in dilution, while the N/Si atomic ratio is higher for thin film deposited with argon-rich dilution. As the H{sub 2}/Ar flow ratio varies from 100/100 to 200/0, the samples exhibit excellent conductivity owing to the large volume fraction of c-Si QDs and effective P-doping. By adjusting the H{sub 2}/Ar ratio to 100/100, P-doped SiN{sub x}:H thin film containing tiny and densely distributed c-Si QDs can be obtained. It simultaneously possesses wide optical band gap and high dark conductivity. Finally, detailed discussion has been made to analyze the influence of H{sub 2}-Ar mixed dilution on the properties of P-doped SiN{sub x}:H thin films.

Thermodynamic properties of binary mixtures of 2,2,2-trifluoroethanol with water or alkanols at T=298.15K

International Nuclear Information System (INIS)

Minamihonoki, Takashi; Ogawa, Hideo; Nomura, Hiroyasu; Murakami, Sachio

2007-01-01

Excess molar enthalpies (H m E ) and excess molar volume (V m E ) at T=298.15K for binary mixtures of {2,2,2-trifluoroethanol (TFE)+water or alcohols (methanol, ethanol, 1-propanol)} were obtained by calorimetry and densimetry. Excess molar enthalpies for the (TFE+water) system showed endothermic mixing, except for the low TFE concentration range (x 1 C ). Excess molar volumes were positive over the whole range of concentration and increase with n C . Moreover, we estimated excess partial molar enthalpy (H m,i E,∼ ) and volume (V m,i E,∼ ) at infinite dilution from the experimental results. These results were discussed qualitatively from the viewpoint of the intermolecular interactions in the pure component liquids and the mixtures

Enhancement of the electrical characteristics of MOS capacitors by reducing the organic content of H2O-diluted Spin-On-Glass based oxides

International Nuclear Information System (INIS)

Molina, Joel; Munoz, Ana; Torres, Alfonso; Landa, Mauro; Alarcon, Pablo; Escobar, Manuel

2011-01-01

In this work, the physical, chemical and electrical properties of Metal-Oxide-Semiconductor (MOS) capacitors with Spin-On-Glass (SOG)-based thin films as gate dielectric have been investigated. Experiments of SOG diluted with two different solvents (2-propanol and deionized water) were done in order to reduce the viscosity of the SOG solution so that thinner films (down to ∼20 nm) could be obtained and their general characteristics compared. Thin films of SOG were deposited on silicon by the sol-gel technique and they were thermally annealed using conventional oxidation furnace and Rapid Thermal Processing (RTP) systems within N 2 ambient after deposition. SOG dilution using non-organic solvents like deionized water and further annealing (at relatively high temperatures ≥450 deg. C) are important processes intended to reduce the organic content of the films. Fourier-Transform Infrared (FTIR) Spectroscopy results have shown that water-diluted SOG films have a significant reduction in their organic content after increasing annealing temperature and/or dilution percentage when compared to those of undiluted SOG films. Both current-voltage (I-V) and capacitance-voltage (C-V) measurements show better electrical characteristics for SOG-films diluted in deionized water compared to those diluted in 2-propanol (which is an organic solvent). The electrical characteristics of H 2 O-diluted SOG thin films are very similar to those obtained from high quality thermal oxides so that their application as gate dielectrics in MOS devices is promising. Finally, it has been demonstrated that by reducing the organic content of SOG-based thin films, it is possible to obtain MOS devices with better electrical properties.

Laminar Flame Velocity and Temperature Exponent of Diluted DME-Air Mixture

Science.gov (United States)

Naseer Mohammed, Abdul; Anwar, Muzammil; Juhany, Khalid A.; Mohammad, Akram

2017-03-01

In this paper, the laminar flame velocity and temperature exponent diluted dimethyl ether (DME) air mixtures are reported. Laminar premixed mixture of DME-air with volumetric dilutions of carbon dioxides (CO2) and nitrogen (N2) are considered. Experiments were conducted using a preheated mesoscale high aspect-ratio diverging channel with inlet dimensions of 25 mm × 2 mm. In this method, flame velocities are extracted from planar flames that were stabilized near adiabatic conditions inside the channel. The flame velocities are then plotted against the ratio of mixture temperature and the initial reference temperature. A non-linear power law regression is observed suitable. This regression analysis gives the laminar flame velocity at the initial reference temperature and temperature exponent. Decrease in the laminar flame velocity and increase in temperature exponent is observed for CO2 and N2 diluted mixtures. The addition of CO2 has profound influence when compared to N2 addition on both flame velocity and temperature exponent. Numerical prediction of the similar mixture using a detailed reaction mechanism is obtained. The computational mechanism predicts higher magnitudes for laminar flame velocity and smaller magnitudes of temperature exponent compared to experimental data.

Hydrothermal synthesis and crystal structure of CsFe23(HPO4)2(PO4)(H2O)

International Nuclear Information System (INIS)

Anisimova, N.Yu.; Ilyukhin, A.B.; Chudinova, N.N.; Serafin, M.

2001-01-01

The double acid iron-cesium orthophosphate CsFe 2 3 (HPO 4 ) 2 (PO 4 )(H 2 O) was prepared by hydrothermal synthesis (from the Fe 2 O 3 , Cs 2 CO 3 and H 3 PO 4 mixture at 290 Deg C during 1 h following by cooling to 25 Deg C). Its crystal structure (a = 5.021(3), b = 15.80(1), c = 13.646(8), β 94.49(4) Deg, sp. gr. P2 1 /n, Z = 4) was analyzed by X-ray diffraction. The structure is formed by the orthophosphate tetrahedrons and the FeO 6 octahedrons, the water molecule is coordinated by the iron atom [ru

Using H2O2 as oxidant in leaching of uranium ores. The new research on the reaction of H2O2 with Fe2+

International Nuclear Information System (INIS)

Gao Xizhen

1997-05-01

The new research on the reaction of H 2 O 2 with Fe 2+ has been studied. Through determining the electric potential, pH and O 2 release during the mutual titration between H 2 O 2 solution and FeSO 4 solution, deduced the chemical equations of H 2 O 2 (without free hydroxyl) oxidizing FeSO 4 and Fe 2 (SO 4 ) 3 oxidizing H 2 O 2 . The research results show that acid is a catalytic agent for decomposing H 2 O 2 to be O 2 and H 2 O besides iron ions. The maximum oxidizing potential is up to about 640 mV. While using H 2 O 2 as an oxidant in uranium heap leaching and in-situ leaching, controlling electric potential can be regarded as a method for adjusting the feeding speed of H 2 O 2 to keep the electric potential below 500 mV, thus the H 2 O 2 decomposition can be reduced. (13 refs., 3 tabs., 1 fig.)

Repairable and nonrepairable inactivation of irradiated aqueous papain: effect of OH, O2-, e/sub aq-/, and H2O2

International Nuclear Information System (INIS)

Lin, W.S.; Clement, J.R.; Gaucher, G.M.; Armstrong, D.A.

1975-01-01

Repairable inactivation of papain irradiated in dilute aqueous solutions saturated with air or nitrous oxide is caused predominantly by reversible oxidation of Cys 25 SH by H 2 O 2 . The same process occurs in nitrogen-saturated solutions but the yield of repairable product decreases at higher doses, probably because of the consumption of H 2 O 2 by intermediates formed from e - /sub aq/ and papain. The OH radical produces only nonrepairable damage, with the fraction of the OH radical causing nonrepairable inactivation (f/sub OH//sup n.r./) equal to 0.1 and this is accompanied by, if not solely due to, SH loss. The O 2 - radical with f/sub O 2 //sup -n.r. = 0.4 also causes nonrepairable damage resulting from or accompanied by SH loss. In addition, there is evidence that every O 2 - reacts with papain to produce a hydrogen peroxide molecule, thus causing a marked increase in the repairable yield. The solvated electron for which f/sub e//Sup n.r./ is 0.07 does not appear to destroy Cys 25 SH, and must, therefore, inactivate papain by damaging other essential residues or changing the active site geometry. The inactivation yields for the present papain solutions prepared by affinity chromatography are compared with other work. Discrepancies in previous determinations of sulfhydryl loss are attributed to the special properties of the sulfenic acid product of the H 2 O 2 -papain reaction and its different effects on pHMB and DTNB assays. (U.S.)

A Feasibility Study on UO2/ZrO2 Mixture Melting using Induction Skull Melting Method

International Nuclear Information System (INIS)

Hong, S. W.; Kim, J. H.; Kim, H. D.

1998-01-01

Using ISM(Induction Skull Melting) method, which is usually used for the crystallization of refractory materials, a feasibility study on melting of the UO 2 /ZrO 2 mixture(w/o 8:2) is carried out. Frequency, one of main design parameters for ISM, is determined from electrical resistance of UO 2 /ZrO 2 mixture. Heat loss from the crucible for UO 2 /ZrO 2 20kg melting is predicted by comparison with the existing experimental data for UO , ZrO 2 , and ThO 2 . The analysis shows that melting and superheating of the UO 2 /ZrO 2 mixture using induction skull melting method is possible. To attain the superheat of 300K for 20 kg of UO 2 /ZrO 2 , 100kHz, 100 kW power input for induction coil, and 570L/min coolant flow rate are found to be required. The results of this feasibility study will be adopted for designing UO 2 /ZrO 2 furnace using actual corium material at KAERI

Assembly of cerium(III)-stabilized polyoxotungstate nanoclusters with SeO{sub 3}{sup 2-}/TeO{sub 3}{sup 2-} templates. From single polyoxoanions to inorganic hollow spheres in dilute solution

Energy Technology Data Exchange (ETDEWEB)

Chen, Wei-Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo [Institute of Functional Materials Chemistry, Key Laboratory of Polyoxometalate Science of Ministry of Education, Department of Chemistry, Northeast Normal University, Changchun (China); Li, Hao-Long [State Key Laboratory of Supramolecular Structure and Materials, College of Chemistry, Jilin University. Changchun (China)

2013-08-12

A versatile one-pot strategy was employed to synthesize three cerium(III)-stabilized polyoxotungstates nanoclusters by combining cerium linkers and SeO{sub 3}{sup 2-}/TeO{sub 3}{sup 2-} heteroanion templates: K{sub 32}Na{sub 16}[{(XO_3)W_1_0O_3_4}{sub 8}{Ce_8(H_2O)_2_0}(WO{sub 2}){sub 4}-(W{sub 4}O{sub 12})].n H{sub 2}O [X=Se, n=81 (1); X=Te, n=114 (2)] and K{sub 12}Na{sub 22}[{(SeO_3)W_1_0O_3_4}{sub 8}{Ce_8(H_2O)_2_0}(WO{sub 2}){sub 4}-{(W_4O_6)Ce_4(H_2O)_1_4(SeO_3)_4(NO_3)_2}] . 79 H{sub 2}O (3), which are the first lanthanide-containing polyoxotungstates with selenium or tellurium heteroatoms. The three clusters were characterized by single-crystal X-ray structure analysis, IR spectroscopy, thermogravimetric/differential thermal analysis, UV/Vis spectroscopy, ESI-MS, and X-ray photoelectron spectroscopy. Their electrochemical, photoluminescence, and magnetic properties were investigated. Their behavior in solution was studied by transmission electron microscopy, which showed that their single polyoxoanions assemble into intact, uniform-sized, purely inorganic hollow spheres in dilute water/acetone solution. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Variable dimensionality and framework found in a series of quaternary zinc selenites, A2Zn3(SeO3)4·xH2O (A = Na, Rb, and Cs; 0≤x≤1) and Cs2Zn2(SeO3)3·2H2O

International Nuclear Information System (INIS)

Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min

2017-01-01

Five new alkali metal zinc selenites, A 2 Zn 3 (SeO 3 ) 4 ·xH 2 O (A = Na, Rb, and Cs; 0≤x≤1) and Cs 2 Zn 2 (SeO 3 ) 3 ·2H 2 O have been synthesized by heating a mixture of ZnO, SeO 2 and A 2 CO 3 (A = Na, Rb, and Cs), and characterized by X-ray diffraction (XRD) and spectroscopic analyses techniques. All of the reported materials revealed a rich structural chemistry with different frameworks and connection modes of Zn 2+ . While Rb 2 Zn 3 (SeO 3 ) 4 and Cs 2 Zn 3 (SeO 3 ) 4 ·H 2 O revealed three-dimensional frameworks consisting of isolated ZnO 4 tetrahedra and SeO 3 polyhedra, Na 2 Zn 3 (SeO 3 ) 4 , Cs 2 Zn 3 (SeO 3 ) 4 , and Cs 2 Zn 2 (SeO 3 ) 3 ·2H 2 O contained two-dimensional [Zn 3 (SeO 3 ) 4 ] 2- layers. Specifically, whereas isolated ZnO 4 tetrahedra and SeO 3 polyhedra are arranged into two-dimensional [Zn 3 (SeO 3 ) 4 ] 2- layers in two cesium compounds, circular [Zn 3 O 10 ] 14- chains and SeO 3 linkers are formed in two-dimensional [Zn 3 (SeO 3 ) 4 ] 2- layers in Na 2 Zn 3 (SeO 3 ) 4 . Close structural examinations suggest that the size of alkali metal is significant in determining the framework geometry as well as connection modes of transition metal cations. - Graphical abstract: Variable dimensions and frameworks were found in a series of quaternary zinc selenites, A 2 Zn 3 (SeO 3 ) 4 (A = Na, Rb and Cs). - Highlights: • Five novel quaternary zinc selenites are synthesized. • All the selenites with different structures contain polarizable d 10 and lone pair cations. • The size of alkali metal cations is significant in determining the framework geometry.

Vibrational spectra of Cs2Cu(SO4)2·6H2O and Cs2Cu(SeO4)2·nH2O (n = 4, 6) with a crystal structure determination of the Tutton salt Cs2Cu(SeO4)2·6H2O

Science.gov (United States)

Wildner, M.; Marinova, D.; Stoilova, D.

2016-02-01

The solubility in the three-component systems Cs2SO4-CuSO4-H2O and Cs2SeO4-CuSeO4-H2O have been studied at 25 °C. The experimental results show that double salts, Cs2Cu(SO4)2·6H2O and Cs2Cu(SeO4)2·4H2O, crystallize from the ternary solutions within large concentration ranges. Crystals of Cs2Cu(SeO4)2·6H2O were synthesized at somewhat lower temperatures (7-8 °C). The thermal dehydration of the title compounds was studied by TG, DTA and DSC methods and the respective dehydration schemes are proposed. The calculated enthalpies of dehydration (ΔHdeh) have values of: 434.2 kJ mol-1 (Cs2Cu(SeO4)2·6H2O), 280.9 kJ mol-1 (Cs2Cu(SeO4)2·4H2O), and 420.2 kJ mol-1 (the phase transition of Cs2Cu(SO4)2·6H2O into Cs2Cu(SO4)2·H2O). The crystal structure of Cs2Cu(SeO4)2ṡ6H2O was determined from single crystal X-ray diffraction data. It belongs to the group of Tutton salts, crystallizing isotypic to the respective sulfate in a monoclinic structure which is characterized by isolated Cu(H2O)6 octahedra and SeO4 tetrahedra, interlinked by hydrogen bonds and [9]-coordinated Cs+ cations. Infrared spectra of the cesium copper compounds are presented and discussed with respect to both the normal modes of the tetrahedral ions and the water molecules. The analysis of the infrared spectra of the double compounds reveals that the distortion of the selenate tetrahedra in Cs2Cu(SeO4)2·4H2O is stronger than those in Cs2Cu(SeO4)2·6H2O in agreement with the structural data. Matrix-infrared spectroscopy was applied to confirm this claim - Δν3 for SO4 2 - ions matrix-isolated in Cs2Cu(SeO4)2·6H2O has a value of 35 cm-1 and that of the same ions included in Cs2Cu(SeO4)2·4H2O - 84 cm-1. This spectroscopic finding is due to the formation of strong covalent bands Cu-OSO3 on one hand, and on the other to the stronger deformation of the host SeO4 2 - tetrahedra in Cs2Cu(SeO4)2·4H2O as compared to those in Cs2Cu(SeO4)2·6H2O. The strength of the hydrogen bonds as deduced from the

On synthesis of LiCe(SO4)2xH2O double salt in hydrothermal conditions

International Nuclear Information System (INIS)

Bondar', S.A.; Belokoskov, V.I.; Popova, R.A.; Nikitina, S.D.; Trofimov, G.V.; Korobejnikov, L.S.

1986-01-01

Conditions for LiCe(SO 4 ) 2 xH 2 O double sulfate crystallization are determined by investigation of Li 2 SO 4 -Ce 4 (SO 4 ) 3 -H 2 SO 4 -H 2 O system using the method of isothermal solubility at 150 and 200 deg C in the 35-85 mass % concentration range of sulfuric acid and ratios at mixture charge of Li 2 SO 4 :Ce(SO 4 ) 3 equal to 2:1 and 5:1 (g/mole). Derivatograms, infrared spectra and crystal optical characteristics of double lithium and cerium (3) sulphate are presented

Surface studies of UFe2 and evaluation of its catalytic properties with a 2H2:CO mixture

International Nuclear Information System (INIS)

Schultz, J.; Naegele, J.; Spirlet, J.C.; Colmenares, C.

1987-01-01

The reactivity of UFe 2 with O 2 , CO and CO 2 were studied using x-ray photoelectron spectroscopy (XPS). Adsorption of O 2 on clean UFe 2 surfaces (Fe/U ≅ 2.0), produced by argon-ion sputtering, leads to the formation of UO 2 and depletion of Fe from the surface layer probed by XPS (Fe/U ≅ 0.8). The oxidation state of Fe in this layer, as determined by XPS (Fe 2p/sub 3/2/ = 710.4 eV), is between Fe +2 and Fe +3 of pure Fe oxides. Exposure of sputtered-clean UFe 2 to CO and CO 2 results in a slight broadening of the U 4f peaks, indicating U oxidation, and some Fe depletion in the analyzed layer (Fe/U ≅ 1.7). The O ls (530.2 and 530.4 eV for CO and CO 2 , respectively) and C ls (282.7 and 282.6 eV for CO and CO 2 , respectively) indicate that dissociative chemisorption to O and C atoms occurs. UFe 2 ground into a fine powder was tested as a catalyst in a differential high-pressure flow reactor with a 2H 2 :CO gas mixture. A significant amount of methanol and hydrocarbons are produced at 577K; while hydrocarbons are the main products (>99%) at 739K. XPS analysis of the used catalyst indicates that U is present as UO/sub 2+x/ and Fe as Fe 2 O 3

Advanced oxidation of a reactive dyebath effluent: comparison of O3, H2O2/UV-C and TiO2/UV-A processes.

Science.gov (United States)

Alaton, Idil Arslan; Balcioglu, Isil Akmehmet; Bahnemann, Detlef W

2002-03-01

In the present study the treatment efficiency of different AOPs (O3/OH- H2O2/UV-C and TiO2/UV-A) were compared for the oxidation of simulated reactive dyebath effluent containing a mixture of monochlorotriazine type reactive dyes and various dye auxiliary chemicals at typical concentrations encountered in exhausted reactive dyebath liquors. A525 (color), UV280 (aromaticity) and TOC removal rates were assessed to screen the most appropriate oxidative process in terms of reactive dyebath effluent treatment. Special emphasis was laid on the effect of reaction pH and applied oxidant (O3, H2O2) dose on the observed reaction kinetics. It was established that the investigated AOPs were negatively affected by the Na2CO3 content (= 867 mg/L) which is always present at high concentrations in dychouse effluents since it is applied as a pH buffer and dye fixation agent during the reactive dyeing process. The ozonation reaction exhibited almost instantaneous decolorization kinetics and a reasonable TOC reduction rate. It appeared to be stable under the investigated advanced oxidation conditions and outranked the other studied AOPs based on the above mentioned criteria. Besides, the electrical energy requirements based on the EE/O parameter (the electrical energy required per order of pollutant removal in 1 m3 wastewater) was calculated for the homogenous AOPs in terms of decolorization kinetics. In view of the electrical energy efficiency, ozonation and H2O2/UV-C oxidation at the selected treatment conditions appear to be promising candidates for full-scale dyehouse effluent decolorization.

Hydrogen constituents of the mesosphere inferred from positive ions - H2O, CH4, H2CO, H2O2, and HCN

Science.gov (United States)

Kopp, E.

1990-01-01

The concentrations in the mesosphere of H2O, CH4, H2CO, H2O2, and HCN were inferred from data on positive ion compositions, obtained from one mid-latitude and four high-latitude rocket flights. The inferred concentrations were found to agree only partially with the ground-based microwave measurements and/or model prediction by Garcia and Solomon (1985). The CH4 concentration was found to vary between 70 and 4 ppb in daytime and 900 and 100 ppbv at night, respectively. Unexpectedly high H2CO concentrations were obtained, with H2CO/H2O ratios between 0.0006 and 0.1, and a mean HCN volume mixing ratio of 6 x 10 to the -10th was inferred.

CO2/H2O adsorption equilibrium and rates on metal-organic frameworks: HKUST-1 and Ni/DOBDC.

Science.gov (United States)

Liu, Jian; Wang, Yu; Benin, Annabelle I; Jakubczak, Paulina; Willis, Richard R; LeVan, M Douglas

2010-09-07

Metal-organic frameworks (MOFs) have recently attracted intense research interest because of their permanent porous structures, huge surface areas, and potential applications as novel adsorbents and catalysts. In order to provide a basis for consideration of MOFs for removal of carbon dioxide from gases containing water vapor, such as flue gas, we have studied adsorption equilibrium of CO(2), H(2)O vapor, and their mixtures and also rates of CO(2) adsorption in two MOFs: HKUST-1 (CuBTC) and Ni/DOBDC (CPO-27-Ni or Ni/MOF-74). The MOFs were synthesized via solvothermal methods, and the as-synthesized products were solvent exchanged and regenerated before experiments. Pure component adsorption equilibria and CO(2)/H(2)O binary adsorption equilibria were studied using a volumetric system. The effects of H(2)O adsorption on CO(2) adsorption for both MOF samples were determined, and the results for 5A and NaX zeolites were included for comparison. The hydrothermal stabilities for the two MOFs over the course of repetitive measurements of H(2)O and CO(2)/H(2)O mixture equilibria were also studied. CO(2) adsorption rates from helium for the MOF samples were investigated by using a unique concentration-swing frequency response (CSFR) system. Mass transfer into the MOFs is rapid with the controlling resistance found to be macropore diffusion, and rate parameters were established for the mechanism.

Effect of CO_2 dilution on combustion and emissions characteristics of the hydrogen-enriched gasoline engine

International Nuclear Information System (INIS)

Wang, Shuofeng; Ji, Changwei; Zhang, Bo; Cong, Xiaoyu; Liu, Xiaolong

2016-01-01

CO_2 (Carbon dioxide) dilution is a feasible way for controlling NOx (Nitrogen oxides) emissions and loads of the internal combustion engines. This paper investigated the effect of CO_2 dilution on the combustion and emissions characteristics of a hydrogen-enriched gasoline engine. The experiment was conducted on a 1.6 L spark-ignition engine with electronically controlled hydrogen and gasoline injection systems. At two hydrogen volume fractions of 0 and 3%, the CO_2 volume fraction in the intake was gradually increased from 0 to 4%. The fuel-air mixtures were kept at the stoichiometric. The experimental results demonstrated that brake mean effective pressure of the gasoline engine was quickly reduced after adopting CO_2 dilution. Comparatively, Bmep (Brake mean effective pressure) of the 3% hydrogen-enriched engine was gently decreased with the increase of CO_2 dilution level. Thermal efficiency of the 3% hydrogen-enriched gasoline engine was raised under properly increased CO_2 dilution levels. However, thermal efficiency of the pure gasoline engine was generally dropped after the CO_2 dilution. The addition of hydrogen could shorten flame development and propagation durations under CO_2 diluent conditions for the gasoline engine. Increasing CO_2 fraction in the intake caused the dropped NOx and raised HC (Hydrocarbon) emissions. Increasing hydrogen fraction in the intake could effectively reduce HC emissions under CO_2 diluent conditions. - Highlights: • CO_2 dilution reduces cooling loss and NOx of H_2-enriched gasoline engines. • H_2-blended gasoline engine gains better efficiency after CO_2 dilution. • CoVimep of H_2-blended gasoline engine is kept at low level after CO_2 addition. • CO_2 dilution has small effect on reducing Bmep of H_2-blended gasoline engine.

VUV photoionization cross sections of HO2, H2O2, and H2CO.

Science.gov (United States)

Dodson, Leah G; Shen, Linhan; Savee, John D; Eddingsaas, Nathan C; Welz, Oliver; Taatjes, Craig A; Osborn, David L; Sander, Stanley P; Okumura, Mitchio

2015-02-26

The absolute vacuum ultraviolet (VUV) photoionization spectra of the hydroperoxyl radical (HO2), hydrogen peroxide (H2O2), and formaldehyde (H2CO) have been measured from their first ionization thresholds to 12.008 eV. HO2, H2O2, and H2CO were generated from the oxidation of methanol initiated by pulsed-laser-photolysis of Cl2 in a low-pressure slow flow reactor. Reactants, intermediates, and products were detected by time-resolved multiplexed synchrotron photoionization mass spectrometry. Absolute concentrations were obtained from the time-dependent photoion signals by modeling the kinetics of the methanol oxidation chemistry. Photoionization cross sections were determined at several photon energies relative to the cross section of methanol, which was in turn determined relative to that of propene. These measurements were used to place relative photoionization spectra of HO2, H2O2, and H2CO on an absolute scale, resulting in absolute photoionization spectra.

Exploring the possibility to store the mixed oxygen-hydrogen cluster in clathrate hydrate in molar ratio 1:2 (O2+2H2).

Science.gov (United States)

Qin, Yan; Du, Qi-Shi; Xie, Neng-Zhong; Li, Jian-Xiu; Huang, Ri-Bo

2017-05-01

An interesting possibility is explored: storing the mixture of oxygen and hydrogen in clathrate hydrate in molar ratio 1:2. The interaction energies between oxygen, hydrogen, and clathrate hydrate are calculated using high level quantum chemical methods. The useful conclusion points from this study are summarized as follows. (1) The interaction energies of oxygen-hydrogen mixed cluster are larger than the energies of pure hydrogen molecular cluster. (2) The affinity of oxygen molecules with water molecules is larger than that of the hydrogen molecules with water molecules. (3) The dimension of O 2 -2H 2 interaction structure is smaller than the dimension of CO 2 -2H 2 interaction structure. (4) The escaping energy of oxygen molecules from the hydrate cell is larger than that of the hydrogen molecules. (5) The high affinity of the oxygen molecules with both the water molecules and the hydrogen molecules may promote the stability of oxygen-hydrogen mixture in the clathrate hydrate. Therefore it is possible to store the mixed (O 2 +2H 2 ) cluster in clathrate hydrate. Copyright © 2017 Elsevier Inc. All rights reserved.

Study on performance of colloidal mixtures consisted of stearic acid and Na2HPO4.12H2O for use as phase change materials of thermal energy storage

International Nuclear Information System (INIS)

Tang Zhiwei; Liu Aijie; Chen Zhifeng

2010-01-01

The thermal energy storage performance and phase change stability of mix phase change materials consisted of stearic acid and Na 2 PO 4 .12H 2 O are studied by means of Fourier transformation infrared spectrum analyses (FTIR) and Differential Scanning Calorimetry (DSC). The specific heat capacity of mix materials is also determined experimentally. The results show that all absorption peaks of functional groups and chemical bonds of stearic acid still exist, which suggests that these crystal materials composed of stearic acid and Na 2 PO 4 .12H 2 O have good phase change stability and chemical compatibility. Thus, disadvantages caused by the subcooling of Na 2 PO 4 .H 2 O and the low specific heat capacity of stearic acid can be solved, it is speculated that complement each other on the basis of organic/inorganic characteristics in itself is carried out for these two component materials of the mixture.

Experimental and modeling study on effects of N2 and CO2 on ignition characteristics of methane/air mixture

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Wen Zeng

2015-03-01

Full Text Available The ignition delay times of methane/air mixture diluted by N2 and CO2 were experimentally measured in a chemical shock tube. The experiments were performed over the temperature range of 1300–2100 K, pressure range of 0.1–1.0 MPa, equivalence ratio range of 0.5–2.0 and for the dilution coefficients of 0%, 20% and 50%. The results suggest that a linear relationship exists between the reciprocal of temperature and the logarithm of the ignition delay times. Meanwhile, with ignition temperature and pressure increasing, the measured ignition delay times of methane/air mixture are decreasing. Furthermore, an increase in the dilution coefficient of N2 or CO2 results in increasing ignition delays and the inhibition effect of CO2 on methane/air mixture ignition is stronger than that of N2. Simulated ignition delays of methane/air mixture using three kinetic models were compared to the experimental data. Results show that GRI_3.0 mechanism gives the best prediction on ignition delays of methane/air mixture and it was selected to identify the effects of N2 and CO2 on ignition delays and the key elementary reactions in the ignition chemistry of methane/air mixture. Comparisons of the calculated ignition delays with the experimental data of methane/air mixture diluted by N2 and CO2 show excellent agreement, and sensitivity coefficients of chain branching reactions which promote mixture ignition decrease with increasing dilution coefficient of N2 or CO2.

Analytical resolution of the mixture TBP-HDBP-H2MBP-H3PO4

International Nuclear Information System (INIS)

Pires, M.A.F.

1983-01-01

Several schemes for the separation of dibutylphosphoric acid (HDBP), main degradation product of tributylphosphate (TBP), in TBP/diluent, TBP/diluent-uranyl nitrate and TBP/diluent-thorium nitrate mixture were studied. For the resolution of HDBP-TBP/diluent-heavy metal nitrates (U-VI,Th-IV) systems, techniques such as: in exchange chromatography, ion chromatography using common ion exchangers and chromatographic separation with alumina column were investigated. For the identification, determination and analytical resolution following up the several systems studied, techniques such as refraction index measurement, electrical conductivity measurement, molecular absorption spectrophotometry, gas chromatography and ion chromatography, were applied. The separation of HDBP component was achieved using an alumina column where it was adsorbed from the TBP/diluent-uranyl nitrate and selectively eluted. Several modifications of this procedure for samples from the Uranium Purification Pilot Plant at Instituto de Pesquisas Energeticas e Nucleares (Sao Paulo, Brazil) were made. Special emphasis was given to the determination of HDBP using the ion chromatography technique. HDBP along with any monobutylphosphate acid (H 2 MBP) and phosphoric acid (H 3 PO 4 ) were stripped from the organic phase into dilute sodium hydroxide. HDBP is separated from H 2 MBP and H 3 PO 4 by ion chromatography and determined by its peak height. The determination of degradation products from TBP in TBP/diluent-uranyl nitrate and TBP/diluent-thorium nitrate systems was then performed. The detection limit for dibutylphosphate is 1.0μg HDBP/ml of analyte solution. (Author) [pt

Hydrothermal synthesis and crystal structures of new uranyl oxalate hydroxides: α- and β-[(UO2)2(C2O4)(OH)2(H2O)2] and [(UO2)2(C2O4)(OH)2(H2O)2].H2O

International Nuclear Information System (INIS)

Duvieubourg, Laurence; Nowogrocki, Guy; Abraham, Francis; Grandjean, Stephane

2005-01-01

Two modifications of the new uranyl oxalate hydroxide dihydrate [UO 2 ) 2 (C 2 O 4 )(OH) 2 (H 2 O) 2 ] (1 and 2) and one form of the new uranyl oxalate hydroxide trihydrate [(UO 2 ) 2 (C 2 O 4 )(OH) 2 (H 2 O) 2 ].H 2 O (3) were synthesized by hydrothermal methods and their structures determined from single-crystal X-ray diffraction data. The crystal structures were refined by full-matrix least-squares methods to agreement indices R(wR)=0.0372(0.0842) and 0.0267(0.0671) calculated for 1096 and 1167 unique observed reflections (I>2σ(I)), for α (1) and β (2) forms, respectively and to R(wR)=0.0301(0.0737) calculated for 2471 unique observed reflections (I>2σ(I)), for 3. The α-form of the dihydrate is triclinic, space group P1-bar , Z=1, a=6.097(2), b=5.548(2), c=7.806(3)A, α=89.353(5), β=94.387(5), γ=97.646(5) o , V=260.88(15)A 3 , β-form is monoclinic, space group C2/c, Z=4, a=12.180(3), b=8.223(2), c=10.777(3)A, β=95.817(4), V=1073.8(5)A 3 . The trihydrate is monoclinic, space group P2 1 /c, Z=4, a=5.5095(12), b=15.195(3), c=13.398(3)A, β=93.927(3), V=1119.0(4)A 3 . In the three structures, the coordination of uranium atom is a pentagonal bipyramid composed of dioxo UO 2 2+ cation perpendicular to five equatorial oxygen atoms belonging to one bidentate oxalate ion, one water molecule and two hydroxyl ions in trans configuration in 2 and in cis configuration in 1 and 3. The UO 7 polyhedra are linked through hydroxyl oxygen atoms to form different structural building units, dimers [U 2 O 10 ] obtained by edge-sharing in 1, chains [UO 6 ] ∼ and tetramers [U 4 O 26 ] built by corner-sharing in 2 and 3, respectively. These units are further connected by oxalate entities that act as bis-bidentate to form one-dimensional chains in 1 and bi-dimensional network in 2 and 3. These chains or layers are connected in frameworks by hydrogen-bond arrays

Isotopic exchange processes in cold plasmas of H2/D2 mixtures.

Science.gov (United States)

Jiménez-Redondo, Miguel; Carrasco, Esther; Herrero, Víctor J; Tanarro, Isabel

2011-05-28

Isotope exchange in low pressure cold plasmas of H(2)/D(2) mixtures has been investigated by means of mass spectrometric measurements of neutrals and ions, and kinetic model calculations. The measurements, which include also electron temperatures and densities, were performed in a stainless steel hollow cathode reactor for three discharge pressures: 1, 2 and 8 Pa, and for mixture compositions ranging from 100% H(2) to 100% D(2). The data are analyzed in the light of the model calculations, which are in good global agreement with the experiments. Isotope selective effects are found both in the surface recombination and in the gas-phase ionic chemistry. The dissociation of the fuel gas molecules is followed by wall recycling, which regenerates H(2) and D(2) and produces HD. Atomic recombination at the wall is found to proceed through an Eley-Rideal mechanism, with a preference for reaction of the adsorbed atoms with gas phase D atoms. The best fit probabilities for Eley-Rideal abstraction with H and D are: γ(ER H) = 1.5 × 10(-3), γ(ER D) = 2.0 × 10(-3). Concerning ions, at 1 Pa the diatomic species H(2)(+), D(2)(+) and HD(+), formed directly by electron impact, prevail in the distributions, and at 8 Pa, the triatomic ions H(3)(+), H(2)D(+), HD(2)(+) and D(3)(+), produced primarily in reactions of diatomic ions with molecules, dominate the plasma composition. In this higher pressure regime, the formation of the mixed ions H(2)D(+) and HD(2)(+) is favoured in comparison with that of H(3)(+) and D(3)(+), as expected on statistical grounds. The model results predict a very small preference, undetectable within the precision of the measurements, for the generation of triatomic ions with a higher degree of deuteration, which is probably a residual influence at room temperature of the marked zero point energy effects (ZPE), relevant for deuterium fractionation in interstellar space. In contrast, ZPE effects are found to be decisive for the observed distribution of

Zoledronate complexes. III. Two zoledronate complexes with alkaline earth metals: [Mg(C(5)H(9)N(2)O(7)P(2))(2)(H(2)O)(2)] and [Ca(C(5)H(8)N(2)O(7)P(2))(H(2)O)](n).

Science.gov (United States)

Freire, Eleonora; Vega, Daniel R; Baggio, Ricardo

2010-06-01

Diaquabis[dihydrogen 1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato-kappa(2)O,O']magnesium(II), [Mg(C(5)H(9)N(2)O(7)P(2))(2)(H(2)O)(2)], consists of isolated dimeric units built up around an inversion centre and tightly interconnected by hydrogen bonding. The Mg(II) cation resides at the symmetry centre, surrounded in a rather regular octahedral geometry by two chelating zwitterionic zoledronate(1-) [or dihydrogen 1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonate] anions and two water molecules, in a pattern already found in a few reported isologues where the anion is bound to transition metals (Co, Zn and Ni). catena-Poly[[aquacalcium(II)]-mu(3)-[hydrogen 1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato]-kappa(5)O:O,O':O',O''], [Ca(C(5)H(8)N(2)O(7)P(2))(H(2)O)](n), consists instead of a Ca(II) cation in a general position, a zwitterionic zoledronate(2-) anion and a coordinated water molecule. The geometry around the Ca(II) atom, provided by six bisphosphonate O atoms and one water ligand, is that of a pentagonal bipyramid with the Ca(II) atom displaced by 0.19 A out of the equatorial plane. These Ca(II) coordination polyhedra are ;threaded' by the 2(1) axis so that successive polyhedra share edges of their pentagonal basal planes. This results in a strongly coupled rhomboidal Ca(2)-O(2) chain which runs along [010]. These chains are in turn linked by an apical O atom from a -PO(3) group in a neighbouring chain. This O-atom, shared between chains, generates strong covalently bonded planar arrays parallel to (100). Finally, these sheets are linked by hydrogen bonds into a three-dimensional structure. Owing to the extreme affinity of zoledronic acid for bone tissue, in general, and with calcium as one of the major constituents of bone, it is expected that this structure will be useful in modelling some of the biologically interesting processes in which the drug takes part.

Does residual H2O2 result in inhibitory effect on enhanced anaerobic digestion of sludge pretreated by microwave-H2O2 pretreatment process?

Science.gov (United States)

Liu, Jibao; Jia, Ruilai; Wang, Yawei; Wei, Yuansong; Zhang, Junya; Wang, Rui; Cai, Xing

2017-04-01

This study investigated the effects of residual H 2 O 2 on hydrolysis-acidification and methanogenesis stages of anaerobic digestion after microwave-H 2 O 2 (MW-H 2 O 2 ) pretreatment of waste activated sludge (WAS). Results showed that high sludge solubilization at 35-45 % was achieved after pretreatment, while large amounts of residual H 2 O 2 remained and refractory compounds were thus generated with high dosage of H 2 O 2 (0.6 g H 2 O 2 /g total solids (TS), 1.0 g H 2 O 2 /g TS) pretreatment. The residual H 2 O 2 not only inhibited hydrolysis-acidification stage mildly, such as hydrolase activity, but also had acute toxic effect on methanogens, resulting in long lag phase, low methane yield rate, and no increase of cumulative methane production during the 30-day BMP tests. When the low dosage of H 2 O 2 at 0.2 g H 2 O 2 /g TS was used in MW-H 2 O 2 pretreatment, sludge anaerobic digestion was significantly enhanced. The cumulative methane production increased by 29.02 %, but still with a lag phase of 1.0 day. With removing the residual H 2 O 2 by catalase, the initial lag phase of hydrolysis-acidification stage decreased from 1.0 to 0.5 day.

Isotopic analysis of H2, HD, D2 mixtures and analysis of ortho-para-hydrogen mixtures by gas chromatography

International Nuclear Information System (INIS)

Botter, F.; Perriere, G. de la; Tistchenko, S.

1961-01-01

This communication describes the present situation concerning the possibilities of vapor phase chromatography for the separation and analysis of mixtures of H 2 , HD and D 2 and of ortho- and para-hydrogen mixtures. Separation factors for physical adsorption of the various varieties of hydrogen have been deduced from chromatograms and have also been measured directly with a static method - the agreements is good. (author) [fr

Complexing in (NH4)2SeO4-UO2SeO4 H2O system

International Nuclear Information System (INIS)

Serezhkina, L.B.

1994-01-01

Isotherm of solubility in the (NH 4 ) 2 SeO 4 -UO 2 SeO 4 -H 2 O system has been constructed at 25 deg C. (NH 4 ) 2 (UO 2 ) 2 (SeO 4 ) 3 x6H 2 O formation is established for the first time and certain its physicochemical properties are determined. Regularities of complexing in the R 2 Se) 4 -UO 2 SeO 4 -H 2 O systems, where R-univalent cation are under discussion. 6 refs.; 3 tabs

Density study of the ternary mixture Mg(NO3)2-HNO3-H2O

International Nuclear Information System (INIS)

Jubin, R.T.; Marley, J.L.; Counce, R.M.

1985-06-01

Densities for the Mg(NO 3 ) 2 -HNO 3 -H 2 O system have been experimentally measured; more than 140 measurements were made covering ranges of 30 to 70 wt % Mg(NO 3 ) 2 , 0 to 40 wt % HNO 3 , and temperatures of 50 to 145 0 C. A mathematical model for the observed density relationships has been developed. 6 refs., 3 figs., 8 tabs

Application of H2O2 and H2O2/Fe0 in removal of Acid Red 18 dye from aqueous solutions

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Nazari Shahram

2013-08-01

Full Text Available Background & Aims of the Study: Organic dyes with a complex structure are often toxic, carcinogenic, mutagenic, non-biodegradation and stable in the environment and if released to the environment without treatment can endanger the environment and human health. The aim of this study was to evaluate the performance of H2O2 and H2O2/Fe0 Iron in removal of dye Acid Red 18 from aqueous solutions. Materials & Methods: This study was conducted at the laboratory scale. In this study, the removal efficiency of Acid Red 18 from a synthetic solution by H2O2 and H2O2/Fe0 was investigated. As well as Effect of solution pH, dye concentration, Concentration of Nanoscale Zero-Valent Iron, H2O2 and contact time in decolorization efficiency was investigated. Results: Results show that in pH=3, Contact time of 80 minutes, dye concentration of 50 mg/l and Concentration of Nanoscale Zero-Valent Iron of 2 g/l and H2O2 concentration equal to 200 mmol/l, the removal efficiency was about 98%. Conclusions: According to the results of experiments, H2O2/Fe0 has high efficiency in removal of Acid Red 18 from aqueous solution.

Competition between weak OH···π and CH··O hydrogen bonds: THz spectroscopy of the C2H2—H2O and C2H4—H2O complexes

DEFF Research Database (Denmark)

Andersen, Jonas; Heimdal, Jimmy; Nelander, B.

2017-01-01

an intermolecular CH⋯O hydrogen-bonded configuration of C2v symmetry with the H2O subunit acting as the hydrogen bond acceptor. The observation and assignment of two large-amplitude donor OH librational modes of the C2H4—H2O complex at 255.0 and 187.5 cm−1, respectively, confirms an intermolecular OH⋯π hydrogen...

Structure of LaH(PO3H)2.3H2O

International Nuclear Information System (INIS)

Loukili, M.; Durand, J.; Larbot, A.; Cot, L.; Rafiq, M.

1991-01-01

Lanthanum hydrogen bis(hydrogenphosphite) trihydrate, LaH(Po 3 H) 2 .3H 2 O, M r =353.8, monoclinic, P2 1 /c, a=9.687 (3), b=7.138 (2), c=13.518 A, β=104.48 (3) deg, V=905.0 (5) A 3 , Z=4, D m =2.56 (2), D x =2.598 Mg m -3 , λ(MoKα)=0.71073 A, μ(MoKα)=5.103 mm -1 , F(000)=672, T=300 K, R=0.032 for 1018 independent observed reflections. The structure contains two phosphite anions connected by a hydrogen bond. The La 3+ cation is eight coordinated by seven O atoms from phosphite anions and one O atom of a water molecule. (orig.)

The radiation stability of the RNA base uracil in H2O-ice and CO2-ice: in-situ laboratory measurements with applications to comets, Europa, and Mars

Science.gov (United States)

Gerakines, Perry A.; Frail, Sarah; Hudson, Reggie L.

2017-10-01

Planetary bodies of astrobiological interest, such as Mars, are often exposed to harsh incident radiation, which will influence the times that molecules can survive on them. Some or all of these bodies may well contain biologically-important organic molecules, some may even have supported life at some point in their history, and some may support life today. Future searches for organic molecules likely will include sampling the martian subsurface or a cometary surface sample return mission, where organics may be frozen in ices dominated by either H2O or CO2, which provide some protection from ionizing radiation.Recently, our research group has published studies of the radiation stability of amino acids, with a focus on glycine - in both undiluted form and in mixtures with H2O and CO2. Here, we present a similar study that focuses on the radiation-chemical kinetics of the RNA base uracil. We compare results for uracil decay for dilution in both H2O and CO2 ices. Moreover, we compare these new results with those for glycine. For each sample, we measured uracil’s destruction rate constant and half-life dose due to irradiation by 0.9-MeV protons. All measurements were made in situ at the temperature of irradiation using IR spectroscopy. Trends with dilution (up to ~300:1) and temperature (up to ~150 K) are considered, and results are discussed in the context of icy planetary surfaces.Acknowledgment: Our work is supported in part by the NASA Emerging Worlds Program and by the NASA Astrobiology Institute through the Goddard Center for Astrobiology.

Numerical study of combustion initiation in a supersonic flow of H2-air mixture by resonance laser radiation

International Nuclear Information System (INIS)

Bezgin, L V; Kopchenov, V I; Kuleshov, P S; Titova, N S; Starik, A M

2012-01-01

A comparative analysis of the efficiency of approaches based on the exposure of reacting gas to resonance laser radiation to enhance combustion in a supersonic flow of H 2 -air mixture is conducted. The kinetic processes responsible for the intensification of chain reactions in premixed and non-premixed H 2 -air flows upon photodissociation of O 2 molecules by 193.3 nm laser radiation, excitation of these molecules to the singlet sigma state by laser photons with 762.346 nm wavelength and heating the mixture by laser radiation are analysed in a detailed manner. It is shown that both photochemical methods, photodissociation and excitation of O 2 molecules, are much more effective in shortening the ignition delay length than merely heating the mixture. For the premixed flow, the photodissociation of O 2 molecules ensures a slightly higher reduction in the ignition delay than the laser-induced excitation of molecular oxygen to the singlet sigma state. However, in the non-premixed flow the situation is inverted. The analysis shows that both photochemical methods make it possible to raise the efficiency of conversion of reactant chemical energy to thermal energy released during combustion compared with the method of heating the mixtures. (paper)

Effects of variation in background mixing ratios of N2, O2, and Ar on the measurement of δ18O–H2O and δ2H–H2O values by cavity ring-down spectroscopy

Directory of Open Access Journals (Sweden)

J. E. Johnson

2017-08-01

Full Text Available Cavity ring-down spectrometers have generally been designed to operate under conditions in which the background gas has a constant composition. However, there are a number of observational and experimental situations of interest in which the background gas has a variable composition. In this study, we examine the effect of background gas composition on a cavity ring-down spectrometer that measures δ18O–H2O and δ2H–H2O values based on the amplitude of water isotopologue absorption features around 7184 cm−1 (L2120-i, Picarro, Inc.. For background mixtures balanced with N2, the apparent δ18O values deviate from true values by −0.50 ± 0.001 ‰ O2 %−1 and −0.57 ± 0.001 ‰ Ar %−1, and apparent δ2H values deviate from true values by 0.26 ± 0.004 ‰ O2 %−1 and 0.42 ± 0.004 ‰ Ar  %−1. The artifacts are the result of broadening, narrowing, and shifting of both the target absorption lines and strong neighboring lines. While the background-induced isotopic artifacts can largely be corrected with simple empirical or semi-mechanistic models, neither type of model is capable of completely correcting the isotopic artifacts to within the inherent instrument precision. The development of strategies for dynamically detecting and accommodating background variation in N2, O2, and/or Ar would facilitate the application of cavity ring-down spectrometers to a new class of observations and experiments.

Hydrogenation/Deoxygenation (H/D Reaction of Furfural-Acetone Condensation Product using Ni/Al2O3-ZrO2 Catalyst

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Adam Mahfud

2016-08-01

Full Text Available The catalytic hydrogenation/deoxygenation (H/D reaction was carried out using Ni/Al2O3-ZrO2 catalyst. The 10% (wt/wt of Ni were impregnated on Al2O3-ZrO2 (10NiAZ by wet impregnation method followed by calcination and reduction. X-Ray diffraction analysis showed that Nideposited on the surface, with specific surface areas (SBET was 48.616 m2/g. Catalyst performance were evaluated for H/D reaction over furfural-acetone condensation products, mixture of 2-(4-furyl-3-buten-2-on and 1,5-bis-(furan-2-yl-pentan-3-one. The reaction was carried out in a batch, performed at 150°C for 8 hours. The H/D reaction gave alkane derivatives C8 and C10 by hydrogenation process followed by ring opening of furan in 15.2% yield. While, oxygenated product C10-C13 were also detected in 17.2% yield. The increasing of pore volume of 10NiAZ might enhance catalyst activity over H/D reaction. The alkene C=C bond was easy to hydrogenated under this condition by the lower bond energy gap.

The vibration-rotation-tunneling levels of N2-H2O and N2-D2O

Science.gov (United States)

Wang, Xiao-Gang; Carrington, Tucker

2015-07-01

In this paper, we report vibration-rotation-tunneling levels of the van der Waals clusters N2-H2O and N2-D2O computed from an ab initio potential energy surface. The only dynamical approximation is that the monomers are rigid. We use a symmetry adapted Lanczos algorithm and an uncoupled product basis set. The pattern of the cluster's levels is complicated by splittings caused by H-H exchange tunneling (larger splitting) and N-N exchange tunneling (smaller splitting). An interesting result that emerges from our calculation is that whereas in N2-H2O, the symmetric H-H tunnelling state is below the anti-symmetric H-H tunnelling state for both K = 0 and K = 1, the order is reversed in N2-D2O for K = 1. The only experimental splitting measurements are the D-D exchange tunneling splittings reported by Zhu et al. [J. Chem. Phys. 139, 214309 (2013)] for N2-D2O in the v2 = 1 region of D2O. Due to the inverted order of the split levels, they measure the sum of the K = 0 and K = 1 tunneling splittings, which is in excellent agreement with our calculated result. Other splittings we predict, in particular those of N2-H2O, may guide future experiments.

Combined use of O3/H2O2 and O3/Mn2+ in flotation of dairy wastewater

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Marta Cristina Silva Carvalho

2018-05-01

Full Text Available This work investigated the degradation of organic matter present in synthetic dairy wastewater by the combination of ozonation (ozone (O3/hydrogen peroxide (H2O2 and catalytic ozonation (ozone (O3/manganese (Mn2+ associated with dispersed air flotation process. The effect of independent factors such as O3 concentration, pH and H2O2 and Mn2+ concentration was evaluated. For the flotation/O3/H2O2 treatment, the significant variables (p ≤ 0.05 were: O3 concentration (linear and quadratic effect, H2O2 concentration linear and quadratic effect, pH values (linear and quadratic effect and interaction O3 concentration versus pH. For catalytic ozonation, it was observed that the significant variable was the linear effect of O3 concentration. According to the desirability function, it was concluded that the optimal condition for the treatment of flotation/O3/H2O2 can be obtained in acidic solution using O3 concentrations greater than 42.9 mg L-1 combined with higher concentrations of H2O2 to 1071.5 mg L-1. On other hand, at pH values higher than 9.0, the addition of O3 may be neglected when using higher concentrations than 1071.5 mg L-1 of H2O2. For flotation/ozonation catalyzed by Mn2+, it was observed that metal addition did not affect treatment, resulting in an optimum condition: 53.8 mg L-1 of O3 and pH 3.6.

Fitting law for the density shift of Q(J) transitinos of H2 in H2-X (X: H2, He, N2) mixtures

International Nuclear Information System (INIS)

Michaut, X.; Berger, J.-P.; Sinclair, P.M.; Berger, H.

1998-01-01

A variety of fitting laws have been developed for the purpose of modelling broadening effects in collisional processes, but only a few have been proposed for modelling collision-induced lineshifts in molecules. We analysed accurate stimulated Raman data obtained in several H 2 -X mixtures (X: H 2 , He and N 2 ). For the first time, we show that an empirical law provides a very good representation of collisional lineshift coefficients in the range 300-1200 K and for J quantum number up to 9. (Copyright (c) 1998 Elsevier Science B.V., Amsterdam. All rights reserved.)

2D NiFe/CeO2 Basic-Site-Enhanced Catalyst via in-Situ Topotactic Reduction for Selectively Catalyzing the H2 Generation from N2H4·H2O.

Science.gov (United States)

Wu, Dandan; Wen, Ming; Gu, Chen; Wu, Qingsheng

2017-05-17

An economical catalyst with excellent selectivity and high activity is eagerly desirable for H 2 generation from the decomposition of N 2 H 4 ·H 2 O. Here, a bifunctional two-dimensional NiFe/CeO 2 nanocatalyst with NiFe nanoparticles (∼5 nm) uniformly anchored on CeO 2 nanosheets supports has been successfully synthesized through a dynamic controlling coprecipitation process followed by in-situ topotactic reduction. Even without NaOH as catalyst promoter, as-designed Ni 0.6 Fe 0.4 /CeO 2 nanocatalyst can show high activity for selectively catalyzing H 2 generation (reaction rate (mol N2H4 mol -1 NiFe h -1 ): 5.73 h -1 ). As ceria is easily reducible from CeO 2 to CeO 2-x , the surface of CeO 2 could supply an extremely large amount of Ce 3+ , and the high-density electrons of Ce 3+ can work as Lewis base to facilitate the absorption of N 2 H 4 , which can weaken the N-H bond and promote NiFe active centers to break the N-H bond preferentially, resulting in the high catalytic selectivity (over 99%) and activity for the H 2 generation from N 2 H 4 ·H 2 O.

A Cadmium Anionic 1-D Coordination Polymer {[Cd(H2O6][Cd2(atr2(μ2-btc2(H2O4] 2H2O}n within a 3-D Supramolecular Charge-Assisted Hydrogen-Bonded and π-Stacking Network

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Anas Tahli

2016-03-01

Full Text Available The hydrothermal reaction of 4,4′-bis(1,2,4-triazol-4-yl (btr and benzene-1,3,5-tricarboxylic acid (H3btc with Cd(OAc2·2H2O at 125 °C in situ forms 4-amino-1,2,4-triazole (atr from btr, which crystallizes to a mixed-ligand, poly-anionic chain of [Cd2(atr2(µ2-btc2(H2O4]2–. Together with a hexaaquacadmium(II cation and water molecules the anionic coordination-polymeric forms a 3-D supramolecular network of hexaaquacadmium(II-catena-[bis(4-amino-1,2,4-triazoletetraaquabis(benzene-1,3,5-tricarboxylatodicadmate(II] dihydrate, 1-D-{[Cd(H2O6][Cd2(atr2(µ2-btc2(H2O4] 2H2O}n which is based on hydrogen bonds (in part charge-assisted and π–π interactions.

Preparation of ZrO2 thin films by CVD using H2-CO2 as oxidizer. H2-CO2 wo sanka gas ni mochiita CVD ho ni yoru ZrO2 maku no sakusei

Energy Technology Data Exchange (ETDEWEB)

Aizawa, M; Kobayashi, C [Toto Ltd., Kitakyushu (Japan); Yamane, H; Hirai, T [Tohoku University, Sendai (Japan). Institute for Materials Research

1993-02-01

This report describes an outline on the results of investigation on the formation of ZrO2 films from [beta]-diketone chelate of Zr using H2/CO2 as oxidizing gas by application of the CVD method at a temperature as high as 1000[degree]C. The deposition rate is 4[mu]m/h at 650[degree]C, increases with rise of temperature and reaches 10[mu]m/h at 900-1000[degree]C. No lowering of the rate at high temperature seems to be caused by temperature dependence of water (increase of water concentration above 850[degree]C). The physical form of ZrO2 is black and amorphous at 650[degree]C; grey and tetragonal at 850[degree]C; white, monoclinic and tetragonal at 950-1000[degree]C. All of these films showed a fine-grain, polycrystalline structure at any temperature and became white by heat-treatment at 1100[degree]C for 100h. This treatment gave no change to amorphous films but transformed tetragonal films and the mixture films of tetragonal and monoclinic crystals into white monoclinic Zr films. This may be because oxygen defects were present in black and grey films of low deposition temperature due to insufficient oxydation of raw material by H2O. Instability of tetragonal crystals seems to be attributed to participation of oxygen defects. In conclusion, possibility of high-temperature film formation was confirmed. 17 refs., 4 figs.

The synthesis of the 2H, 3H, and 14C-isotopomers of 2'-deoxy-2',2'-difluorocytidine hydrochloride, an anti-tumor compound

International Nuclear Information System (INIS)

Wheeler, W.J.; Mabry, T.E.; Jones, C.D.

1991-01-01

The 2 H, 3 H, and 14 C-isotopomers of 2'-deoxy-2', 2'-difluorocytidine hydrochloride (gemcitabine hydrochloride) have been synthesized in two radiochemical steps from the reaction of bis-trimethylsilylcytosine-[2- 14 C] and 3,5-O-bis-benzoyl-1-O-methanesulfonyl-2-deoxy-2,2-difluororibose. A mixture of anomers of 3',5'-dibenzoyl-2'-deoxy-2',2'-difluorocytidine or its 14 C-isotopomer were obtained which were readily separated by crystallization from ethyl acetate. Deprotection using methanolic ammonia yielded the target compound. The 2 H and 3 H-isotopomers were prepared by deuterium (or tritium) gas hydrogenolysis of 5-iodo-2'-deoxy-2',2'-difluorocytidine. (author)

Synthesis, crystal structure and magnetic properties of [Cu(mal(abpt(H2O].3/2H2O and [Cu2(sq(abpt 2].2H2O (mal = malonate, sq = squarate, abpt = 4-amino-3,5-di-2-pyridyl-4H-1,2,4 triazole

Directory of Open Access Journals (Sweden)

Eno A. Ededet

2011-04-01

Full Text Available Two new mixed-ligand complexes of formula [Cu(mal(abpt(H2O].3/2H2O (1 and [Cu2(sq(abpt2].2H2O (2 [mal = malonate, abpt = 4-amino-3,5-di-2-pyridyl-4H-1,2,4 triazole and sq = squarate], have been prepared and characterized by X-ray crystal structure determination and magnetic studies. Complex 1 crystallizes in the monoclinic system, space group C2/c, with a = 14.0086(2 Å, b = 10.0980(2 Å, c = 25.630(4 Å; β = 97.5900(10 o, and Z = 8. Complex 2 crystallizes in the triclinic system, space group P-1 with a = 7.5696(15 Å, b = 8.4697(17 Å, c = 11.049(2 Å; β = 93.00(3o, α = 96.98(3, γ = 90.111(3 and Z = 1. Complex 1 consist of a neutral mononuclear [Cu(mal(abpt(H2O] unit and water molecule of crystallization in a distorted square pyramidal coordination sphere, while complex 2 is viewed as being made up of [Cu(sq(abpt2] units with the squarato ligand bridging the two copper(II cations. Variable temperature magnetic behaviour of the complexes reveals the existence of weak antiferromagnetic interaction for complex 1 and weak ferromagnetic intrachain interaction for complex 2.

Monte Carlo analysis of Pu-H2O and UO2-PuO2-H2O critical assemblies with ENDF/B-IV data

International Nuclear Information System (INIS)

Hardy, J. Jr.; Ullo, J.J.

1981-04-01

A set of critical experiments, comprising thirteen homogeneous Pu-H 2 O assemblies and twelve UO 2 -PuO 2 lattices, was analyzed with ENDF/B-IV data and the RCPO1 Monte Carlo program, which modeled the experiments explicitly. Some major data sensitivities were also evaluated. For the Pu-H 2 O assemblies, calculated K/sub eff/ averaged 1.011. The large (2.7%) scatter of K/sub eff/ values for these assemblies was attributed mostly to uncertainties in physical specifications since no clear trends of K/sub eff/ were evident and data sensitivities were insignificant. The UO 2 -PuO 2 lattices showed just one trend of K/sub eff/, which indicated an overprediction of U238 capture consistent with that observed for uranium-H 2 O experiments. There was however a approx. 1% discrepancy in calculated K/sub eff/ between the two sets of UO 2 -PuO 2 lattices studied

Effects of H2O, CO2, and N2 Air Contaminants on Critical Airside Strain Rates for Extinction of Hydrogen-Air Counterflow Diffusion Flames

Science.gov (United States)

Pellett, G. L.; Wilson, L. G.; Northam, G. B.; Guerra, Rosemary

1989-01-01

Coaxial tubular opposed jet burners (OJB) were used to form dish shaped counterflow diffusion flames (CFDF), centered by opposing laminar jets of H2, N2 and both clean and contaminated air (O2/N2 mixtures) in an argon bath at 1 atm. Jet velocities for flame extinction and restoration limits are shown versus wide ranges of contaminant and O2 concentrations in the air jet, and also input H2 concentration. Blowoff, a sudden breaking of CFDF to a stable ring shape, occurs in highly stretched stagnation flows and is generally believed to measure kinetically limited flame reactivity. Restore, a sudden restoration of central flame, is a relatively new phenomenon which exhibits a H2 dependent hysteresis from Blowoff. For 25 percent O2 air mixtures, mole for mole replacement of 25 percent N2 contaminant by steam increased U(air) or flame strength at Blowoff by about 5 percent. This result is consistent with laminar burning velocity results from analogous substitution of steam for N2 in a premixed stoichiometric H2-O2-N2 (or steam) flame, shown by Koroll and Mulpuru to promote a 10 percent increase in experimental and calculated laminar burning velocity, due to enhanced third body efficiency of water in: H + O2 + M yields HO2 + M. When the OJB results were compared with Liu and MacFarlane's experimental laminar burning velocity of premixed stoichiometric H2 + air + steam, a crossover occurred, i.e., steam enhanced OJB flame strength at extinction relative to laminar burning velocity.

The effect of the partial pressure of H2 gas and atomic hydrogen on diamond films deposited using CH3OH/H2O gas

International Nuclear Information System (INIS)

Lee, Kwon-Jai; Koh, Jae-Gui; Shin, Jae-Soo; Kwon, Ki-Hong; Lee, Chang-Hee

2006-01-01

Diamond films were deposited on Si(100) substrates by hot filament chemical vapor deposition (HFCVD) with a CH 3 OH/H 2 O gas mixture while changing the gas ratio. The films were analyzed with scanning electron microscopy (SEM), Raman spectroscopy, and optical emission spectroscopy (OES). The diamond films were grown with CH 3 OH being 52 % by volume of the gas mixture. The effect of atomic hydrogen on the film was different from that of the CH 4 /H 2 gas mixture. Analysis with OES during film growth indicated that among the thermally dissociated hydrogen radicals, only H α contributed to the etching of graphite.

[Mechanism and performance of styrene oxidation by O3/H2O2].

Science.gov (United States)

He, Jue-Cong; Huang, Qian-Ru; Ye, Qi-Hong; Luo, Yu-Wei; Zhang, Zai-Li; Fan, Qing-Juan; Wei, Zai-Shan

2013-10-01

It can produce a large number of free radicals in O3/H2O2, system, ozone and free radical coupling oxidation can improve the styrene removal efficiency. Styrene oxidation by O3/H2O2 was investigated. Ozone dosage, residence time, H2o2 volume fraction, spray density and molar ratio of O3/C8H8 on styrene removal were evaluated. The experimental results showed that styrene removal efficiency achieved 85.7%. The optimal residence time, H2O2, volume fraction, spray density and O3/C8H8 molar ratio were 20. 6 s, 10% , 1.72 m3.(m2.h)-1 and 0.46, respectively. The gas-phase degradation intermediate products were benzaldehyde(C6H5CHO) and benzoic acid (C6H5 COOH) , which were identified by means of gas chromatography-mass spectrometry(GC-MS). The degradation mechanism of styrene is presented.

LiOH - H2O2 - H2O trinary system study for the selection of optimal conditions of lithium peroxide synthesis

International Nuclear Information System (INIS)

Nefedov, R A; Ferapontov, Yu A; Kozlova, N P

2016-01-01

Using solubility method the decay kinetics of peroxide products contained in liquid phase of LiOH - H 2 O 2 - H 2 O trinary system with 2 to 6% by wt hydrogen peroxide content in liquid phase in 21 to 33 °C temperature range has been studied. Conducted studies have allowed to determine temperature and concentration limits of solid phase existence of Li 2 O 2 ·H 2 O content, distinctness of which has been confirmed using chemical and qualitative X- ray phase analysis. Stabilizing effect of solid phase of Li 2 O 2 ·H 2 O content on hydrogen peroxide decay contained in liquid phase of LiOH - H 2 O 2 - H 2 O trinary system under conditions of experiments conducted has been shown. (paper)

LiOH - H2O2 - H2O trinary system study for the selection of optimal conditions of lithium peroxide synthesis

Science.gov (United States)

Nefedov, R. A.; Ferapontov, Yu A.; Kozlova, N. P.

2016-01-01

Using solubility method the decay kinetics of peroxide products contained in liquid phase of LiOH - H2O2 - H2O trinary system with 2 to 6% by wt hydrogen peroxide content in liquid phase in 21 to 33 °C temperature range has been studied. Conducted studies have allowed to determine temperature and concentration limits of solid phase existence of Li2O2·H2O content, distinctness of which has been confirmed using chemical and qualitative X- ray phase analysis. Stabilizing effect of solid phase of Li2O2·H2O content on hydrogen peroxide decay contained in liquid phase of LiOH - H2O2 - H2O trinary system under conditions of experiments conducted has been shown.

Human ECG Changes During Prolonged Hyperbaric Exposures Breathing N2-O2 Mixtures

National Research Council Canada - National Science Library

Wilson, James M; Kligfield, Paul D; Adams, George M; Harvey, Claude; Schaefer, Karl E

1976-01-01

In an effort to determine whether hyperbaric exposures while breathing N2-O2 mixtures have an effect on cardiac depolarization and repolarization, electrocardiograms of 10 divers participating in four...