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Sample records for propene butane 2-methylpropane

  1. Viscosities of binary mixtures of toluene with butan-1-ol and 2-methylpropan-2-ol

    Directory of Open Access Journals (Sweden)

    VASILE DUMITRESCU

    2005-11-01

    Full Text Available The viscosities of binary liquid mixtures of toluene with butan-1-ol and 2-methylpropan-2-ol have been determined at 298.15, 303.15, 308.15, 313.15 and 318.15 K over the whole concentration range. The Hind, Grunberg–Nissan, Wijk, Auslander and McAllister models were used to calculate the viscosity coefficients and these were compared with the experimental data for the mixtures. Excess viscosities were also calculated and fitted to the Redlich–Kister equation. Various thermodynamic properties of viscous flow activation were determined and their variations with composition are discussed.

  2. Speed of sound in saturated aliphatic alcohols (propan-2-ol, butan-2-ol, and 2-methylpropan-1-ol) and alkanediols (ethane-1,2-diol, propane-1,2- and -1,3-diol) at temperature between 253.15 K and 353.15 K and pressures up to 30 MPa

    International Nuclear Information System (INIS)

    Dávila, María J.; Gedanitz, Holger; Span, Roland

    2016-01-01

    Highlights: • Speed of sound measurements were made in aliphatic alcohols and alkanediols. • Speeds of sound were measured in a wide temperature and pressure range. • A pulse-echo method with a double path type sensor operating at 8 MHz was employed. • A double polynomial equation was used to fit the experimental speed of sound data. • The accurate results were compared with available literature sources. - Abstract: Speeds of sound have been measured in three saturated aliphatic alcohols (propan-2-ol, butan-2-ol, and 2-methylpropan-1-ol) and three alkanediols (ethane-1,2-diol, propane-1,2- and -1,3-diol) in the temperature range from (253.15 to 353.15) K and pressures up to 30 MPa by use of a pulse-echo method with a double path type sensor operating at 8 MHz. The expanded overall uncertainties (k = 2) in the speed of sound measurements are estimated to be 0.013% for propan-2-ol, 0.019% for butan-2-ol, 0.01% for 2-methylpropan-1-ol, 0.009% for ethane-1,2-diol, 0.02% for propane-1,2-diol, and 0.07% for propane-1,3-diol. Experimental speeds of sound data were correlated with the temperature and pressure with an empirical double polynomial equation. Our results were also compared with the available literature data and a satisfactory agreement was found.

  3. Silver nanoparticles prepared by using poly(2-acrylamido-2-methylpropane sulphonic acid) as a surfactant

    NARCIS (Netherlands)

    Li, Y.; Li, Z.; Zheng, F.; Laven, J.

    2014-01-01

    Silver nanoparticles were synthesised successfully using poly(2-acrylamido-2-methylpropane sulphonic acid) (PAMPS) as a surfactant. Silver nanoparticles prepared through this approach possess high purity and narrow size distribution. The size distribution result shows that the diameters ranging from

  4. Mathematical modeling and optimization of sonication remediation of soil polluted with 2-methylpropane-2-thiol

    Directory of Open Access Journals (Sweden)

    pejman roohi

    2015-10-01

    Full Text Available Existence of 2-methylpropane-2-thiol as an organosulfur and odorant compound in the soil could causes environmental problem and social dissatisfaction. In this study, remediation of this type of thiol using ultrasound is investigated. Central Composite Design (CCD based on Response Surface Model (RSM was used to obtain effects of the main factor (Power, sonication time and amount of water and their interactions. Analysis of variance and Pareto analysis shows that all main factors are effective (the percentage effects of 43.30%, 30.35% and 9.62% on removal efficiency for power, sonication time and amount of water respectively. Moreover, interaction between water content and power, and sonication time and power are effective interaction (with P-values of 0.025 and 0.007 respectively. Base on experiment results and analysis of variance effects of the daylight is not significant (P-value=0.825. P-value of lack of fit (0.176 suggested model assessed as a good model and adequately fits data. Highest levels of power and sonication time (86 watt and 38 minute respectively and water content in lower level (27 ml in studied interval lead to maximum removal efficiency (82.83%.

  5. Structure, vibrations and quantum chemical investigations of hydrogen bonded complex of bis(1-hydroxy-2-methylpropan-2-aminium)selenate

    Science.gov (United States)

    Thirunarayanan, S.; Arjunan, V.; Marchewka, M. K.; Mohan, S.

    2017-04-01

    The hydrogen bonded molecular complex bis(1-hydroxy-2-methylpropan-2-aminium)selenate (C8H24N2O6Se) has been prepared by the reaction of 2-amino-2-methyl propanol and selenic acid. The X-ray diffraction analysis revealed that the intermolecular proton transfer from selenic acid (SeO4H2) to 2-amino-2-methylpropanol results in the formation of bis(1-hydroxy-2-methylpropan-2-aminium)selenate (HMPAS) salt and the fragments are connected through H-bonding and ion pairing. The N-H⋯O and O-H⋯O interactions between 2-amino-2-methylpropanol and selenic acid determine the supramolecular arrangement in three-dimensional space. The salt crystallises in the space group P121/n1 of monoclinic system. The complete vibrational assignments of HMPAS have been performed by FTIR and FT-Raman spectroscopy. The experimental data are correlated with the structural properties namely the energy, thermodynamic parameters, atomic charges, hybridization concepts and vibrational frequencies determined by quantum chemical studies performed with B3LYP method using 6-311++G*, 6-31+G* and 6-31G** basis sets.

  6. Experimental and theoretical excess molar enthalpies of ternary and binary mixtures containing 2-Methoxy-2-Methylpropane, 1-propanol, heptane

    International Nuclear Information System (INIS)

    Mato, Marta M.; Cebreiro, Susana M.; Paz Andrade, María Inmaculada; Legido, José Luis

    2013-01-01

    Highlights: • Experimental enthalpies for the ternary system MTBE + propanol + heptane were measured. • No experimental ternary values were found in the currently available literature. • Experimental enthalpies for the binary system propanol + heptane were measured. • Excess molar enthalpies are positive over the whole range of composition. • The ternary contribution is also positive, and the representation is asymmetric. -- Abstract: Excess molar enthalpies, at the temperature of 298.15 K and atmospheric pressure, have been measured for the ternary system {x 1 2-Methoxy-2-Methylpropane (MTBE) + x 2 1-propanol + (1 − x 1 − x 2 ) heptane}, over the whole composition range. Also, experimental data of excess molar enthalpy for the involved binary mixture {x 1-propanol + (1 − x) heptane} at the 298.15 K and atmospheric pressure, are reported. We are not aware of any previous experimental measurement of excess enthalpy in the literature for the ternary system presented in this study. Values of the excess molar enthalpies were measured using a Calvet microcalorimeter. The ternary contribution to the excess enthalpy was correlated with the equation due to Morris et al. (1975) [15], and the equation proposed by Myers–Scott (1963) [14] was used to fitted the experimental binary mixture measured in this work. Additionally, the experimental results are compared with the estimations obtained by applying the group contribution model of UNIFAC, in the versions of Larsen et al. (1987) [16] and Gmehling et al. (1993) [17]. Several empirical expressions for estimating ternary properties from binary results were also tested

  7. Study of poly (acrylamide-co-2-acrylamido-2-methylpropane sulfonic acid) hydrogel using gamma radiation initiation

    International Nuclear Information System (INIS)

    Zhang, C.; Easteal, A.J.

    1998-01-01

    Full text: Poly (acrylamide-co-2-acrylamido-2-methylpropane sulfonic acid ) (PAAM-co-AMPS) polyelectrolyte hydrogels were formed by using γ-radiation to initiate polymerization and cross-linking. The dependence of chain growth and cross-linking of liquid-like gel on absorbed dose was observed by viscosity measurement. It was found that the viscosity of liquid-like gel increased non-linearly with increasing radiation dose. Crosslinking took place at about 2,300 Gy. It was noted that an ageing effect occurred, such that the viscosity of liquid-like gels decreased significantly on standing. X-ray diffraction revealed that after dehydration the dried gels were amorphous, suggesting that radiation polymerization occurs by random initiation and propagation. Differential scanning calorimetry (DSC) indicated a clear distinction between the thermal behaviour of the homopolymer gels formed by irradiation, and the behaviour of the copolymer gels. PAAM-co-AMPS gels have enhanced thermal stability in comparison to PAAM and PAMPS. The melting points of water in the gels initially increase with increasing dose, and decrease slightly at very high radiation dose. Those trends can be explained by the variation in the numbers of solute molecules or ions in the gels with absorbed dose. Melting points of water in gels can be used for observation of the polymerization process associated with irradiation. Copolymer composition (expressed by either f 1 (AAM molal fraction ) or f 2 (AMPS molal fraction) ) associated with radiation dose was determined by both elemental analysis and FTIR. Both methods show that f 1 increases to a maximum with increasing dose, and subsequently decreases. It is concluded that PAAM-co-AMPS hydrogels were synthesised successfully by gamma radiation initiation, and that copolymer compositions are dependent on radiation dose

  8. Propene concentration sensing for combustion gases using quantum-cascade laser absorption near 11 μm

    KAUST Repository

    Chrystie, Robin

    2015-05-29

    We report on a strategy to measure, in situ, the concentration of propene (C3H6) in combustion gases using laser absorption spectroscopy. Pyrolysis of n-butane was conducted in a shock tube, in which the resultant gases were probed using an extended cavity quantum-cascade laser. A differential absorption approach using online and offline wavelengths near λ = 10.9 μm enabled discrimination of propene, cancelling the effects of spectral interference from the simultaneous presence of intermediate hydrocarbon species during combustion. Such interference-free measurements were facilitated by exploiting the =C–H bending mode characteristic to alkenes (olefins). It was confirmed, for intermediate species present during pyrolysis of n-butane, that their absorption cross sections were the same magnitude for both online and offline wavelengths. Hence, this allowed time profiles of propene concentration to be measured during pyrolysis of n-butane in a shock tube. Time profiles of propene subsequent to a passing shock wave exhibit trends similar to that predicted by the well-established JetSurF 1.0 chemical kinetic mechanism, albeit lower by a factor of two. Such a laser diagnostic is a first step to experimentally determining propene in real time with sufficient time resolution, thus aiding the refinement and development of chemical kinetic models for combustion. © 2015 Springer-Verlag Berlin Heidelberg

  9. Synthesis and Evaluation of Poly(Sodium 2-Acrylamido-2-Methylpropane Sulfonate-co-Styrene/Magnetite Nanoparticle Composites as Corrosion Inhibitors for Steel

    Directory of Open Access Journals (Sweden)

    Gamal A. El-Mahdy

    2014-01-01

    Full Text Available Self-stabilized magnetic polymeric composite nanoparticles of coated poly-(sodium 2-acrylamido-2-methylpropane sulfonate-co-styrene/magnetite (PAMPS-Na-co-St/Fe3O4 were prepared by emulsifier-free miniemulsion polymerization using styrene (St as a monomer, 2-acrylamido-2-methylpropane sulfonic acid sodium salt (AMPS-Na as an ionic comonomer, N,N-methylenebisacrylamide (MBA as crosslinker, hexadecane (HD as a hydrophobic solvent, and 2,2-azodiisobutyronitrile (AIBN as an initiator in the presence of hydrophobic oleic acid coated magnetite particles. Hydrophobic oleic acid coated magnetite particles with an average size of about 7-10 nm were prepared with the new modified water-based magnetite ferrofluid, synthesized by a chemical modified coprecipitation method. The morphology and the particle size distributions of the crosslinked PAMPS-Na-co-St/Fe3O4 composite were observed and analyzed by transmission electron microscopy (TEM. The average Fe3O4 content of PAMPS-Na-co-St/Fe3O4 was determined by thermogravimetric analysis (TGA. The inhibitory action of PAMPS-Na-co-St/Fe3O4 towards steel corrosion in 1 M HCl solutions has been investigated by polarization and electrochemical impedance spectroscopy (EIS methods. Polarization measurements indicate that PAMPS-Na-co-St/Fe3O4 acts as a mixed type-inhibitor and the inhibition efficiency increases with inhibitor concentration. The results of potentiodynamic polarization and EIS measurements clearly showed that the inhibition mechanism involves blocking of the steel surface by inhibitor molecules via adsorption.

  10. Experimental and modeling study of the oxidation of n- and iso-butanal

    KAUST Repository

    Veloo, Peter S.; Dagaut, P.; Togbé , Casimir; Dayma, Guillaume; Sarathy, Mani; Westbrook, Charles K.; Egolfopoulos, Fokion N.

    2013-01-01

    Understanding the kinetics of large molecular weight aldehydes is essential in the context of both conventional and alternative fuels. For example, they are key intermediates formed during the low-temperature oxidation of hydrocarbons as well as during the high-temperature oxidation of oxygenated fuels such as alcohols. In this study, an experimental and kinetic modeling investigation of n-butanal (. n-butyraldehyde) and iso-butanal (. iso-butyraldehyde or 2-methylpropanal) oxidation kinetics was performed. Experiments were performed in a jet stirred reactor and in counterflow flames over a wide range of equivalence ratios, temperatures, and pressures. The jet stirred reactor was utilized to observe the evolution of stable intermediates and products for the oxidation of n- and iso-butanal at elevated pressures and low to intermediate temperatures. The counterflow configuration was utilized for the determination of laminar flame speeds. A detailed chemical kinetic interpretative model was developed and validated consisting of 244 species and 1198 reactions derived from a previous study of the oxidation of propanal (propionaldehyde). Extensive reaction pathway and sensitivity analysis was performed to provide detailed insight into the mechanisms governing low-, intermediate-, and high-temperature reactivity. The simulation results using the present model are in good agreement with the experimental laminar flame speeds and well within a factor of two of the speciation data obtained in the jet stirred reactor. © 2013 The Combustion Institute.

  11. Experimental and modeling study of the oxidation of n- and iso-butanal

    KAUST Repository

    Veloo, Peter S.

    2013-09-01

    Understanding the kinetics of large molecular weight aldehydes is essential in the context of both conventional and alternative fuels. For example, they are key intermediates formed during the low-temperature oxidation of hydrocarbons as well as during the high-temperature oxidation of oxygenated fuels such as alcohols. In this study, an experimental and kinetic modeling investigation of n-butanal (. n-butyraldehyde) and iso-butanal (. iso-butyraldehyde or 2-methylpropanal) oxidation kinetics was performed. Experiments were performed in a jet stirred reactor and in counterflow flames over a wide range of equivalence ratios, temperatures, and pressures. The jet stirred reactor was utilized to observe the evolution of stable intermediates and products for the oxidation of n- and iso-butanal at elevated pressures and low to intermediate temperatures. The counterflow configuration was utilized for the determination of laminar flame speeds. A detailed chemical kinetic interpretative model was developed and validated consisting of 244 species and 1198 reactions derived from a previous study of the oxidation of propanal (propionaldehyde). Extensive reaction pathway and sensitivity analysis was performed to provide detailed insight into the mechanisms governing low-, intermediate-, and high-temperature reactivity. The simulation results using the present model are in good agreement with the experimental laminar flame speeds and well within a factor of two of the speciation data obtained in the jet stirred reactor. © 2013 The Combustion Institute.

  12. Biocompatibility of polypropylene non-woven fabric membrane via UV-induced graft polymerization of 2-acrylamido-2-methylpropane sulfonic acid

    Energy Technology Data Exchange (ETDEWEB)

    Song Lingjie [State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Graduate University of Chinese Academy of Sciences, Beijing 100049 (China); Zhao Jie; Yang Huawei; Jin Jing; Li Xiaomeng [State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Stagnaro, Paola [Istituto per Io Studio delle Macromolecole, Consiglio Nazionale delle Ricerche, Via de Marini 6, 16149 Genova (Italy); Yin Jinghua, E-mail: yinjh@ciac.jl.cn [State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China)

    2011-10-15

    This work described the graft polymerization of a sulfonic acid terminated monomer, 2-acrylamido-2-methylpropane sulfonic acid (AMPS), onto the surface of polypropylene non-woven (NWF PP) membrane by O{sub 2} plasma pretreatment and UV-induced photografting method. The chemical structure and composition of the modified surfaces were analyzed by FTIR-ATR and XPS, respectively. The wettability was investigated by water contact angle and equilibrium water adsorption. And the biocompatibility of the modified NWF PP membranes was evaluated by protein adsorption and platelet adhesion. It was found that the graft density increased with prolonging UV irradiation time and increasing AMPS concentration; the water contact angles of the membranes decreased from 124{sup o} to 26{sup o} with the increasing grafting density of poly(AMPS) from 0 to 884.2 {mu}g cm{sup -2}, while the equilibrium water adsorption raised from 5 wt% to 75 wt%; the protein absorption was effectively suppressed with the introduction of poly(AMPS) even at the low grafting density (132.4 {mu}g cm{sup -2}); the number of platelets adhering to the modified membrane was dramatically reduced when compared with that on its virgin surface. These results indicated that surface modification of NWF PP membrane with AMPS was a facile approach to construct biocompatible surface.

  13. Etherify field butanes

    International Nuclear Information System (INIS)

    Sarathy, P.R.; Suffridge, G.S.

    1993-01-01

    This paper reports on capital and operating cost considerations which can be reviewed, with technology alternatives and preferences, to develop investment analyses for large MTBE projects consisting of butane isomerization, isobutane dehydrogenation and isobutylene etherification. fuel oxygenates improve hydrocarbon burning efficiency of gasolines and reduce carbon monoxide emissions. They also help reduce atmospheric ozone resulting from gasoline evaporative emissions due to their lower volatility and atmospheric reactivity characteristics in comparison with hydrocarbon constituents of the refinery gasoline they replace. These polluted areas are also the country's population centers. Because of oxygenates' clean-burning properties, they are expected to play a significant role in U. S. gasoline blends. A significant role is also projected for the rest of the world, where clean burning high octane fuels will be needed

  14. Future butanes supply/demand

    International Nuclear Information System (INIS)

    Whitley, S.C.

    1992-01-01

    This paper graphically depicts, through in-depth supply/demand analysis, how environmental regulations can be both bad and good for an industry. In the case of n-butane, the Environmental Protection Agency (EPA) summertime gasoline volatility regulations are a culprit - threatening to ultimately destroy refinery demand for the product as a gasoline blendstock. Waiting in the wings are environmental regulations that should eventually prove to be n-butane's savior. The regulations referred to here are the Clean Air Act (CAA) of 1990's mandate for motor fuel oxygenates. The negative impact of gasoline volatility regulations on U.S. n-butane demand and the positive impact that should come from the use of n-butane as a MTBE precursor are covered. Many variables exist which make studying the effects of these environmental regulations very difficult. Over the past three years RPC Group has conducted numerous studies on n-butane supply/demand, as impacted by both EPA gasoline volatility and fuel oxygenate regulations

  15. 40 CFR 80.82 - Butane blending.

    Science.gov (United States)

    2010-07-01

    ... FUELS AND FUEL ADDITIVES Reformulated Gasoline § 80.82 Butane blending. A refiner for any refinery that produces gasoline by blending butane with conventional gasoline or reformulated gasoline or RBOB may meet... paragraph (b)(1) of this section, the refiner may: (i) Blend the butane with conventional gasoline, or...

  16. Drugs for stroke: action of nitrone (Z)-N-(2-bromo-5-hydroxy-4-methoxybenzylidene)-2-methylpropan-2-amine oxide on rat cortical neurons in culture subjected to oxygen-glucose-deprivation.

    Science.gov (United States)

    Arce, Carmen; Diaz-Castroverde, Sabela; Canales, María J; Marco-Contelles, José; Samadi, Abdelouahid; Oset-Gasque, María J; González, María P

    2012-09-01

    The action of (Z)-N-(2-bromo-5-hydroxy-4-methoxybenzylidene)-2-methylpropan-2-amine oxide (RP6) on rat cortical neurons in culture, under oxygen-glucose-deprivation conditions, is reported. Cortical neurons in culture were treated during 1 h with OGD. After, they were placed under normal conditions during 24 h (reperfusion) in absence and presence of RP6. Different parameters were measured under each condition (control, 1 h OGD and 1 h OGD + reperfusion in absence and presence of RP6). RP6 protects neurons against ROS generation, lipid peroxidation levels, LDH release and mitochondrial membrane potential alteration, when administered during reperfusion after the OGD damage. Consequently, these results show that nitrone RP6 protects cells against ischemia injury produced during the reoxygenation, and could be a potential drug for the ictus therapy. Copyright © 2012. Published by Elsevier Masson SAS.

  17. Synthesis, structural, spectroscopic, anti-cancer and molecular docking studies on novel 2-[(Anthracene-9-ylmethylene)amino]-2-methylpropane-1,3-diol using XRD, FTIR, NMR, UV-Vis spectra and DFT

    Science.gov (United States)

    Pavitha, P.; Prashanth, J.; Ramu, G.; Ramesh, G.; Mamatha, K.; Venkatram Reddy, Byru

    2017-11-01

    The novel titled compound 2-[(Anthracene-9-ylmethylene)amino]-2-methylpropane-1,3-diol (AMD) has been synthesized by slow evaporation technique from mixed solvent system of methanol with anthracene-9-carbaldehyde and 2-amino-2-methylpropane-1,3-diol. The synthesized molecule AMD was characterized experimentally by single crystal XRD, FTIR, NMR and UV-Vis spectra and density functional theory (DFT) computations. The structure of the crystal has been determined as orthorhombic system with space group P 21 21 21 and the cell parameters are obtained using XRD data. The optimized ground state geometry of the molecule is determined by evaluating torsional potentials as a function of angle of free rotation around Csbnd C bonds of functional groups by DFT method employing B3LYP functional with 6-311++G(d,p) basis set. All the fundamental vibrations of the molecule are assigned unambiguously using potential energy distribution (PED) obtained in the DFT computations. The rms error between the observed and scaled frequencies is 6.20 cm-1. The values of dipole moment, polarizability and hyperpolarizability are evaluated to study the NLO behavior of the molecule. The HOMO-LUMO energies and thermodynamic parameters are also determined. The molecular electrostatic surface potential (MESP) is mapped to obtain the charge density distribution. The 1H and 13C NMR chemical shifts of the molecule are calculated by the gauge independent atomic orbital (GIAO) method and compared with experimental results. UV-visible spectrum of the compound is also recorded in the region 200-800 nm to know the type of electronic transitions involved. The anti-cancer activity of AMD is determined against human breast cancer cell line MCF-7 and human prostate cancer cell line PC-3 and correlated the results with study of molecular docking against pharmacological protein IDO-1 receptor.

  18. Reaction rate of propene pyrolysis.

    Science.gov (United States)

    Han, Peipei; Su, Kehe; Liu, Yan; Wang, Yanli; Wang, Xin; Zeng, Qingfeng; Cheng, Laifei; Zhang, Litong

    2011-10-01

    The reaction rate of propene pyrolysis was investigated based on the elementary reactions proposed in Qu et al., J Comput Chem 2009, 31, 1421. The overall reaction rate was developed with the steady-state approximation and the rate constants of the elementary reactions were determined with the variational transition state theory. For the elementary reaction having transition state, the vibrational frequencies of the selected points along the minimum energy path were calculated with density functional theory at B3PW91/6-311G(d,p) level and the energies were improved with the accurate model chemistry method G3(MP2). For the elementary reaction without transition state, the frequencies were calculated with CASSCF/6-311G(d,p) and the energies were refined with the multireference configuration interaction method MRCISD/6-311G(d,p). The rate constants were evaluated within 200-2000 K and the fitted three-parameter expressions were obtained. The results are consistent with those in the literatures in most cases. For the overall rate, it was found that the logarithm of the rate and the reciprocal temperature have excellent linear relationship above 400 K, predicting that the rate follows a typical first-order law at high temperatures of 800-2000 K, which is also consistent with the experiments. The apparent activation energy in 800-2000 K is 317.3 kJ/mol from the potential energy surface of zero Kelvin. This value is comparable with the energy barriers, 365.4 and 403.7 kJ/mol, of the rate control steps. However, the apparent activation energy, 215.7 kJ/mol, developed with the Gibbs free energy surface at 1200 K is consistent with the most recent experimental result 201.9 ± 0.6 kJ/mol. Copyright © 2011 Wiley Periodicals, Inc.

  19. Efficient epoxidation of propene using molecular catalysts

    DEFF Research Database (Denmark)

    Markovits, Iulius I. E.; Anthofer, Michael H.; Kolding, Helene

    2014-01-01

    The epoxidation of propene is performed in homogeneous phase using various molecular catalysts and H2O2 or tert-butyl hydroperoxide as oxidants. A comparison between some molybdenum catalysts and methyltrioxorhenium (MTO) shows that the well known Re catalyst is the best among the examined...

  20. Ignition properties of n-butane and iso-butane in a rapid compression machine

    NARCIS (Netherlands)

    Gersen, S.; Mokhov, A. V.; Darmeveil, J. H.; Levinsky, H. B.

    Autoignition delay times of n-butane and iso-butane have been measured in a Rapid Compression Machine in the temperature range 660-1010 K, at pressures varying from 14 to 36 bar and at equivalence ratios phi = 1.0 and phi = 0.5. Both butane isomers exhibit a negative-temperature-coefficient (NTC)

  1. 21 CFR 184.1165 - n-Butane and iso-butane.

    Science.gov (United States)

    2010-04-01

    ... FOR HUMAN CONSUMPTION (CONTINUED) DIRECT FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE Listing of Specific Substances Affirmed as GRAS § 184.1165 n-Butane and iso-butane. (a) n-Butane and iso..., odorless, flammable gases at normal temperatures and pressures. They are easily liquefied under pressure at...

  2. Toxicological evaluation of the flavour ingredient N-(1-((4-amino-2,2-dioxido-1H-benzo[c][1,2,6]thiadiazin-5-yloxy-2-methylpropan-2-yl-2,6-dimethylisonicotinamide (S2218

    Directory of Open Access Journals (Sweden)

    Donald S. Karanewsky

    Full Text Available A toxicological evaluation of N-(1-((4-amino-2,2-dioxido-1H-benzo[c][1,2,6]thiadiazin-5-yloxy-2-methylpropan-2-yl-2,6-dimethylisonicotinamide (S2218; CAS 1622458-34-7, a flavour with modifying properties, was completed for the purpose of assessing its safety for use in food and beverage applications. S2218 exhibited minimal oxidative metabolism in vitro, and in rat pharmacokinetic studies, the compound was poorly orally bioavailable and rapidly eliminated. S2218 was not found to be mutagenic in an in vitro bacterial reverse mutation assay, and was found to be neither clastogenic nor aneugenic in an in vitro mammalian cell micronucleus assay. In subchronic oral toxicity studies in male and female rats, the NOAEL was 140 mg/kg bw/day (highest dose tested for S2218 sulfate salt (S8069 when administered as a food ad-mix for 13 consecutive weeks. Furthermore, S2218 sulfate salt demonstrated a lack of maternal toxicity, as well as adverse effects on fetal morphology at the highest dose tested, providing a NOAEL of 1000 mg/kg bw/day for both maternal toxicity and embryo/fetal development when administered orally during gestation to pregnant rats. Keywords: Flavours with modifying properties, S2218, FEMA GRAS, Subchronic toxicological evaluation, Genetic toxicological evaluation, Developmental toxicity evaluation

  3. n-Butane isomerization over acidic mordenite

    NARCIS (Netherlands)

    Asuquo, Raymond A.; Asuquo, R.A.; Eder-Mirth, Gabriele; Mirth, G.C.; Lercher, J.A.

    1995-01-01

    Conversion of n-butane was studied between 523 K and 623 K over acidic mordenites with SiO2/Al2O3 ratios between 10 and 20. The main products were iso-butane, propane, and pentane. The selectivity to olefins, methane, ethane, C6 paraffins, and aromatics was lower than 4 mol% under all reaction

  4. 2-Methylpropan-2-aminium 2-(methoxycarbonylbenzoate

    Directory of Open Access Journals (Sweden)

    Jian Li

    2011-10-01

    Full Text Available In the title compound, C4H12N+·C9H7O4−, two C atoms and the N atom of the cation lie on a mirror plane, while all the atoms of the anion are disordered about a mirror plane. In the crystal, N—H...O hydrogen bonds link the components into chains along [010]. In the anion, the mean planes of the methoxycarbonyl and carboxylate groups form dihedral angles of 83.0 (2 and 83.2 (2°, respectively, with the aromatic ring.

  5. Propene epoxidation over Au/Ti-SBA-15 catalysts

    NARCIS (Netherlands)

    Sacaliuc, E.; Beale, A.M.; Weckhuysen, B.M.; Nijhuis, T.A.

    2007-01-01

    Highly dispersed gold nanoparticles were synthesized within the channels of a mesoporous Ti-SBA-15 support, followed by thorough catalyst characterization and testing in the selective epoxidation of propene to propene oxide. For this purpose, two series of Ti-SBA-15 materials differing in their Ti

  6. New mechanistic insight in the gold-based propene epoxidation

    NARCIS (Netherlands)

    Parvulescu, E.

    2009-01-01

    Propene oxide is a very important intermediate for the synthesis of commercial products, including adhesives, paints, and cosmetics. The gas-phase epoxidation of propene over Au/Ti-based catalysts is an intriguing scientific topic, not only because of the industrial importance of the production of

  7. Diffusion of n-butane/iso-butane mixtures in silicalite-1 investigated using infrared (IR) microscopy

    NARCIS (Netherlands)

    Chmelik, C.; Heinke, L.; van Baten, J.M.; Krishna, R.

    2009-01-01

    Adsorption and diffusion of n-butane/iso-butane mixtures in individual silicalite-1 crystals has been investigated using infrared (IR) microscopy. The equilibrium sorption isotherm for an equimolar gas phase mixture is calculated using Configurational Bias Monte-Carlo simulations. The comparison

  8. The butane as a component for the gasoline blending

    International Nuclear Information System (INIS)

    Gicheva, Ljubica

    2002-01-01

    In OKTA Crude Oil Refinery - Skopje the production of butane as a pure component is based on a liquid phase and it is used for both TNG (propane-butane gas) and motor gasoline production with a quality that satisfy the standard. By using the butane as a gasoline component the quality of the MB-98 and BMB has been improved. The butane itself ensures octane improvement of the pool, by what the content of the lead additives or the octane of the main component - reformat decreases. Also, the butane addition decreases the density of the final products by what the financial effects have been improved. It is also interesting to explain the usage of butane for gasoline production concerning the new proposed standard. The paper presents the practical results, through tables and diagrams, of the butane usage as a component for gasoline production, as well as the butane influence to the quality of the produced gasoline. (Original)

  9. The butane condensed matter conformational problem

    NARCIS (Netherlands)

    Weber, A.C.J.; de Lange, C.A.; Meerts, W.L.; Burnell, E.E.

    2010-01-01

    From the dipolar couplings of orientationally ordered n-butane obtained by NMR spectroscopy we have calculated conformer probabilities using the modified Chord (Cd) and Size-and-Shape (CI) models to estimate the conformational dependence of the order matrix. All calculation methods make use of

  10. French butane propane committee. 2003 activity report

    International Nuclear Information System (INIS)

    2003-01-01

    This activity report presents the French butane-propane committee (CFBP), an association for the promotion of liquefied petroleum gases (LPG), the characteristics of LPG fuels, the LPG market and its evolution, the CFBP's missions and the 2003 highlights: representation of subscribing companies, participation to standardization works, making techniques and regulations change, improving the safety of equipments and installations, training and information, promoting LPG products. (J.S.)

  11. French butane propane committee. 2004 activity report

    International Nuclear Information System (INIS)

    2004-01-01

    This activity report presents the French butane-propane committee (CFBP), an association for the promotion of liquefied petroleum gases (LPG), the characteristics of LPG fuels, the LPG market and its evolution, the CFBP's missions and the 2004 highlights: representation of subscribing companies, participation to standardization works, making techniques and regulations change, improving the safety of equipments and installations, training and information, promoting LPG products. (J.S.)

  12. COMPREHENSIVE ANALYSIS OF PREBIOTIC PROPENAL UP TO 660 GHz

    Energy Technology Data Exchange (ETDEWEB)

    Daly, A. M.; Bermúdez, C.; Kolesniková, L.; Alonso, J. L., E-mail: Adam.M.Daly@jpl.nasa.gov [Grupo de Espectroscopia Molecular (GEM), Edificio Quifima, Área de Química-Física, Laboratorios de Espectroscopia y Bioespectroscopia, Parque Científico UVa, Unidad Asociada CSIC, Universidad de Valladolid, E-47011 Valladolid (Spain)

    2015-06-22

    Since interstellar detection of propenal is only based on two rotational transitions in the centimeter wave region, its high resolution rotational spectrum has been measured up to 660 GHz and fully characterized by assignment of more than 12,000 transitions to provide direct laboratory data to the astronomical community. Spectral assignments and analysis include transitions from the ground state of the trans and cis isomers, three trans-{sup 13}C isotopologues, and ten excited vibrational states of the trans form. Combining new millimeter and submillimeter data with those from the far-infrared region has yielded the most precise set of spectroscopic constants of trans-propenal obtained to date. Newly determined rotational constants, centrifugal distortion constants, vibrational energies, and Coriolis and Fermi interaction constants are given with high accuracy and were used to predict transition frequencies and intensities over a wide frequency range. Results of this work should facilitate astronomers further observation of propenal in the interstellar medium.

  13. Processes and possibilities for the epoxidation of propene

    NARCIS (Netherlands)

    Nijhuis, T.A.; Makkee, M.; Weckhuysen, B.M.; Moulijn, J.A.

    2007-01-01

    Propene oxide, one of the mayor commodity chemicals used in chemical industry, is in need of a new process for its production because of the disadvantages encountered with the currently available processes. These processes, most importantly the chlorohydrin and the hydroperoxide processes, will be

  14. Development of a new plasma reactor for propene removal

    Science.gov (United States)

    Oukacine, Linda; Tatibouët, Jean-Michel

    2008-10-01

    The purpose of the study is to develop a new plasma reactor being applied to gas phase pollution abatement, involving a surface dielectric barrier discharge (SDBD) at atmospheric pressure. Propene was chosen as a model pollutant. The system can associate a SDBD with a volume dielectric barrier discharge (VDBD). A specific catalyst can be placed in post-plasma site in order to destroy the residual ozone after use it as a strong oxidant for total oxidation of propene and by-products formed by the plasma reactor. A comparative study has been established between the propene removal efficiency of these two plasma geometries. The results demonstrate that SDBD is a promising system for gas cleaning. The experiments show that ozone production depends on plasma system configuration and indicate the effectiveness of combining SDBD and VDBD. The NOx formation remains very low, whereas ozone formation is the highest for the SDBD. The influence of some materials on the propene removal and the ozone production were studied.

  15. Challenges of MTBE development from field butanes

    International Nuclear Information System (INIS)

    Williams, F.

    1991-01-01

    Tenneco Natural Gas Liquids has embarked on a new project to produce Methyl Teritiary Butyl Ether (MTBE) form butanes as have several others. The Clean Air Act will provide the impetus for even more of these plants in the future. In fact, butanes have the potential to go form a surplus product situation today to an important product in the near future. So what follows are our ideas about what the MTBE business looks like form the standpoint of a new producer getting things underway. This paper reports that there are roughly six areas where a potential producer of MTBE or Ethyl Tertiary Butyl Ether (ETBE) for that matter, should have concern. Your planning department should be aware of a source of feedstocks; have adequate storage planned; understand the technology involved and its related cost; be forearmed with an idea of location and its specific market opportunities; be prepared for significant environmental evaluation along with necessary contingency plans; and most importantly display a high degree of optimism as to future markets so as to minimize all of the aforementioned concerns

  16. Theoretical investigation of adiabatic capillary tubes working with propane/n-butane/iso-butane blends

    International Nuclear Information System (INIS)

    Fatouh, M.

    2007-01-01

    In this paper, a theoretical model is developed to predict the refrigerant flow characteristics in adiabatic capillary tubes using propane/n-butane/iso-butane mixtures as working fluids in a domestic refrigerator. This model is based on the mass, energy and momentum conservation equations for a homogeneous refrigerant flow under different inlet conditions, such as subcooled, saturated and two phase flow. The effects of the inlet pressure (8-16 bar), inlet vapor quality (0.001-15%), inlet subcooling degree (1-15 o C), mass flow rate (1-5 kg/h), propane mass fraction (0.5-0.7), capillary tube inner diameter (0.6-1.0 mm) and the tube surface roughness on the capillary tube length are predicted. The results showed that the present model predicts data that are very close to the available experimental data in the literature with an average error of 2.65%. The pressure of the hydrocarbon mixture (HCM) decreases, while its vapor quality, specific volume and Mach number increase along the capillary tube. Also, the results indicated that the capillary tube length is largely dependent on the capillary tube diameter. Other parameters such as mass flow rate, inlet pressure, subcooling degree (or quality) and relative roughness influence the capillary tube length in that order. The capillary tube length as a function of the significant parameters is presented in equation form. Also, capillary tube selection charts either to predict the mass flow rates of propane/n-butane/iso-butane mixtures through adiabatic capillary tubes or to select the capillary tube size according to the required applications are developed. The comparison between R12, R134a and the hydrocarbon mixture (HCM) of propane/n-butane/iso-butane indicated that for a given mass flow rate, the pressure drop per unit length is about 4.13, 5.0 and 12.0 bar/m for R12, R134a and HCM, respectively. The ratios of the average mass flow rate of the HCM with a propane mass fraction of 0.6 to those of R12 and R134a are about

  17. Shock tube measurements of the branching ratios of propene + OH -> products

    KAUST Repository

    Khaled, Fathi

    2014-07-25

    Absolute rate coefficients for the reaction of OH radical with propene (C3H6) and five deutrated isotopes, propene-1-d1 (CDHCHCH3), propene-1,1-d2 (CD2CHCH3), propene-2-d1 (CH2CDCH3), propene-3,3,3-d3 (CH2CHCD3), and propene-d6 (C3D6), were measured in a shock tube behind reflected shock conditions over the temperature range of 812 K – 1460 K and pressures near 1 atm. The reaction progress was followed by monitoring OH radical near 306.7 nm using UV laser absorption. The first experimental measurements for the branching ratio of the title reaction are reported and compared with theoretical calculations. The allylic H atom abstraction of propene by OH radicals was found to be the most dominant reaction pathway followed by propen-1-yl and propen-2-yl channels over the entire temperature range of this study which is in line with theoretical predictions. Arrhenius parameters for various site-specific rate coefficients are provided for kinetic modeling.

  18. International thermodynamic tables of the fluid state propylene (propene)

    CERN Document Server

    Angus, S; De Reuck, K M

    2013-01-01

    International Thermodynamic Tables of the Fluid State - 7 Propylene (Propene) is a compilation of internationally agreed values of the equilibrium thermodynamic properties of propylene. This book is composed of three chapters, and begins with the presentation of experimental result of thermodynamic studies compared with the equations used to generate the tables. The succeeding chapter deals with correlating equations for thermodynamic property determination of propylene. The last chapter provides the tabulations of the propylene's thermodynamic properties and constants. This book will prove

  19. Theoretical study of isomerization and decomposition of propenal

    International Nuclear Information System (INIS)

    Chin, Chih-Hao; Lee, Shih-Huang

    2011-01-01

    We investigated the dynamics of isomerization and multi-channel dissociation of propenal (CH 2 CHCHO), methyl ketene (CH 3 CHCO), hydroxyl propadiene (CH 2 CH 2 CHOH), and hydroxyl cyclopropene (cyclic-C 3 H 3 -OH) in the ground potential-energy surface using quantum-chemical calculations. Optimized structures and vibrational frequencies of molecular species were computed with method B3LYP/6-311G(d,p). Total energies of molecules at optimized structures were computed at the CCSD(T)/6-311+G(3df,2p) level of theory. We established the potential-energy surface for decomposition to CH 2 CHCO + H, CH 2 CH + HCO, CH 2 CH 2 /CH 3 CH + CO, CHCH/CH 2 C + H 2 CO, CHCCHO/CH 2 CCO + H 2 , CHCH + CO + H 2 , CH 3 + HCCO, CH 2 CCH + OH, and CH 2 CC/cyclic-C 3 H 2 + H 2 O. Microcanonical rate coefficients of various reactions of trans-propenal with internal energies 148 and 182 kcal mol -1 were calculated using Rice-Ramsperger-Kassel-Marcus and Variational transition state theories. Product branching ratios were derivable using numerical integration of kinetic master equations and the steady-state approximation. The concerted three-body dissociation of trans-propenal to fragments C 2 H 2 + CO + H 2 is the prevailing channel in present calculations. In contrast, C 3 H 3 O + H, C 2 H 3 + HCO and C 2 H 4 + CO were identified as major channels in the photolysis of trans-propenal. The discrepancy between calculations and experiments in product branching ratios indicates that the three major photodissociation channels occur mainly on an excited potential-energy surface whereas the other channels occur mainly on the ground potential-energy surface. This work provides profound insight in the mechanisms of isomerization and multichannel dissociation of the system C 3 H 4 O.

  20. Continuous degradation of trichloroethylene by Xanthobacter sp. strain Py2 during growth on propene.

    OpenAIRE

    Reij, M W; Kieboom, J; de Bont, J A; Hartmans, S

    1995-01-01

    Propene-grown Xanthobacter sp. strain Py2 cells can degrade trichloroethylene (TCE), but the transformation capacity of such cells was limited and depended on both the TCE concentration and the biomass concentration. Toxic metabolites presumably accumulated extracellularly, because the fermentation of glucose by yeast cells was inhibited by TCE degradation products formed by strain Py2. The affinity of the propene monooxygenase for TCE was low, and this allowed strain Py2 to grow on propene i...

  1. Enhancement of catalyst performance in the direct propene epoxidation: a study into gold-titanium synergy

    NARCIS (Netherlands)

    Chen, J.; Halin, S.J.A.; Pidko, E.A.; Verhoeven, M.W.G.M.; Perez Ferrandez, D.M.; Hensen, E.J.M.; Schouten, J.C.; Nijhuis, T.A.

    2013-01-01

    Enhanced productivity toward propene oxide in the direct propene epoxidation with hydrogen and oxygen over gold nanoparticles supported on titanium-grafted silica was achieved by adjusting the gold–titanium synergy. Highly isolated titanium sites were obtained by lowering the titanium loading

  2. Reference Correlations of the Thermal Conductivity of Ethene and Propene.

    Science.gov (United States)

    Assael, M J; Koutian, A; Huber, M L; Perkins, R A

    2016-09-01

    New, wide-range reference equations for the thermal conductivity of ethene and propene as a function of temperature and density are presented. The equations are based in part upon a body of experimental data that has been critically assessed for internal consistency and for agreement with theory whenever possible. For ethene, we estimate the uncertainty (at the 95% confidence level) for the thermal conductivity from 110 K to 520 K at pressures up to 200 MPa to be 5% for the compressed liquid and supercritical phases. For the low-pressure gas phase (to 0.1 MPa) over the temperature range 270 K to 680 K, the estimated uncertainty is 4%. The correlation is valid from 110 K to 680 K and up to 200 MPa, but it behaves in a physically reasonable manner down to the triple point and may be used at pressures up to 300 MPa, although the uncertainty will be larger in regions where experimental data were unavailable. In the case of propene, data are much more limited. We estimate the uncertainty for the thermal conductivity of propene from 180 K to 625 K at pressures up to 50 MPa to be 5% for the gas, liquid, and supercritical phases. The correlation is valid from 180 K to 625 K and up to 50 MPa, but it behaves in a physically reasonable manner down to the triple point and may be used at pressures up to 100 MPa, although the uncertainty will be larger in regions where experimental data were unavailable. For both fluids, uncertainties in the critical region are much larger, since the thermal conductivity approaches infinity at the critical point and is very sensitive to small changes in density.

  3. Biotreatment of ammonia- and butanal-containing waste gases.

    Science.gov (United States)

    Weckhuysen, B; Vriens, L; Verachtert, H

    1994-10-01

    The biological removal of ammonia and butanal in contaminated air was investigated by using, respectively, a laboratory-scale filter and a scrubber-filter combination. It was shown that ammonia can be removed with an elimination efficiency of 83% at a volumetric load of 100 m3.m-2.h-1 with 4-16 ppm of ammonia. During the experiment percolates were analysed for nitrate, nitrite, ammonium and pH. It was found that the nitrification in the biofilter could deteriorate due to an inhibition of Nitrobacter species, when the free ammonia concentration was rising in the percolate. It should be easy to control such inhibition through periodic analysis of the liquid phase by using a filter-scrubber combination. Such a combination was studied for butanal removal. Butanal was removed with an elimination efficiency of 80% by a scrubber-filter combination at a volumetric load of 100 m3.m-2.h-1 and a high butanal input concentration. Mixing the filter material with CaCO3 and pH control of the liquid in the scrubber resulted in an increase of the elimination efficiency. These results, combined with previous results on the biofiltration of butanal and butyric acid, allow us to discuss the influence of odour compounds on the removal efficiency of such systems and methods for control. The results were used to construct a full-size system, which is described.

  4. French butane propane committee. 2003 activity report; Comite Francais du Butane et du Propane. Rapport d'activite 2003

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-05-01

    This activity report presents the 2003 status of the actions carried out by the French butane and propane committee (CFBP) for the development of the liquefied petroleum gas (LPG) industry in France. While the past year has seen the butane, propane and LPG-fuel sales following the decay started 4 years ago, in 2004 the CFBP has reinforced its actions of public information about the LPG energy choice and has carried out several projects in order to improve the safety of LPG tanks and storage facilities, one of the first concern of LPG industry. (J.S.)

  5. Butane-1,4-diyl bis(pyridine-4-carboxylate

    Directory of Open Access Journals (Sweden)

    J. Muthukumaran

    2011-07-01

    Full Text Available The molecule of the title compound, C16H16N2O4, lies about an inversion centre; the butane chain adopts an extended zigzag conformation. The dihedral angle between the pyridine ring and the adjacent COO group is 3.52 (s14°.

  6. Elimination of butanal from odorous air by a labscale biofilter

    NARCIS (Netherlands)

    Weckhuysen, B.M.; Vriens, L.; Verachtert, H.

    1991-01-01

    Butanal was chosen as a model compound for testing the performance of biofilters. It's a member of an important class of odour compounds released by waste water treatment plants of animal rendering and food processing industry. The influence of nutrient supplementation has been investigated using

  7. Biotreatment of ammonia and butanal containing waste gases

    NARCIS (Netherlands)

    Weckhuysen, B.M.; Vriens, L.; Verachtert, H.

    1994-01-01

    Abstract The biological removal of ammonia and butanal in contaminated air was investigated by using, respectively, a laboratory-scale filter and a scrubber-filter combination. It was shown that ammonia can be removed with an elimination efficiency of 83% at a volumetric load of 100 m3·m–2·h–1 with

  8. Isomerization of 2-phospha-4-silabicyclo[1.10]butane

    NARCIS (Netherlands)

    Slootweg, J.C.; Ehlers, A.W.; Lammertsma, K.

    2004-01-01

    In analogy with the valence isomerism of the hydrocarbons bicyclobutane, 1,3-butadiene and cyclobutene, the rearrangements for 2-phospha-4-sila- bicyclo[1.1.0]butane were studied at the B3LYP/6-311+G** level of theory. The monocyclic 1,2-dihydro-1,2-phosphasilete is shown to be the thermodynamically

  9. Exports of propane and butanes, January-December 1993

    International Nuclear Information System (INIS)

    1994-05-01

    Tables are presented showing exports of propane and butane for each month of 1993. Comparisons with the same month in 1992 are included, as well as a running total. Export quantities are given in m 3 by region within Canada and for Canada as a whole, and as m 3 /d for Canada as a whole. Average export prices in Canadian cents per liter for the same seven regions and Canada as a whole are also given. Exports show a seasonal trend, with a low of 8,681 m 3 /d in May and a high of 18,565 m 3 in December for propane. Butane exports also show a seasonal trend with a low of 1,806 m 3 /d in June and a high of 9,306 m 3 /d in January. Propane prices ranged from 9.68 cents/l in December to 12.47 cents/l in February, compared to a range of 7.55 to 10.71 cents/l in 1992. Butane prices ranged from 9.22 cents/l in November to 12.38 cents/l in June, compared to a range of 10 to 12.78 cents/l in 1992. Total propane exports in 1993 were 4,761,795 m 3 (6.8% higher than in 1992) and total butane exports were 1,974,682 m 3 (13% lower than in 1992). 24 tabs

  10. Electrochemical Oxidation of Propene with a LSF15/CGO10 Electrochemical Reactor

    DEFF Research Database (Denmark)

    Ippolito, Davide; Kammer Hansen, Kent

    2014-01-01

    A porous electrochemical reactor, made of La0.85Sr0.15FeO3 (LSF) as electrode and Ce0.9Gd0.1O1.95 (CGO) as electrolyte, was studied for the electrochemical oxidation of propene over a wide range of temperatures. Polarization was found to enhance propene oxidation rate. Ce0.9Gd0.1O1.95 was used...... as infiltration material to enhance the effect of polarization on propene oxidation rate, especially at low temperatures. The influence of infiltrated material, as a function of heat treatment, on the reactor electrochemical behavior has been evaluated by using electrochemical impedance spectroscopy...... in suppressing the competing oxygen evolution reaction and promoting the oxidation of propene under polarization, with faradaic efficiencies above 70% at 250◦C. © 2014 The Electrochemical Society....

  11. Development of a two-wavelength IR laser absorption diagnostic for propene and ethylene

    Science.gov (United States)

    Parise, T. C.; Davidson, D. F.; Hanson, R. K.

    2018-05-01

    A two-wavelength infrared laser absorption diagnostic for non-intrusive, simultaneous quantitative measurement of propene and ethylene was developed. To this end, measurements of absorption cross sections of propene and potential interfering species at 10.958 µm were acquired at high-temperatures. When used in conjunction with existing absorption cross-section measurements of ethylene and other species at 10.532 µm, a two-wavelength diagnostic was developed to simultaneously measure propene and ethylene, the two small alkenes found to generally dominate the final decomposition products of many fuel hydrocarbon pyrolysis systems. Measurements of these two species is demonstrated using this two-wavelength diagnostic scheme for propene decomposition between 1360 and 1710 K.

  12. A shock tube study of the branching ratios of propene + OH reaction

    KAUST Repository

    Badra, Jihad

    2014-12-01

    Absolute rate coefficients for the reaction of the OH radical with propene (C3H6) and five deuterated isotopes, propene-1-D1 (CDHCHCH3), propene-1,1-D2 (CD2CHCH3), propene-1,1,2-D3 (CD2CDCH3), propene-3,3,3-D3 (CH2CHCD3), and propene-D6 (C3D6), were measured behind reflected shock waves over the temperature range of 818-1460 K and pressures near 1 atm. The reaction progress was followed by monitoring the OH radical near 306.7 nm using UV laser absorption. Kinetic isotope effects in the measured rate coefficients are discussed and rationalized for the site-specific H-abstraction by the OH radical. The first experimental measurements for the branching ratio of the title reaction are reported and compared with transition state theory calculations. The allylic H-atom abstraction of propene by OH radicals was found to be the most dominant reaction pathway followed by propen-1-yl and propen-2-yl channels over the entire temperature range of this study. The derived Arrhenius expressions for various site-specific rate coefficients over 818-1442 K are (the subscript in the rate coefficient identifies the position of H or D atom according to the IUPAC nomenclature of alkenes):k3,H = 2.32 × 10-11 exp(-2341 K/T) cm3 molecule-1 s-1k3,D = 1.96 × 10-11 exp(-2420 K/T) cm3 molecule-1 s-1k1,H = 1.39 × 10-11 exp(-2270 K/T) cm3 molecule-1 s-1k1,D = 1.95 × 10-11 exp(-2868 K/T) cm3 molecule-1 s-1k2,H = 7.2 × 10-12 exp(-2282 K/T) cm3 molecule-1 s-1k2,D = 7.69 × 10-12 exp(-2575 K/T) cm3 molecule-1 s-1 This journal is

  13. Two cases of acute propane/butane poisoning in prison.

    Science.gov (United States)

    Rossi, Riccardo; Suadoni, Fabio; Pieroni, Ludovica; De-Giorgio, Fabio; Lancia, Massimo

    2012-05-01

    Hydrocarbon inhalation is seldom chosen as a means to commit suicide. This practice is exclusively a prerogative of the prison population; it is, however, only exceptionally found in this environment. The two cases of lethal inhalation of propane/butane gas observed by us over a very short time occurred in this context. Toxicologic analyses were performed by means of gas chromatography (head space) and revealed a propane/butane mixture in all specimens (heart blood, bile, and urine) except vitreous humor. Although fatal arrhythmia posthydrocarbon gas abuse is well known, the concentrations of the two hydrocarbons were sufficient to induce death by asphyxiation and were distributed (fairly) homogeneously in all biological fluids and organs examined, a parameter permitting one to assume that death occurred within a relatively short period of time. The absence of finding in vitreous humor and the trace amount in urine suggests that both men died very quickly. © 2011 American Academy of Forensic Sciences.

  14. Butane isomer separation with composite zeolite MFI mebranes

    Czech Academy of Sciences Publication Activity Database

    Hrabánek, Pavel; Zikánová, Arlette; Bernauer, B.; Fíla, V.; Kočiřík, Milan

    2009-01-01

    Roč. 245, 1-3 (2009), s. 437-443 ISSN 0011-9164 R&D Projects: GA ČR GA203/07/1443; GA AV ČR KAN400720701; GA AV ČR(CZ) 1QS401250509 Institutional research plan: CEZ:AV0Z40400503 Keywords : zeolite MFI * membranes * separation * butane isomers Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.034, year: 2009

  15. Thermophilic archaea activate butane via alkyl-coenzyme M formation.

    Science.gov (United States)

    Laso-Pérez, Rafael; Wegener, Gunter; Knittel, Katrin; Widdel, Friedrich; Harding, Katie J; Krukenberg, Viola; Meier, Dimitri V; Richter, Michael; Tegetmeyer, Halina E; Riedel, Dietmar; Richnow, Hans-Hermann; Adrian, Lorenz; Reemtsma, Thorsten; Lechtenfeld, Oliver J; Musat, Florin

    2016-11-17

    The anaerobic formation and oxidation of methane involve unique enzymatic mechanisms and cofactors, all of which are believed to be specific for C 1 -compounds. Here we show that an anaerobic thermophilic enrichment culture composed of dense consortia of archaea and bacteria apparently uses partly similar pathways to oxidize the C 4 hydrocarbon butane. The archaea, proposed genus 'Candidatus Syntrophoarchaeum', show the characteristic autofluorescence of methanogens, and contain highly expressed genes encoding enzymes similar to methyl-coenzyme M reductase. We detect butyl-coenzyme M, indicating archaeal butane activation analogous to the first step in anaerobic methane oxidation. In addition, Ca. Syntrophoarchaeum expresses the genes encoding β-oxidation enzymes, carbon monoxide dehydrogenase and reversible C 1 methanogenesis enzymes. This allows for the complete oxidation of butane. Reducing equivalents are seemingly channelled to HotSeep-1, a thermophilic sulfate-reducing partner bacterium known from the anaerobic oxidation of methane. Genes encoding 16S rRNA and methyl-coenzyme M reductase similar to those identifying Ca. Syntrophoarchaeum were repeatedly retrieved from marine subsurface sediments, suggesting that the presented activation mechanism is naturally widespread in the anaerobic oxidation of short-chain hydrocarbons.

  16. French butane propane committee. 2004 activity report; Comite francais du butane et du propane. Rapport d'activite 2004

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-07-01

    This activity report presents the French butane-propane committee (CFBP), an association for the promotion of liquefied petroleum gases (LPG), the characteristics of LPG fuels, the LPG market and its evolution, the CFBP's missions and the 2004 highlights: representation of subscribing companies, participation to standardization works, making techniques and regulations change, improving the safety of equipments and installations, training and information, promoting LPG products. (J.S.)

  17. French butane propane committee. 2003 activity report; Comite francais du butane et du propane. Rapport d'activite 2003

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2003-07-01

    This activity report presents the French butane-propane committee (CFBP), an association for the promotion of liquefied petroleum gases (LPG), the characteristics of LPG fuels, the LPG market and its evolution, the CFBP's missions and the 2003 highlights: representation of subscribing companies, participation to standardization works, making techniques and regulations change, improving the safety of equipments and installations, training and information, promoting LPG products. (J.S.)

  18. Selective propene oxidation on mixed metal oxide catalysts

    International Nuclear Information System (INIS)

    James, David William

    2002-01-01

    Selective catalytic oxidation processes represent a large segment of the modern chemical industry and a major application of these is the selective partial oxidation of propene to produce acrolein. Mixed metal oxide catalysts are particularly effective in promoting this reaction, and the two primary candidates for the industrial process are based on iron antimonate and bismuth molybdate. Some debate exists in the literature regarding the operation of these materials and the roles of their catalytic components. In particular, iron antimonate catalysts containing excess antimony are known to be highly selective towards acrolein, and a variety of proposals for the enhanced selectivity of such materials have been given. The aim of this work was to provide a direct comparison between the behaviour of bismuth molybdate and iron antimonate catalysts, with additional emphasis being placed on the component single oxide phases of the latter. Studies were also extended to other antimonate-based catalysts, including cobalt antimonate and vanadium antimonate. Reactivity measurements were made using a continuous flow microreactor, which was used in conjunction with a variety of characterisation techniques to determine relationships between the catalytic behaviour and the properties of the materials. The ratio of Fe/Sb in the iron antimonate catalyst affects the reactivity of the system under steady state conditions, with additional iron beyond the stoichiometric value being detrimental to the acrolein selectivity, while extra antimony provides a means of enhancing the selectivity by decreasing acrolein combustion. Studies on the single antimony oxides of iron antimonate have shown a similarity between the reactivity of 'Sb 2 O 5 ' and FeSbO 4 , and a significant difference between these and the Sb 2 O 3 and Sb 2 O 4 phases, implying that the mixed oxide catalyst has a surface mainly comprised of Sb 5+ . The lack of reactivity of Sb 2 O 4 implies a similarity of the surface with

  19. DETECTION OF PROPENE IN TITAN'S STRATOSPHERE

    Energy Technology Data Exchange (ETDEWEB)

    Nixon, C. A.; Flasar, F. M. [Planetary Systems Laboratory, NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Jennings, D. E. [Detector Systems Branch, NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Bézard, B.; Vinatier, S.; Coustenis, A. [LESIA, Observatoire de Paris, CNRS, 5 Place Jules Janssen, F-92195 Meudon Cedex (France); Teanby, N. A. [School of Earth Sciences, University of Bristol, Wills Memorial Building, Queen' s Road, Bristol BS8 1RJ (United Kingdom); Sung, K. [Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, CA 91109 (United States); Ansty, T. M. [Department of Space Science, Cornell University, Ithaca, NY 14853 (United States); Irwin, P. G. J. [Atmospheric, Oceanic and Planetary Physics, University of Oxford, Clarendon Laboratory, Parks Road, Oxford OX1 3PU (United Kingdom); Gorius, N. [IACS, Catholic University of America, Washington, DC 20064 (United States); Cottini, V. [Department of Astronomy, University of Maryland, College Park, MD 20742 (United States)

    2013-10-10

    The Voyager 1 flyby of Titan in 1980 gave a first glimpse of the chemical complexity of Titan's atmosphere, detecting many new molecules with the infrared interferometer spectrometer (IRIS). These included propane (C{sub 3}H{sub 8}) and propyne (CH{sub 3}C{sub 2}H), while the intermediate-sized C{sub 3}H {sub x} hydrocarbon (C{sub 3}H{sub 6}) was curiously absent. Using spectra from the Composite Infrared Spectrometer on Cassini, we show the first positive detection of propene (C{sub 3}H{sub 6}) in Titan's stratosphere (5σ significance), finally filling the three-decade gap in the chemical sequence. We retrieve a vertical abundance profile from 100-250 km, that varies slowly with altitude from 2.0 ± 0.8 ppbv at 125 km, to 4.6 ± 1.5 ppbv at 200 km. The abundance of C{sub 3}H{sub 6} is less than both C{sub 3}H{sub 8} and CH{sub 3}C{sub 2}H, and we remark on an emerging paradigm in Titan's hydrocarbon abundances whereby alkanes > alkynes > alkenes within the C{sub 2}H {sub x} and C{sub 3}H {sub x} chemical families in the lower stratosphere. More generally, there appears to be much greater ubiquity and relative abundance of triple-bonded species than double-bonded, likely due to the greater resistance of triple bonds to photolysis and chemical attack.

  20. Mechanism of 1, 1-d2 propene oxidation over oxide catalysts

    International Nuclear Information System (INIS)

    Portefaix, J.L.; Figueras, F.; Forissier, M.

    1980-01-01

    CD 2 CHCH 3 was oxidized over bismuth molybdate, tin-antimony mixed oxides and supported molybdenum and vanadium oxide catalysts. The deuterium retention is high ( > 90%) in the recovered propene. Percentage retentions of deuterium in the acrolein agree with literature data when bismuth molybdate is used as catalyst. On Sb-Sn-O and supported Mo and V oxides, no isotope effect is noticed for the abstraction of the second hydrogen from the olefin. The slow step of the reaction may therefore be different for the oxidation of propene on Bi-Mo-O and Sb-Sn-O. The ethanal produced by oxidation of CD 2 CHCH 3 contains only minor amounts of deuterium, whatever the catalyst used. It is suggested that partial oxidation of propene to acrolein and C-C bond rupture are parallel reactions which involve different intermediates. Possible mechanisms adapted from organic chemistry are presented to explain these findings. 4 tables

  1. Electrochemical reduction of NO with propene in the presence of oxygen on LSCoM/CGO porous cell stacks impregnated with BaO

    DEFF Research Database (Denmark)

    Friedberg, Anja Zarah; Kammer Hansen, Kent

    2015-01-01

    of up to 30 % was achieved. In the presence of propene, the electrochemical promotion on the NOx conversion decreased and only 13 % was removed. A propene oxidation of 35 % was achieved as the highest at 400 °C. The propene acted as a reducing agent on the barium nitrates and caused a greater reduction...

  2. Radiation chemical oxidation of propen under the influence of UV- and gamma radiation

    International Nuclear Information System (INIS)

    Litschke, P.I.

    1978-01-01

    The oxidation of propen is studied in the liquid state under the influence of electromagnetic radiation using hydrogenperoxide, organic hydroperoxides and oxygen. In this investigation propen oxide is of main interest. The study of systems with oxygen is based on the concept that the formation of hydroperoxide from organic oxygen compounds is enhanced by irradiation, thus favouring an in situ method for expoxidation with hydroperoxides. The influence of UV-radiation from high and low pressure mercury discharge lamps and 60 Co gamma radiation has been studied as well as the effect of solvents and catalysers, which are resolved in the system. (orig./WBU) [de

  3. Copolymerization of propene and styrene using a zirconocene - methylaluminoxane initiator system

    International Nuclear Information System (INIS)

    Rabagliati, F.M.; Rodriguez, F.J.; Quijada, R.; Galland, G.B.

    2009-01-01

    The copolymerization of propene with styrene has been tested using the rac-Et(Ind) 2 ZrCl 2 -methylaluminoxane initiator system. The various proportion of styrene in initial feed showed an important effect on the polymerization activity. Low contents of styrene in the reaction produced a considerable fall in the activity. Respect to thermal behavior, it is noted that obtained propene/styrene copolymers showed Tm values slightly lower than the corresponding polypropene one. NMR spectroscopy allowed to confirm that the copolymer composition includes a very low incorporation of styrene in polypropylene chains. (author)

  4. Statistical data on butane and kerosene in West Africa

    International Nuclear Information System (INIS)

    Masse, R.

    1990-01-01

    This book gives statistical, technical and economical informations on butane and kerosene used in West Africa in 1990. In a first part, informations on gas and gas using are given: market, energy efficiency, performance, safety, distribution, storage, transport and commercialization. Statistical data on petroleum and natural gas production or consumption are also described. Natural gas and petroleum reserves in Africa are also studied. In the second part, thirty country entries give an economic analysis of each african country. 21 figs., 19 tabs., 5 maps

  5. 2,3-Bis[(3-methylbiphenyl-4-ylimino]butane

    Directory of Open Access Journals (Sweden)

    Jingjing Chen

    2014-04-01

    Full Text Available The title compound, C30H28N2, is a product of the condensation reaction of 2-methyl-4-phenylaniline and butane-2,3-dione. The molecule lies on a crystallographic inversion centre. The C=N bond has an E conformation. The dihedral angle between the two benzene rings of the 4-phenyl-2-methylphenyl group is 29.19 (76°. The 1,4-diazabutadiene plane makes an angle of 70.1 (10° with the N-bonded methylphenyl ring and an angle of 81.08 (97° with the terminal phenyl group.

  6. Biotreatment of ammonia and butanal containing waste gases

    OpenAIRE

    Weckhuysen, B.M.; Vriens, L.; Verachtert, H.

    1994-01-01

    Abstract The biological removal of ammonia and butanal in contaminated air was investigated by using, respectively, a laboratory-scale filter and a scrubber-filter combination. It was shown that ammonia can be removed with an elimination efficiency of 83% at a volumetric load of 100 m3·m–2·h–1 with 4–16 ppm of ammonia. During the experiment percolates were analysed for nitrate, nitrite, ammonium and pH. It was found that the nitrification in the biofilter could deteriorate due to an inhibitio...

  7. Cool diffusion flames of butane isomers activated by ozone in the counterflow

    KAUST Repository

    Alfazazi, Adamu; Al Omier, Abdullah Abdulaziz; Secco, Andrea; Selim, Hatem; Ju, Yiguang; Sarathy, Mani

    2018-01-01

    and sustenance of cool diffusion flames; as ozone-less cool diffusion flame of butane isomers could not be established even at high fuel mole fractions. The structure of a stable n-butane cool diffusion flame was qualitatively examined using a time of flight mass

  8. Physical properties of metallocenes propene-higher α-olefins copolymers

    International Nuclear Information System (INIS)

    Lovisi, Humberto; Santa Maria, Luiz Claudio de; Coutinho, Fernanda M.B.

    2001-01-01

    In this work, new copolymers of propene/1-hexene (PHC) and propene/1-octene (POC) were synthesized by using a highly iso specific metallocenes catalyst system based on rac-Me 2 Si(2-ethyl,4-phenyl,1-indenyl) 2 ZrCl 2 , in the homogeneous and heterogeneous forms, methylaluminoxane (MAO) activated. An investigation about the copolymerization of propene with 1-hexene and 1-octene using this catalyst system illustrates the potential for the tailoring of propene/higher α-olefin copolymers with controlled thermal and mechanical properties by varying the comonomer concentration in the polymerization feed. Both catalyst systems showed high activity and produced random copolymers with very low or no detectable crystallinity. It was observed that properties such as enthalpy of crystallization (ΔHc), crystallization temperature (Tc), melting temperature (Tm), glass transition temperature (Tg) and elastic modulus (E') decreased in a linear pattern with increasing comonomer content in the copolymer. The effect of the short chain branch length was also investigated and it was observed that, compared to 1-hexene, much less 1-octene was necessary to disrupt the crystalline structure and impart rubbery behaviour to the copolymers. (author)

  9. Stability and kinetic studies of supported ionic liquid phase catalysts for hydroformylation of propene

    DEFF Research Database (Denmark)

    Riisager, Anders; Fehrmann, Rasmus; Haumann, Marco

    2005-01-01

    Supported ionic liquid phase (SILP) catalysts have been studied with regard to their long-term stability in the continuous gas-phase hydroformylation of propene. Kinetic data have been acquired by variation of temperature, pressure, syngas composition, substrate concentration, and residence time...

  10. Propene Hydroformylation by Supported Aqueous-phase Rh-NORBOS Catalysts

    DEFF Research Database (Denmark)

    Riisager, Anders; Eriksen, Kim Michael; Hjortkjær, Jes

    2003-01-01

    The gas-phase hydroformylation reaction of propene using supported aqueous-phase (SAP) Rh-NORBOS modified catalysts in a continuous flow reactor has been examined. SAP catalysts supported on six different support materials were made by wet impregnation using solutions of the precursor complex Rh(...

  11. Mutagenic activity of halogenated propanes and propenes: effect of bromine and chlorine positioning.

    Science.gov (United States)

    Låg, M; Omichinski, J G; Dybing, E; Nelson, S D; Søderlund, E J

    1994-10-01

    A series of halogenated propanes and propenes were studied for mutagenic effects in Salmonella typhimurium TA100 in the absence or presence of NADPH plus liver microsomes from phenobarbital-induced rats as an exogenous metabolism system. The cytotoxic and mutagenic effects of the halogenated propane 1,2-dibromo-3-chloropropane (DBCP) has previously been studied in our laboratories. These studies showed that metabolic activation of DBCP was required to exert its detrimental effects. All of the trihalogenated propane analogues were mutagenic when the microsomal activation system was included. The highest mutagenic activity was obtained with 1,2,3-tribromopropane, with approximately 50-fold higher activity than the least mutagenic trihalogenated propane, 1,2,3-trichloropropane. The order of mutagenicity was as follows: 1,2,3-tribromopropane > or = 1,2-dibromo- 3-chloropropane > 1,3-dibromo-2-chloropropane > or = 1,3-dichloro-2-bromopropane > 1-bromo-2,3-dichloropropane > 1,2,3-trichloropropane. Compared to DBCP, the dihalogenated propanes were substantially less mutagenic. Only 1,2-dibromopropane was mutagenic and its mutagenic potential was approximately 1/30 of that of DBCP. In contrast to DBCP, 1,2-dibromopropane showed similar mutagenic activity with and without the addition of an activation system. The halogenated propenes 2,3-dibromopropene and 2-bromo-3-chloropropene were mutagenic to the bacteria both in the absence and presence of the activation system, whereas 2,3-dichloropropene did not show any mutagenic effect. The large differences in mutagenic potential between the various halogenated propanes and propenes are proposed to be due to the formation of different possible proximate and ultimate mutagenic metabolites resulting from the microsomal metabolism of the various halogenated propanes and propenes, and to differences in the rate of formation of the metabolites. Pathways are proposed for the formation of genotoxic metabolites of di- and trihalogenated

  12. Pyrolytic carbon coatings for nuclear fuels from commercial butane

    International Nuclear Information System (INIS)

    Abdelrazek, I.D.; Abdelhalim, A.S.

    1976-01-01

    Uranium dioxide and graphite semi-spherical particles (average diameter = 300 um) were coated with pyrolytic carbon at relatively low temperatures (800 to 1200 0 C). The spouting gas was a mixture of commercial butane and nitrogen. The hydrocarbon served as a source for carbon whereas nitrogenated as a diluent and a support for the bed. The total gas flow rate was 3.5 lit/min and the hydrocarbon content varied from 3 to 10%. Coating efficiencies ranging from 4 to 25 percent were obtained. The densities of the coatings varied from 1.25 g/cm 3 (which corresponds to coatings of laminar microstructures) and 1.82 g/cm 3 (which suggests the formation of isotropic coatings. Metallographic examination (using polarized light) of the pyrolytic carbon formed at the experimental conditions indicated the possibility of using the coatings for nuclear fuel applications

  13. Cool diffusion flames of butane isomers activated by ozone in the counterflow

    KAUST Repository

    Alfazazi, Adamu

    2018-02-02

    Ignition in low temperature combustion engines is governed by a coupling between low-temperature oxidation kinetics and diffusive transport. Therefore, a detailed understanding of the coupled effects of heat release, low-temperature oxidation chemistry, and molecular transport in cool flames is imperative to the advancement of new combustion concepts. This study provides an understanding of the low temperature cool flame behavior of butane isomers in the counterflow configuration through the addition of ozone. The initiation and extinction limits of butane isomers’ cool flames have been investigated under a variety of strain rates. Results revealed that, with ozone addition, establishment of butane cool diffusion flames was successful at low and moderate strain rates. iso-Butane has lower reactivity than n-butane, as shown by higher fuel mole fractions needed for cool flame initiation and lower extinction strain rate limits. Ozone addition showed a significant influence on the initiation and sustenance of cool diffusion flames; as ozone-less cool diffusion flame of butane isomers could not be established even at high fuel mole fractions. The structure of a stable n-butane cool diffusion flame was qualitatively examined using a time of flight mass spectrometer. Numerical simulations were performed using a detailed chemical kinetic model and molecular transport to simulate the extinction limits of the cool diffusion flames of the tested fuels. The model qualitatively captured experimental trends for both fuels and ozone levels, but over-predicted extinction limits of the flames. Reactions involving low-temperature species predominantly govern extinction limits of cool flames. The simulations were used to understand the effects of methyl branching on the behavior of n-butane and iso-butane cool diffusion flames.

  14. Bronsted acid-functionalized choline chloride-butane sultone for the ...

    Indian Academy of Sciences (India)

    M P PADMA PRIYA

    2018-03-21

    Mar 21, 2018 ... Choline chloride and 1,4-butane sultone were combined to obtain a sulphonic acid-functionalized ..... Knifton J F and Sanderson J R 1990 Method for produc- ... alkenes via the Knoevenagel condensation Tetrahedron. Lett.

  15. Selective conversion of butane into liquid hydrocarbon fuels on alkane metathesis catalysts

    KAUST Repository

    Szeto, Kaï Chung; Hardou, Lucie; Merle, Nicolas; Basset, Jean-Marie; Thivolle-Cazat, Jean; Papaioannou, Charalambos; Taoufik, Mostafa

    2012-01-01

    We report a selective direct conversion of n-butane into higher molecular weight alkanes (C 5+) by alkane metathesis reaction catalysed by silica-alumina supported tungsten or tantalum hydrides at moderate temperature and pressure. The product

  16. Numerical and Experimental Study on Negative Buoyance Induced Vortices in N-Butane Jet Flames

    KAUST Repository

    Xiong, Yuan; Cha, Min; Chung, Suk-Ho

    2015-01-01

    Near nozzle flow field in flickering n-butane diffusion jet flames was investigated with a special focus on transient flow patterns of negative buoyance induced vortices. The flow structures were obtained through Mie scattering imaging with seed

  17. First principles study of propene polymerization in Ziegler-Natta heterogeneous catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Boero, M.; Parrinello, M.; Hueffer, S.; Weiss, H.

    2000-01-26

    In this work the authors address the problem of isotacticity in a realistic heterogeneous Ziegler-Natta system by means of ab initio molecular dynamics. A previously identified 5-fold catalytic center was selected and examined for its ability to select the appropriate olefin enantioface in the chain growth process. The first steps in the propene polymerization process were studied to determine the energetics of the initial complexation phase for the different stereochemical orientations of the incoming propene. Then the authors analyze the subsequent insertions which represent the crucial issue for the formation of a stereospecific polymer chain, and find that the 5-fold catalytic center possesses a huge degree of stereoselectivity. The role of the agostic interaction was examined which can switch from {alpha} to {beta} and allow, even in the presence of a substrate, process that can lead to chain termination.

  18. Hydride Transfer versus Deprotonation Kinetics in the Isobutane–Propene Alkylation Reaction: A Computational Study

    OpenAIRE

    Liu, Chong; van Santen, Rutger A.; Poursaeidesfahani, Ali; Vlugt, Thijs J. H.; Pidko, Evgeny A.; Hensen, Emiel J. M.

    2017-01-01

    The alkylation of isobutane with light alkenes plays an essential role in modern petrochemical processes for the production of high-octane gasoline. In this study we have employed periodic DFT calculations combined with microkinetic simulations to investigate the complex reaction mechanism of isobutane–propene alkylation catalyzed by zeolitic solid acids. Particular emphasis was given to addressing the selectivity of the alkylate formation versus alkene formation, which requires a high rate o...

  19. Butane and kerosene in data. 26 economical, technical and practical charts

    International Nuclear Information System (INIS)

    Masse, R.

    1990-01-01

    Collecting available informations on the butane and kerosene connections in Western African sahelian countries, the aim of this report with its 26 dossiers is to present economical, technical and practical data concerning butane and kerosene present (1990) and potential consumption, utilization and prices, with the overall objective to reduce wood consumption for domestic use. Regional and national data are given and compared. Oil prices, production and consumption in Western Africa are also examined

  20. Chemical effects of low-energy electron impact on hydrocarbons in the gas phase. II. Propene

    International Nuclear Information System (INIS)

    Derai, R.; Danon, J.

    1977-01-01

    The chemical effects of low-energy (3.5 to 15.0 eV) electron impact on propene were investigated. The setup used for the irradiations has previously been described. Appearance curves for stable products were determined, from which correlations between products and precursors were deduced. In the excitation range, the main precursors are the triplet state at 4.4 eV and various singlet states around 7.0 and 9.0 eV. Above the ionization potential, contribution from superexcited molecules and ions was noted. Superexcited molecules are formed with a much higher cross section than excited molecules. A reaction scheme was proposed to account for the chemical effects associated with excited states and the yields of excited molecules in dissociating states were derived from experimental data. Results concerning the fragmentation of propene excited in singlet states conform to photolysis data. The following new results were obtained: the decomposition of propene excited in the triplet state at 4.4 eV involves mainly C--C bond rupture; the decomposition processes of superexcited and excited molecules are similar. A higher degree of fragmentation is observed in the case of superexcited molecules

  1. Exploring the Reaction Pathways of Bioglycerol Hydrodeoxygenation to Propene over Molybdena-Based Catalysts.

    Science.gov (United States)

    Zacharopoulou, Vasiliki; Vasiliadou, Efterpi S; Lemonidou, Angeliki A

    2018-01-10

    The one-step reaction of glycerol with hydrogen to form propene selectively is a particularly challenging catalytic pathway that has not yet been explored thoroughly. Molybdena-based catalysts are active and selective to C-O bond scission; propene is the only product in the gas phase under the standard reaction conditions, and further hydrogenation to propane is impeded. Within this context, this work focuses on the exploration of the reaction pathways and the investigation of various parameters that affect the catalytic performance, such as the role of hydrogen on the product distribution and the effect of the catalyst pretreatment step. Under a hydrogen atmosphere, propene is produced primarily via 2-propenol, whereas under an inert atmosphere propanal and glycerol dissociation products are formed mainly. The reaction most likely proceeds through a reverse Mars-van Krevelen mechanism as partially reduced Mo species drive the reaction to the formation of the desired product. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Alkylation of Methyl Linoleate with Propene in Ionic Liquids in the Presence of Metal Salts.

    Science.gov (United States)

    Pomelli, Christian Silvio; Ghilardi, Tiziana; Chiappe, Cinzia; de Angelis, Alberto Renato; Calemma, Vincenzo

    2015-12-07

    Vegetable oils and fatty acid esters are suitable precursor molecules for the production of a variety of bio-based products and materials, such as paints and coatings, plastics, soaps, lubricants, cosmetics, pharmaceuticals, printing inks, surfactants, and biofuels. Here, we report the possibility of using Lewis acidic ionic liquids (ILs) to obtain polyunsaturated ester dimerization-oligomerization and/or, in the presence of another terminal alkene (propene), co-polymerization. In particular, we have tested the Lewis acidic mixtures arising from the addition of a proper amount of GaCl₃ (Χ > 0.5) to two chloride-based (1-butyl-3-methylimidazolium chloride, [bmim]Cl, and 1-butylisoquinolium chloride, [BuIsoq]Cl) or by dissolution of a smaller amount of Al(Tf₂N)₃ (Χ = 0.1) in 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [bmim][Tf₂N]. On the basis of product distribution studies, [bmim][Tf₂N]/Al(Tf₂N)₃ appears the most suitable medium in which methyl linoleate alkylation with propene can compete with methyl linoleate or propene oligomerization.

  3. Alkylation of Methyl Linoleate with Propene in Ionic Liquids in the Presence of Metal Salts

    Directory of Open Access Journals (Sweden)

    Christian Silvio Pomelli

    2015-12-01

    Full Text Available Vegetable oils and fatty acid esters are suitable precursor molecules for the production of a variety of bio-based products and materials, such as paints and coatings, plastics, soaps, lubricants, cosmetics, pharmaceuticals, printing inks, surfactants, and biofuels. Here, we report the possibility of using Lewis acidic ionic liquids (ILs to obtain polyunsaturated ester dimerization-oligomerization and/or, in the presence of another terminal alkene (propene, co-polymerization. In particular, we have tested the Lewis acidic mixtures arising from the addition of a proper amount of GaCl3 (Χ > 0.5 to two chloride-based (1-butyl-3-methylimidazolium chloride, [bmim]Cl, and 1-butylisoquinolium chloride, [BuIsoq]Cl or by dissolution of a smaller amount of Al(Tf2N3 (Χ = 0.1 in 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonylimide, [bmim][Tf2N]. On the basis of product distribution studies, [bmim][Tf2N]/Al(Tf2N3 appears the most suitable medium in which methyl linoleate alkylation with propene can compete with methyl linoleate or propene oligomerization.

  4. Changes in Atmospheric Butanes and Pentanes and Their Isomeric Ratios in the Continental United States

    Science.gov (United States)

    Rossabi, Sam; Helmig, Detlev

    2018-04-01

    Nonmethane hydrocarbons have been used as tracers in research on emissions and atmospheric oxidation chemistry. This research investigates source region mixing ratio trends of the nonmethane hydrocarbons i-butane, n-butane, i-pentane, and n-pentane, and the (i/n) isomeric ratios of these compounds between 2001 and 2015. Data collected at Photochemical Assessment Monitoring Stations, mandated by the U.S. Environmental Protection Agency in ozone nonattainment areas, and data collected at Global Greenhouse Gas Reference Network sites within the National Oceanic and Atmospheric Administration network, and analyzed at the Institute of Arctic and Alpine Research at the University of Colorado-Boulder, were examined. Among all considered species, linear regression analyses on concentration time series had negative slopes at 81% of sites, indicating predominantly declining butane and pentane atmospheric concentrations. Mostly negative slopes (78% of sites) were found for the (i/n) butane and pentane isomeric ratios, including all six and seven statistically significant (i/n) butane and pentane trends, respectively. Over the 15 year investigation period and averaged over all sites, total relative changes were 30 and 45% for the (i/n) ratios of butanes and pentanes, respectively, with a relative increase in the prominence of the n-isomers. Most likely causes include changing isomeric ratios in gasoline sector emissions, and increasing influence of oil and natural gas industry emissions. Changes in concentrations and isomeric ratios depend on proximity of contributing emission sources to measurement sites.

  5. Development of manufacturing of low dew-point mixed gas of butane-air

    Energy Technology Data Exchange (ETDEWEB)

    Komine, Hitoshi

    1988-09-10

    A dehumidifying plant was installed to supply high-quality dehumidified butane-air mixed gas aiming at saving the heat required for vaporizing liquid butane by the heat exchange with the potential heat of air as well as the dehumidification of the air used for the mixed gas by cooling with the vaporizing latent heat of liquid butane. The plant has been smoothly operated since August, 1987. Butane sent from the air-dehumidifier is completely vaporized by hot water in the vaporizer and the vaporized butane ejected by the Venturi mixer to mix with the dehumidified air. The gas production capacity is 3000Nm/sup 3//h and the treating capacities of butane and air are 661 and 2339 Nm/sup 3//h, respectively. The dew point of the mixed gas is 18/sup 0/C under 0.7kg/cm/sup 2/G at atmospheric temperature of 38/sup 0/C subject to the operation of the plant only in hot and humid summer. It was demonstrated that the plant is characterized by low construction and operating costs, low level of noise and stable heat value of the product gas. (5 figs, 4 tabs, 1 photo)

  6. MTBE, the evolution of a commodity and its impact on US butanes

    International Nuclear Information System (INIS)

    Whitley, S.C.

    1994-01-01

    Since 1990, members of the gas processing and natural gas liquids communities have watched with eager anticipation the growth and development of methyl tertiary butyl ether. MTBE, as it is more commonly known, is a motor fuel oxygenate and octane enhancer. Not too long ago there were several butane-based MTBE plants in the engineering or construction phase and many more were on the drawing board. At one time the demand outlook for butanes that could potentially be consumed by existing and planned butane-based MTBE facilities exceeded 150,000 b/d. That outlook has been downgraded substantially over the past two years as technical and economic factors forced several companies to scrap their plans for worldscale butane-based MTBE plants. A look at the evolution of MTBE as a commodity may explain what has happened, and why demand for butanes by this market sector is no longer as promising as it was only two short years ago. This paper reviews first the impact that government regulations and legislation played in creating the need for MTBE. This will be followed by a discussion of how subsequent proposals and legislation have led to downward revisions in the US outlook for MTBE and butanes

  7. Effective Subcritical Butane Extraction of Bifenthrin Residue in Black Tea

    Directory of Open Access Journals (Sweden)

    Yating Zhang

    2017-03-01

    Full Text Available As a natural and healthy beverage, tea is widely enjoyed; however, the pesticide residues in tea leaves affect the quality and food safety. To develop a highly selective and efficient method for the facile removal of pesticide residues, the subcritical butane extraction (SBE technique was employed, and three variables involving temperature, time and extraction cycles were studied. The optimum SBE conditions were found to be as follows: extraction temperature 45 °C, extraction time 30 min, number of extraction cycles 1, and in such a condition that the extraction efficiency reached as high as 92%. Further, the catechins, theanine, caffeine and aroma components, which determine the quality of the tea, fluctuated after SBE treatment. Compared with the uncrushed leaves, pesticide residues can more easily be removed from crushed leaves, and the practical extraction efficiency was 97%. These results indicate that SBE is a useful method to efficiently remove the bifenthrin, and as appearance is not relevant in the production process, tea leaves should first be crushed and then extracted in order that residual pesticides are thoroughly removed.

  8. Effective Subcritical Butane Extraction of Bifenthrin Residue in Black Tea.

    Science.gov (United States)

    Zhang, Yating; Gu, Lingbiao; Wang, Fei; Kong, Lingjun; Qin, Guangyong

    2017-03-30

    As a natural and healthy beverage, tea is widely enjoyed; however, the pesticide residues in tea leaves affect the quality and food safety. To develop a highly selective and efficient method for the facile removal of pesticide residues, the subcritical butane extraction (SBE) technique was employed, and three variables involving temperature, time and extraction cycles were studied. The optimum SBE conditions were found to be as follows: extraction temperature 45 °C, extraction time 30 min, number of extraction cycles 1, and in such a condition that the extraction efficiency reached as high as 92%. Further, the catechins, theanine, caffeine and aroma components, which determine the quality of the tea, fluctuated after SBE treatment. Compared with the uncrushed leaves, pesticide residues can more easily be removed from crushed leaves, and the practical extraction efficiency was 97%. These results indicate that SBE is a useful method to efficiently remove the bifenthrin, and as appearance is not relevant in the production process, tea leaves should first be crushed and then extracted in order that residual pesticides are thoroughly removed.

  9. Combustion Characteristics of Butane Porous Burner for Thermoelectric Power Generation

    Directory of Open Access Journals (Sweden)

    K. F. Mustafa

    2015-01-01

    Full Text Available The present study explores the utilization of a porous burner for thermoelectric power generation. The porous burner was tested with butane gas using two sets of configurations: single layer porcelain and a stacked-up double layer alumina and porcelain. Six PbSnTe thermoelectric (TE modules with a total area of 54 cm2 were attached to the wall of the burner. Fins were also added to the cold side of the TE modules. Fuel-air equivalence ratio was varied between the blowoff and flashback limit and the corresponding temperature, current-voltage, and emissions were recorded. The stacked-up double layer negatively affected the combustion efficiency at an equivalence ratio of 0.20 to 0.42, but single layer porcelain shows diminishing trend in the equivalence ratio of 0.60 to 0.90. The surface temperature of a stacked-up porous media is considerably higher than the single layer. Carbon monoxide emission is independent for both porous media configurations, but moderate reduction was recorded for single layer porcelain at lean fuel-air equivalence ratio. Nitrogen oxides is insensitive in the lean fuel-air equivalence ratio for both configurations, even though slight reduction was observed in the rich region for single layer porcelain. Power output was found to be highly dependent on the temperature gradient.

  10. The 'Salting Out' Effect: Investigating the Influence of Both the Nature and Concentration of Salt on the Partition Coefficient of Butan-1,4-Dioic Acid

    Science.gov (United States)

    McCullagh, John

    2018-01-01

    This sixth-form chemistry activity describes how students can use acid-base titrimetry to investigate how adding salt to the aqueous phase may change the value of the partition coefficient of an organic acid between water and 2-methylpropan-1-ol. While the presence of lithium chloride and sodium chloride increases the value of the partition…

  11. Extraction of butan-1-ol from water with ionic liquids at T = 308.15 K

    International Nuclear Information System (INIS)

    Domańska, Urszula; Królikowski, Marek

    2012-01-01

    Highlights: ► The LLE ternary phase diagrams with ionic liquids were measured. ► Separation of butan-1-ol/water system with tetracyanoborate-based ILs. ► Low solubility of water in [P 14,6,6,6 ][TCB] was observed. ► [P 14,6,6,6 ][TCB] is proposed for possible use in separation of butan-1-ol from aqueous phase. - Abstract: Ionic liquids (ILs) are novel green solvents that can be proposed for removing butan-1-ol from the aqueous fermentation media. Ternary (liquid + liquid) equilibrium data are presented for {ionic liquid (1) + butan-1-ol (2) + water (3)} at T = 308.15 K and ambient pressure to analyze the performance of the ionic liquid (IL) in the extraction of butan-1-ol from aqueous phase. The tetracyanoborate-based ILs have been studied: 1-hexyl-3-methylimidazolium tetracyanoborate, ([HMIM][TCB]), 1-decyl-3-methylimidazolium tetracyanoborate, ([DMIM][TCB]) and trihexyltetradecylphosphonium tetracyanoborate, ([P 14,6,6,6 ][TCB]). The results are discussed in terms of the selectivity and distribution ratio of separation of related systems. The complete miscibility in the binary liquid systems of butan-1-ol with all used ILs was observed. The imidazolium cation in comparison with phosphonium cation shows lower selectivity and distribution ratio. The IL with the longer alkyl chain at the cation shows higher selectivity and distribution ratio in this process. The non-random two liquid NRTL model was used successfully to correlate the experimental tie-lines and to calculate the phase composition error in mole fraction in the ternary systems. The average root mean square deviation (RMSD) of the phase composition was 0.0027. The data presented here indicates the usefulness of [P 14,6,6,6 ][TCB] as a solvent for the separation of butan-1-ol from water using solvent extraction. The density of [P 14,6,6,6 ][TCB] was measured as a function of temperature.

  12. Detection of butane gas inhalation at 16days after hypoxic encephalopathy: A case report.

    Science.gov (United States)

    Sato, Takako; Nishioka, Hiroshi; Tsuboi, Kento; Katagi, Munehiro; Miki, Akihiro; Saito, Takashi; Abe, Shuntaro; Nomura, Masakatsu; Kitagawa, Misa; Tsuchihashi, Hitoshi; Suzuki, Koichi

    2017-11-01

    In Japan, there are increasing reports of death by poisoning following butane abuse. To determine the specific cause of death in such cases, it is important to confirm the presence of fuel gas components in the body, although careful analysis is required because of their volatile properties. In most reported cases, the subject died suddenly during or immediately after butane aspiration. Thus, the butane concentration in the samples from the deceased should be relatively high. Herein, we present a case of an 18-year-old man found with cardiopulmonary arrest, who then exhibited hypoxic encephalopathy for 16days in a hospital. At autopsy, we detected hypoxic encephalopathy, pneumonia, and ischemia-reperfusion injury of the myocardium, while the cause of cardiac arrest remained unclear. Toxicological analysis was then performed for fuel gas components in several specimens collected at autopsy. Results showed that n-butane and isobutane were detected in the adipose tissue at 16days after inhalation, indicating a role of butane gas inhalation as the cause of death. These data suggest that adipose tissue may be the most appropriate analysis sample to be collected at postmortem in cases where involvement of volatile and fat-soluble gas inhalation is suspected. Copyright © 2017 Elsevier B.V. All rights reserved.

  13. Physico-chemical properties of zirconium phosphates. II. Kinetic of isopropanol dehydration to propene

    International Nuclear Information System (INIS)

    Hamzaoui, H.; Batis, H.

    1992-01-01

    Zirconium Phosphates are active and selective in the dehydration of isopropanol reaction to propene. Catalytic activity is dependent of solid crystallinity. Sample which is crystallized in Zr(HPO 4 ) 2 phase, is active, while crystallized in Zr(HPO 4 ) 2 +ZrP 2 O 7 shows the lowest catalytic activity of the three catalysts studied, the greatest values of the activation energy and of the adsorption heat of isopropanol. The condensation of P-OH groups into P-O-P leads to a decrease in catalytic activity as well as total acidity measured by NH 4 + exchange. This decrease is more important as the solid is initially less crystallized

  14. Easy to use plastic optical fiber-based biosensor for detection of butanal.

    Directory of Open Access Journals (Sweden)

    Nunzio Cennamo

    Full Text Available The final goal of this work is to achieve a selective detection of butanal by the realization of a simple, small-size and low cost experimental approach. To this end, a porcine odorant-binding protein was used in connection with surface plasmon resonance transduction in a plastic optical fiber tool for the selective detection of butanal by a competitive assay. This allows to reduce the cost and the size of the sensing device and it offers the possibility to design a "Lab-on-a-chip" platform. The obtained results showed that this system approach is able to selectively detect the presence of butanal in the concentration range from 20 μM to 1000 μM.

  15. Oxidative Dehydrogenation of n-​Butane: Activity and Kinetics Over VOx​/Al2O3 Catalysts

    NARCIS (Netherlands)

    Madaan, N.; Haufe, R.; Shiju, N.R.; Rothenberg, G.

    2014-01-01

    The catalytic activity of a VOx/Al2O3 catalyst for the oxidative dehydrogenation of n-​butane is investigated. The effects of reaction temp., oxygen to n-​butane ratio and GHSV on the catalytic performance are examd. and optimized. Interestingly, this simple catalyst gives good conversion and

  16. Ethene, propene, butene and isoprene emissions from a ponderosa pine forest measured by relaxed eddy accumulation

    Science.gov (United States)

    Rhew, Robert C.; Deventer, Malte Julian; Turnipseed, Andrew A.; Warneke, Carsten; Ortega, John; Shen, Steve; Martinez, Luis; Koss, Abigail; Lerner, Brian M.; Gilman, Jessica B.; Smith, James N.; Guenther, Alex B.; de Gouw, Joost A.

    2017-11-01

    Alkenes are reactive hydrocarbons that influence local and regional atmospheric chemistry by playing important roles in the photochemical production of tropospheric ozone and in the formation of secondary organic aerosols. The simplest alkene, ethene (ethylene), is a major plant hormone and ripening agent for agricultural commodities. The group of light alkenes (C2-C4) originates from both biogenic and anthropogenic sources, but their biogenic sources are poorly characterized, with limited field-based flux observations. Here we report net ecosystem fluxes of light alkenes and isoprene from a semiarid ponderosa pine forest in the Rocky Mountains of Colorado, USA using the relaxed eddy accumulation (REA) technique during the summer of 2014. Ethene, propene, butene and isoprene emissions have strong diurnal cycles, with median daytime fluxes of 123, 95, 39 and 17 µg m-2 h-1, respectively. The fluxes were correlated with each other, followed general ecosystem trends of CO2 and water vapor, and showed similar sunlight and temperature response curves as other biogenic VOCs. The May through October flux, based on measurements and modeling, averaged 62, 52, 24 and 18 µg m-2 h-1 for ethene, propene, butene and isoprene, respectively. The light alkenes contribute significantly to the overall biogenic source of reactive hydrocarbons: roughly 18 % of the dominant biogenic VOC, 2-methyl-3-buten-2-ol. The measured ecosystem scale fluxes are 40-80 % larger than estimates used for global emissions models for this type of ecosystem.

  17. Direct Production of Propene from the Thermolysis of Poly(..beta..-hydroxybutyrate)

    Energy Technology Data Exchange (ETDEWEB)

    Mittal, Ashutosh; Pilath, Heidi M.; Johnson, David K.

    2015-03-22

    To transform biomass components into hydrocarbon fuels it is clear that there are two main transformations that need to occur, i.e., deoxygenation and carbon chain extension. The potential routes for decreasing the oxygen content of biomass intermediates include dehydration, hydrodeoxygenation and decarboxylation. One route that is examined here is the conversion of polyhydroxyalkanoates (PHA) to alkenes that would be intermediates to hydrocarbon fuels.Thermal breakdown of PHA proceeds via an intermediate carboxylic acid, which can then be decarboxylated to an alkene. Oligomerization of alkenes by well-known commercial technologies would permit production of a range of hydrocarbon fuels from a carbohydrate derived intermediate. Moreover, polyhydroxybutyrate (PHB) can be produced in Cupriavidus necator (formerly known as Ralstonia eutropha) and Alcaligenes eutrophus on a variety of carbon sources including glucose, fructose and glycerol with PHB accumulation reaching 75 percent of dry cell mass. We conducted thermal conversion of PHB and pure crotonic acid (CA), the intermediate carboxylic acid produced by thermal depolymerization of PHB, in a flow-through reactor. The results of initial experiments on the thermal conversion of CA showed that up to 75 mole percent yields of propene could be achieved by optimizing the residence time and temperature of the reactor. Further experiments are being investigated to optimize the reactor parameters and enhance propene yields via thermal conversion of PHB.

  18. Hydride Transfer versus Deprotonation Kinetics in the Isobutane–Propene Alkylation Reaction: A Computational Study

    Science.gov (United States)

    2017-01-01

    The alkylation of isobutane with light alkenes plays an essential role in modern petrochemical processes for the production of high-octane gasoline. In this study we have employed periodic DFT calculations combined with microkinetic simulations to investigate the complex reaction mechanism of isobutane–propene alkylation catalyzed by zeolitic solid acids. Particular emphasis was given to addressing the selectivity of the alkylate formation versus alkene formation, which requires a high rate of hydride transfer in comparison to the competitive oligomerization and deprotonation reactions resulting in catalyst deactivation. Our calculations reveal that hydride transfer from isobutane to a carbenium ion occurs via a concerted C–C bond formation between a tert-butyl fragment and an additional olefin, or via deprotonation of the tert-butyl fragment to generate isobutene. A combination of high isobutane concentration and low propene concentration at the reaction center favor the selective alkylation. The key reaction step that has to be suppressed to increase the catalyst lifetime is the deprotonation of carbenium intermediates that are part of the hydride transfer reaction cycle. PMID:29226012

  19. Hydride Transfer versus Deprotonation Kinetics in the Isobutane-Propene Alkylation Reaction: A Computational Study.

    Science.gov (United States)

    Liu, Chong; van Santen, Rutger A; Poursaeidesfahani, Ali; Vlugt, Thijs J H; Pidko, Evgeny A; Hensen, Emiel J M

    2017-12-01

    The alkylation of isobutane with light alkenes plays an essential role in modern petrochemical processes for the production of high-octane gasoline. In this study we have employed periodic DFT calculations combined with microkinetic simulations to investigate the complex reaction mechanism of isobutane-propene alkylation catalyzed by zeolitic solid acids. Particular emphasis was given to addressing the selectivity of the alkylate formation versus alkene formation, which requires a high rate of hydride transfer in comparison to the competitive oligomerization and deprotonation reactions resulting in catalyst deactivation. Our calculations reveal that hydride transfer from isobutane to a carbenium ion occurs via a concerted C-C bond formation between a tert -butyl fragment and an additional olefin, or via deprotonation of the tert -butyl fragment to generate isobutene. A combination of high isobutane concentration and low propene concentration at the reaction center favor the selective alkylation. The key reaction step that has to be suppressed to increase the catalyst lifetime is the deprotonation of carbenium intermediates that are part of the hydride transfer reaction cycle.

  20. Propene concentration sensing for combustion gases using quantum-cascade laser absorption near 11 μm

    KAUST Repository

    Chrystie, Robin; Nasir, Ehson Fawad; Farooq, Aamir

    2015-01-01

    shock wave exhibit trends similar to that predicted by the well-established JetSurF 1.0 chemical kinetic mechanism, albeit lower by a factor of two. Such a laser diagnostic is a first step to experimentally determining propene in real time

  1. Polymerization of propene with modified constrained geometry complexes. Double-bond isomerization in pendant alkenyl groups attached to cyclopentadienyl ligands

    NARCIS (Netherlands)

    Staal, OKB; Beetstra, DJ; Jekel, AP; Hessen, B; Teuben, JH; Stepnicka, P; Gyepes, R; Horacek, M; Pinkas, J; Mach, K; Beetstra, Dirk J.; Štěpnička, Petr; Horáček, Michal; Štepnicka, P.

    2003-01-01

    Polymerization of propene with dimethylsilylene-bridged (amidocyclopentadienyl) dichlorotitanium( IV) complexes [TiCl2 {eta(5)-1-(t-BuSiMe2N-kappaN)- 2,3,4- Me-3 -5- R-C-5}], where R =Me (1), H (2), Ph (3), 4-fluorophenyl (4), but-2-en-2-yl (5), and butyl (6), combined with excess methylaluminoxane

  2. Isotope labelling study of CO oxidation-assisted epoxidation of propene. Implications for oxygen activation on Au catalysts.

    Science.gov (United States)

    Jiang, Jian; Oxford, Sean M; Fu, Baosong; Kung, Mayfair C; Kung, Harold H; Ma, Jiantai

    2010-06-07

    (18)O isotope labelling studies of the CO oxidation-assisted epoxidation of propene, catalyzed by a mixture of Au/TiO(2) and TS-1, using a methanol-H(2)O solvent showed the O in the epoxide was exclusively from O(2) and not H(2)O or methanol.

  3. DNA degradation by bleomycin: evidence for 2'R-proton abstraction and for C-O bond cleavage accompanying base propenal formation

    International Nuclear Information System (INIS)

    Ajmera, S.; Wu, J.C.; Worth, L. Jr.; Rabow, L.E.; Stubbe, J.; Kozarich, J.W.

    1986-01-01

    Reaction of poly(dA-[2'S- 3 H]dU) with activated bleomycin yields [ 3 H] uracil propenal that completely retains the tritium label. In contrast, the authors have previously shown that reaction of poly(dA-[2'R- 3 H]dU) with activated bleomycin affords unlabeled uracil propenal. They have also prepared both cis- and trans-thymine propenals by chemical synthesis and have observed that the trans isomer is the exclusive product of the bleomycin reaction. Moreover, the cis isomer was found to be stable to the conditions of bleomycin-induced DNA degradation. Taken together, these results establish that the formation of trans-uracil propenal occurs via an anti-elimination mechanism with the stereospecific abstraction of the 2R proton. The question of phosphodiester bond cleavage during base propenal formation has also been addressed by the analysis of the fate of oxygen-18 in poly(dA-[3'- 18 O]dT) upon reaction with activated bleomycin. The 5'-monophosphate oligonucleotide ends produced from thymine propenal formation have been converted to inorganic phosphate by the action of alkaline phosphatase, and the phosphate has been analyzed for 18 O content by 31 P NMR spectroscopy. The oxygen-18 is retained in the inorganic phosphate, establishing that the formation of thymine propenal by activated bleomycin proceeds with C-O bond cleavage at the 3-position

  4. Improving the stability of H-mordenite for n-butane isomerization

    NARCIS (Netherlands)

    Asuquo, R.A.; Asuquo, R.A.; Mirth, G.C.; Mirth, G.C.; Seshan, Kulathuiyer; Pieterse, J.A.Z.; Lercher, J.A.

    1997-01-01

    The conversion ofn-butane over mordenite-based catalysts in the presence of hydrogen and water was investigated for reaction temperatures between 523 and 623 K. Special attention was given to the influence of Pt upon catalytic activity, selectivity, and stability. With parent mordenite the catalytic

  5. Equilibrium studies on butane-1,4-diamine extraction with 4-nonylphenol

    NARCIS (Netherlands)

    Krzyzaniak, Agnieszka; Tansaz, Ashkan; Schuur, Boelo; de Haan, André B.

    2014-01-01

    BACKGROUND: The extraction of butane-1,4-diamine (BDA) from aqueous solutions with undiluted 4-nonylphenol (4NP) has been studied at three temperatures (298 K, 310 K and 323 K) in a batch system. A reactive extraction model based on mass action law was applied to describe the experimental data.

  6. Mechanism of n-butane hydrogenolysis promoted by Ta-hydrides supported on silica

    KAUST Repository

    Pasha, Farhan Ahmad; Cavallo, Luigi; Basset, Jean-Marie

    2014-01-01

    (III)H is rapidly trapped by molecular hydrogen to form the more stable tris-hydride (≡ Si-O-) 2Ta(V)H3. Loading of n-butane to the Ta-center occurs through C-H activation concerted with elimination of molecular hydrogen (σ-bond metathesis). Once the Ta

  7. Thermodynamic analysis of steam reforming and oxidative steam reforming of propane and butane for hydrogen production

    DEFF Research Database (Denmark)

    Cui, Xiaoti; Kær, Søren Knudsen

    2018-01-01

    /C) of 0.5–5 and O2/HC (hydrocarbon) ratio of 0–2.4. The simulations for the cracking and POX processes showed that olefins and acetylene can be easily generated through the cracking reactions and can be removed by adding an appropriate amount of oxygen. For SR and OSR of propane and butane, predicted...

  8. Structure-activity correlations for TON, FER and MOR in the hydroisomerization of n-butane

    NARCIS (Netherlands)

    Pieterse, J.A.Z.; Seshan, Kulathuiyer; Lercher, J.A.

    2000-01-01

    n-Butane hydroconversion was studied over (Pt-loaded) molecular sieves with TON, FER, and MOR morphology. The conversion occurs via a complex interplay of mono- and bimolecular bifunctional acid mechanism and monofunctional platinum-catalyzed hydrogenolysis. Hydroisomerization occurs bimolecularly

  9. Hydrogen/Denterium exchange during n.butane conversion on H-ZSM-5

    NARCIS (Netherlands)

    Narbeshuber, T.; Narbeshuber, Thomas F.; Stockenhuber, Michael; Brait, Axel; Brait, A.; Seshan, Kulathuiyer; Lercher, J.A.

    1996-01-01

    Steady-state isotope tracer studies and isotope transient response experiments ofn-butane conversion on H-ZSM-5 (Si/Al = 35) were carried out between 673 and 823 K. Among the three main reactions, the rate of H/D-exchange is at least one order of magnitude higher compared to the rates of cracking or

  10. Selective conversion of butane into liquid hydrocarbon fuels on alkane metathesis catalysts

    KAUST Repository

    Szeto, Kaï Chung

    2012-01-01

    We report a selective direct conversion of n-butane into higher molecular weight alkanes (C 5+) by alkane metathesis reaction catalysed by silica-alumina supported tungsten or tantalum hydrides at moderate temperature and pressure. The product is unprecedented, asymmetrically distributed towards heavier alkanes. This journal is © 2012 The Royal Society of Chemistry.

  11. An experimental and modeling study of propene oxidation. Part 2: Ignition delay time and flame speed measurements

    KAUST Repository

    Burke, Sinéad M.

    2015-02-01

    Experimental data obtained in this study (Part II) complement the speciation data presented in Part I, but also offer a basis for extensive facility cross-comparisons for both experimental ignition delay time (IDT) and laminar flame speed (LFS) observables. To improve our understanding of the ignition characteristics of propene, a series of IDT experiments were performed in six different shock tubes and two rapid compression machines (RCMs) under conditions not previously studied. This work is the first of its kind to directly compare ignition in several different shock tubes over a wide range of conditions. For common nominal reaction conditions among these facilities, cross-comparison of shock tube IDTs suggests 20-30% reproducibility (2σ) for the IDT observable. The combination of shock tube and RCM data greatly expands the data available for validation of propene oxidation models to higher pressures (2-40. atm) and lower temperatures (750-1750. K).Propene flames were studied at pressures from 1 to 20. atm and unburned gas temperatures of 295-398. K for a range of equivalence ratios and dilutions in different facilities. The present propene-air LFS results at 1. atm were also compared to LFS measurements from the literature. With respect to initial reaction conditions, the present experimental LFS cross-comparison is not as comprehensive as the IDT comparison; however, it still suggests reproducibility limits for the LFS observable. For the LFS results, there was agreement between certain data sets and for certain equivalence ratios (mostly in the lean region), but the remaining discrepancies highlight the need to reduce uncertainties in laminar flame speed experiments amongst different groups and different methods. Moreover, this is the first study to investigate the burning rate characteristics of propene at elevated pressures (>5. atm).IDT and LFS measurements are compared to predictions of the chemical kinetic mechanism presented in Part I and good

  12. An experimental and modeling study of propene oxidation. Part 2: Ignition delay time and flame speed measurements

    KAUST Repository

    Burke, Siné ad M.; Burke, Ultan; Mc Donagh, Reuben; Mathieu, Olivier; Osorio, Irmis; Keesee, Charles L.; Morones, Aní bal; Petersen, Eric L.; Wang, Weijing; DeVerter, Trent A.; Oehlschlaeger, Matthew A.; Rhodes, Brandie; Hanson, Ronald K.; Davidson, David F.; Weber, Bryan W.; Sung, Chihjen; Santner, Jeffrey S.; Ju, Yiguang; Haas, Francis M.; Dryer, Frederick L.; Volkov, Evgeniy N.; Nilsson, Elna J K; Konnov, Alexander A.; Alrefae, Majed; Khaled, Fathi; Farooq, Aamir; Dirrenberger, Patricia; Glaude, Pierre Alexandre; Battin-Leclerc, F.; Curran, Henry J.

    2015-01-01

    Experimental data obtained in this study (Part II) complement the speciation data presented in Part I, but also offer a basis for extensive facility cross-comparisons for both experimental ignition delay time (IDT) and laminar flame speed (LFS) observables. To improve our understanding of the ignition characteristics of propene, a series of IDT experiments were performed in six different shock tubes and two rapid compression machines (RCMs) under conditions not previously studied. This work is the first of its kind to directly compare ignition in several different shock tubes over a wide range of conditions. For common nominal reaction conditions among these facilities, cross-comparison of shock tube IDTs suggests 20-30% reproducibility (2σ) for the IDT observable. The combination of shock tube and RCM data greatly expands the data available for validation of propene oxidation models to higher pressures (2-40. atm) and lower temperatures (750-1750. K).Propene flames were studied at pressures from 1 to 20. atm and unburned gas temperatures of 295-398. K for a range of equivalence ratios and dilutions in different facilities. The present propene-air LFS results at 1. atm were also compared to LFS measurements from the literature. With respect to initial reaction conditions, the present experimental LFS cross-comparison is not as comprehensive as the IDT comparison; however, it still suggests reproducibility limits for the LFS observable. For the LFS results, there was agreement between certain data sets and for certain equivalence ratios (mostly in the lean region), but the remaining discrepancies highlight the need to reduce uncertainties in laminar flame speed experiments amongst different groups and different methods. Moreover, this is the first study to investigate the burning rate characteristics of propene at elevated pressures (>5. atm).IDT and LFS measurements are compared to predictions of the chemical kinetic mechanism presented in Part I and good

  13. Risk from transportation and handling of butane; Etude de cas: jusqu`ou quantifier les risques lies aux facteurs humains ? Application au transport routier

    Energy Technology Data Exchange (ETDEWEB)

    Rao, B.; Celier, J.

    1997-12-31

    This paper presents the results and recommendations derived from a detailed assessment of a butane supply and butane transportation system. Based on a hazard and operability (HAZOP) study performed earlier, the need to undertake a more detailed assessment of the risks associated with the handling and transport of butane for the maleic anhydride (MAN) unit at a site was identified in order to ensure that all reasonable risk mitigation actions had been evaluated. Therefore, PLG initiated this study to quantify the likelihood and consequences of butane releases. The scope of the risk assessment includes all operations and activities with the handling and transport of butane, including: loading of butane trucks at the butane loading terminal; transport of butane by tank truck from the loading terminal to the plant site; unloading of the butane into the MAN unit storage sphere. Risks were quantified in terms of the likelihood of butane releases that could leas to a fire (pool or vapor cloud), an unconfined vapor cloud explosion (UVCE), or a boiling expanding vapor explosion (BLEVE), and the consequences of such releases in terms of the potential impact on both plant workers and the general public who live or work near the butane loading terminal, the transport route, or the plant site. (author)

  14. The catalytic activity of several tungsten oxides for the oxidation of propene

    International Nuclear Information System (INIS)

    De Rossi, S.; Schiavello, M.; Rome Univ.; Iguchi, E.; Tilley, R.J.D.

    1976-01-01

    A study has been made of the catalytic oxidation of propene over the oxides WO 3 , WOsub(2,95), WOsub(2,90), WOsub(2,72) and Wo 2 , which were selected because they possess specific features of chemical and structural interest rather than for their catalytic ability. It was found that the oxides WOsub(2,95), WOsub(2,90) and WOsub(2,72) all selectively produce acrolein in small amounts. The oxides WO 3 and WO 2 were non-selective and rather inactive. The results are discussed in terms of a mechanism involving both variable valence in the crystal and the specific structural geometry of these compounds. (orig.) [de

  15. Preparation, characterization and catalytic activity of uranium-antimony oxide for selective oxidation of propene

    Energy Technology Data Exchange (ETDEWEB)

    Baussart, H.; Delobel, R.; Le Bras, M.; Le Maguer, D.; Leroy, J.M. (Ecole Nationale Superieure de Chimie de Lille, 59 (France). Lab. de Catalyse et Physico-Chimie des Solides)

    1982-02-01

    The selective oxidation of propene to acrolein over USb/sub 3/O/sub 10/ was studied in a continuous flow reactor. The experimental results show that the preparation of a well-defined catalyst of uniform composition depends on the temperature and time of calcination. The kinetic data indicate that acrolein is formed via a redox mechanism in which the surface of the catalyst is partially reduced. Moessbauer spectroscopy reveals the presence of Sb/sup 5 +/ and Sb/sup 3 +/ in the used catalyst. I.r. spectroscopy shows a structural modification. On the basis of these results it is concluded that each steady-state condition is characterized by a vacancy concentration leading to the observed modifications of the catalyst.

  16. 2-propen-1-amine derivatives and their synthetic intermediates: activity against pathogenic trypanosomatids.

    Science.gov (United States)

    de Souza, A O; Hemerly, F P; Gomes-Cardoso, L; Santa-Rita, R M; Leon, L L; de Castro, S L; Durán, N

    2004-12-01

    The potential activity of three new derivatives of 3-(4'-Y-[1,1'-biphenyl]-4-yl)-3-(4-X-phenyl)-N,N-dimethyl-2-propen-1-amine (2-PAMs) was assayed against Trypanosoma cruzi and Leishmania amazonensis. They showed higher activity against trypomastigotes and epimastigotes of T. cruzi than the standard drugs, crystal violet and nifurtimox. Besides these derivatives, a series of eleven 2-PAMs derivatives and the corresponding intermediates, biphenyl methanones (BPMs) were assayed against promastigotes of L. amazonensis, showing that the 2-PAMs were remarkably more active than the BPMs. The PAMs 2c, 2e and 2j were about 2-fold more active that pentamidine isothionate and between 27.2- and 46.4-fold less toxic to V79 mammalian cells. The present results encourage further studies, especially against intracellular parasites and in experimental animals.

  17. Assessment of propane/commercial butane mixtures as possible alternatives to R134a in domestic refrigerators

    International Nuclear Information System (INIS)

    Fatouh, M.; El Kafafy, M.

    2006-01-01

    The possibility of using hydrocarbon mixtures as working fluids to replace R134a in domestic refrigerators has been evaluated through a simulation analysis in the present work. The performance characteristics of domestic refrigerators were predicted over a wide range of evaporation temperatures (-35 to -10 o C) and condensation temperatures (40-60 deg. C) for various working fluids such as R134a, propane, commercial butane and propane/iso-butane/n-butane mixtures with various propane mass fractions. The performance characteristics of the considered domestic refrigerator were identified by the coefficient of performance (COP), volumetric cooling capacity, cooling capacity, condenser capacity, input power to compressor, discharge temperature, pressure ratio and refrigerant mass flow rate. The results showed that pure propane could not be used as a drop in replacement for R134a in domestic refrigerators because of its high operating pressures and low COP. Commercial butane yields many desirable characteristics but requires a compressor change. The coefficient of performance of the domestic refrigerator using a ternary hydrocarbon mixture with propane mass fractions from 0.5 to 0.7 is higher than that of R134a. Comparison among the considered working fluids confirmed that the average refrigerant mass flow rate of the propoane/commercial butane mixture is 50% lower than that of R134a. Also, the results indicated that R134a and the propoane/commercial butane mixture with 60% propane mass concentration have approximately the same values of saturation pressure, compressor discharge temperature, condenser heat load, input power, cooling capacity and volumetric cooling capacity. However, the pressure ratio of the hydrocarbon mixture with 60% propane is lower than that of R134a by about 11.1%. Finally, the reported results confirmed that the propane/iso-butane/n-butane mixture with 60% propane is the best drop in replacement for R134a in domestic refrigerators under normal

  18. Direct synthesis of iso-butane from synthesis gas or CO2 over CuZnZrAl/Pd-β hybrid catalyst

    Directory of Open Access Journals (Sweden)

    Congming Li

    2017-12-01

    Full Text Available The effect of various factors on the catalytic performance of iso-butane formation over CuZnZrAl/Pd-β hybrid catalyst via synthesis gas or CO2 hydrogenation has been deeply investigated in this work. It was interesting to note that the iso-butane/n-butane ratio value was much higher than that of thermodynamic equilibrium (about 1/1, whose value was directly related to the reaction condition using this hybrid catalyst. In order to further clearly clarify this finding, various experimental reaction factors were selected to investigate the formation of iso-butane. The results revealed that increasing temperature, H2/COx, CO2/COx, and/or Pd loading possessed an inhibiting effect on the iso-butane yield. High selectivity of iso-butane could be achieved by increasing the reaction pressure, W/F and the weight ratio of CuZnZrAl methanol catalyst to Pd-β catalyst. It is also noted that the addition of water seriously suppressed the reaction activity, resulting in the low ratio of iso-butane/n-butane. A possible reaction route was elucidated based on the latest results. This might shed light on the development of a high efficient catalyst for iso-butane production from synthesis gas or CO2 hydrogenation. Keywords: Iso-butane, Synthesis gas, CO2, CuZnZrAl/Pd-β hybrid catalyst

  19. High-pressure cloud point data for the system glycerol + olive oil + n-butane + AOT

    Directory of Open Access Journals (Sweden)

    J. P. Bender

    2008-09-01

    Full Text Available This work reports high-pressure cloud point data for the quaternary system glycerol + olive oil + n-butane + AOT surfactant. The static synthetic method, using a variable-volume view cell, was employed for obtaining the experimental data at pressures up to 27 MPa. The effects of glycerol/olive oil concentration and surfactant addition on the pressure transition values were evaluated in the temperature range from 303 K to 343 K. For the system investigated, vapor-liquid (VLE, liquid-liquid (LLE and vapor-liquid-liquid (VLLE equilibrium were recorded. It was experimentally observed that, at a given temperature and surfactant content, an increase in the concentration of glycerol/oil ratio led to a pronounced increase in the slope of the liquid-liquid coexistence curve. A comparison with results reported for the same system but using propane as solvent showed that much lower pressure transition values are obtained when using n-butane.

  20. Structure of deformable diatomic molecules: a modified n-butane liquid

    International Nuclear Information System (INIS)

    Jang, Seanea; Kim, Soonchul; Lee, Songhi

    2005-01-01

    The density functional approximation for polyatomic molecules, which is based on the bridge function of the intermolecular interaction, was developed and applied to investigate the thermodynamic and the structural properties of deformable diatomic molecules. The Percus trick was employed to calculate the uniform structure of modified n-butane. The calculated static correlation functions were used to predict the density behaviors of a modified n-butane liquid at liquid-solid interfaces. The theoretical results show that (i) at low densities, the hypernetted-chain (HNC) equation compares with the density functional approximation based on the bridge function and that (ii) the relative population between the gauche and the trans states strongly affects the liquid structure at liquid-solid interfaces.

  1. Activity of bimetallic catalysts (Pt + Me)/A12030 in butane hydrogenolysis and benzene hydrogenation

    International Nuclear Information System (INIS)

    Zharkov, B.B.; Rubinov, A.Z.

    1986-01-01

    The authors evaluate the decomposing and hydrogenating activity of some Me/Al 2 0 3 0 and (Pt + Me)/Al 203 catalysis for the reactions of butane hydrogenolysis and conversion of benzene to cyclohexane. The temperature was 180-300 C for butane transformation and 150 C for benzene hydrogenation. During both reactions some initial decrease of catalytic activity which stabilized over 2-3 h was observed. The results show that roasting Re-containing reforming catalysts at fairly high temperatures (500-550 C) balances maximum hydrogenating and average splitting activities, thus guaranteeing high resistance to coke deposition while preserving the necessary selectivity. The decreased hydrogenating capacity of Ir/A1 2 0 3 0 and (Pt + Ir)/A1 23 0 catalysts after roasting at 500 C indicates insufficient thermal stability, which can be why renewing the initial activity of iridium containing forming catalysts by oxidating regeneration is difficult

  2. Investigation of the effect of support thermal treatment on gold-based catalysts' activity towards propene total oxidation

    International Nuclear Information System (INIS)

    Lamallem, M.; Cousin, R.; Thomas, R.; Siffert, St.; Aissi, F.; Aboukais, A.

    2009-01-01

    This paper reports a study on the effect of support thermal treatment on the activity of gold-based catalysts for the total oxidation of propene. Ce 0.3 Ti 0.7 O 2 supports were prepared using sol-gel method. These compounds are calcined at 400, 500 and 600 C. Physico-chemical properties of synthesized materials were characterized by means of XRD, DR/UV-vis and H 2 -TPR. Then gold was deposited on these supports by the deposition precipitation method. Thus the catalytic activity of these solids in the propene oxidation was evaluated. On the basis of the catalytic results, a better activity is obtained when gold is deposited on Ce 0.3 Ti 0.7 O 2 support previously calcined at 400 C under air. (authors)

  3. Buried Volume Analysis for Propene Polymerization Catalysis Promoted by Group 4 Metals: a Tool for Molecular Mass Prediction

    KAUST Repository

    Falivene, Laura; Cavallo, Luigi; Talarico, Giovanni

    2015-01-01

    A comparison of the steric properties of homogeneous single site catalysts for propene polymerization using the percentage of buried volume (%VBur) as molecular descriptor is reported. The %VBur calculated on the neutral precursors of the active species seems to be a reliable tool to explain several experimental data related to the propene insertion and to the monomer chain transfer. Interestingly, a linear correlation between the buried volume calculated for a large set of neutral precursors and the energetic difference between propagation and termination steps calculated by DFT methods is found for Group 4 metal catalysts. The “master curves” derived for Ti, Zr and Hf confirm not only that the %VBur is an appropriate molecular descriptor for the systems considered but also that it could be used as tool for a large computational screening of new ligands.

  4. Buried Volume Analysis for Propene Polymerization Catalysis Promoted by Group 4 Metals: a Tool for Molecular Mass Prediction

    KAUST Repository

    Falivene, Laura

    2015-10-02

    A comparison of the steric properties of homogeneous single site catalysts for propene polymerization using the percentage of buried volume (%VBur) as molecular descriptor is reported. The %VBur calculated on the neutral precursors of the active species seems to be a reliable tool to explain several experimental data related to the propene insertion and to the monomer chain transfer. Interestingly, a linear correlation between the buried volume calculated for a large set of neutral precursors and the energetic difference between propagation and termination steps calculated by DFT methods is found for Group 4 metal catalysts. The “master curves” derived for Ti, Zr and Hf confirm not only that the %VBur is an appropriate molecular descriptor for the systems considered but also that it could be used as tool for a large computational screening of new ligands.

  5. In Situ Raman Spectroscopy of Supported Chromium Oxide Catalysts: Reactivity Studies with Methanol and Butane

    NARCIS (Netherlands)

    Weckhuysen, B.M.; Wachs, I.E.

    1996-01-01

    The interactions of methanol and butane with supported chromium oxide catalysts under oxidizing and reducing conditions were studied by in situ Raman spectroscopy as a function of the specific oxide support (Al2O3, ZrO2, TiO2, SiO2, Nb2O5, 3% SiO2/TiO2, 3% TiO2/SiO2, and a physical mixture of SiO2

  6. Ion composition of a propane-butane-air flame at low pressure

    Energy Technology Data Exchange (ETDEWEB)

    Fialkov, A.B.; Fialkov, B.S.

    1985-06-01

    Ion types and distributions are determined experimentally for propane-butane-air flames with excess oxidizer coefficients of 0.7-1.2 in the pressure range 4-65 KPa. It is shown that nonthermal ionization occurs not only in the known chemiionization zone (which practically coincides with the chemiluminescence zone) but also in the mixture preparation zone. A general mechanism for ion formation in the flame is proposed. 42 references.

  7. The liquid phase oxidation of n-butane: a search for plausible mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Hobbs, C.C. [Celanese Ltd., TX (United States). Corpus Christi Technical Center

    1998-12-31

    This articles deals with an approach that has given some key information about the mechanisms of the liquid phase oxidation of butane to acetic acid. This procedure has been developed over the last 34 years; however, much of what will be discussed represents a synthesis of previous insights. Many of the observations are relatively recent and have not been previously published. In principle, this approach should be applicable to many oxidation processes. (orig.)

  8. Electrochemical oxidation of propene by use of LSM15/CGO10 electrochemical reactor

    DEFF Research Database (Denmark)

    Ippolito, Davide; Andersen, Kjeld Bøhm; Kammer Hansen, Kent

    2012-01-01

    The propene catalytic oxidation was studied over an 11-layers porous electrochemical reactor made by La0.85Sr0.15MnO3 and Ce0.9Gd0.1O1.95 with the objective to simulate the abatement of exhaust gases emitted from Diesel engines. This work shows the possibility to enhance the catalytic activity th...... of catalysis (EPOC) was found at low temperature....

  9. Direct Production of Propene from the Thermolysis of Poly(β-hydroxybutyrate) (PHB). An Experimental and DFT Investigation.

    Science.gov (United States)

    Clark, Jared M; Pilath, Heidi M; Mittal, Ashutosh; Michener, William E; Robichaud, David J; Johnson, David K

    2016-01-28

    We demonstrate a synthetic route toward the production of propene directly from poly(β-hydroxybutyrate) (PHB), the most common of a wide range of high-molecular-mass microbial polyhydroxyalkanoates. Propene, a major commercial hydrocarbon, was obtained from the depolymerization of PHB and subsequent decarboxylation of the crotonic acid monomer in good yields (up to 75 mol %). The energetics of PHB depolymerization and the gas-phase decarboxylation of crotonic acid were also studied using density functional theory (DFT). The average activation energy for the cleavage of the R'C(O)O-R linkage is calculated to be 163.9 ± 7.0 kJ mol(-1). Intramolecular, autoacceleration effects regarding the depolymerization of PHB, as suggested in some literature accounts, arising from the formation of crotonyl and carboxyl functional groups in the products could not be confirmed by the results of DFT and microkinetic modeling. DFT results, however, suggest that intermolecular catalysis involving terminal carboxyl groups may accelerate PHB depolymerization. Activation energies for this process were estimated to be about 20 kJ mol(-1) lower than that for the noncatalyzed ester cleavage, 144.3 ± 6.4 kJ mol(-1). DFT calculations predict the decarboxylation of crotonic acid to follow second-order kinetics with an activation energy of 147.5 ± 6.3 kJ mol(-1), consistent with that measured experimentally, 146.9 kJ mol(-1). Microkinetic modeling of the PHB to propene overall reaction predicts decarboxylation of crotonic acid to be the rate-limiting step, consistent with experimental observations. The results also indicate that improvements made to enhance the isomerization of crotonic acid to vinylacetic acid will improve the direct conversion of PHB to propene.

  10. The potential of medium-pore zeolites for improved propene yields from catalytic cracking

    Energy Technology Data Exchange (ETDEWEB)

    Bager, F.; Salas, N.; Ernst, S. [Technische Univ. Kaiserslautern (Germany). Dept. of Chemistry, Chemical Technology

    2011-07-01

    The medium-pore zeolites ZSM-5 (MFI), ZSM-22 (TON), ZSM-23 (MTT), and EU-1 (EUO) were synthesized under hydrothermal conditions and modified by ion exchange to obtain the Broensted-acid forms. The activity and selectivity of these catalysts in catalytic cracking of a model compound, viz. n-octane, was studied in a fixed-bed flow-type reactor. The catalytic results clearly reflect the differences in the pore architectures of the tested zeolites on n-octane conversion and on the product selectivities. Over the zeolites with one-dimensional pore systems and without large intracrystalline cavities, a remarkable increase of the contribution of the monomolecular cracking mechanism could be observed as compared to the standard catalyst zeolite ZSM-5. This is indicated by a high selectivity for unsaturated products and, hence, increasing yields of propene. Large cavities in the pore system, viz. in the case of zeolite EU-1, increase the conversion in particular at lower temperatures. However, the large cavities also favor the formation of large transition states required for the classical bimolecular cracking mechanism, resulting in decreased selectivities for unsaturated products, increased selectivities for aromatics formation and faster deactivation. (orig.)

  11. Photodissociation dynamics of propene at 157.6 nm: Kinetic energy distributions and branching ratios

    International Nuclear Information System (INIS)

    Lee, S.-H.; Lee, Y.-Y.; Lee, Yuan T.; Yang Xueming

    2003-01-01

    Photodissociation dynamics of propene at 157.6 nm has been investigated in a molecular beam apparatus using the photofragment translational spectroscopic technique combined with the vacuum ultraviolet ionization method. Eleven photofragments have been successfully detected and ascribed to eight (five binary and three triple) dissociation channels: namely, C 3 H 5 +H, C 3 H 4 +H+H, C 3 H 4 +H 2 , C 3 H 3 +H 2 +H, C 2 H 4 +CH 2 , C 2 H 3 +CH 3 , C 2 H 2 +CH 4 , and C 2 H 2 +CH 3 +H. Their branching ratios have been determined to be 1%, 7%, 2 H 2 +CH 3 +H channel. In addition, the averaged kinetic energy releases and the fractions in translational energy have also been determined from the measured kinetic energy distributions. For the binary dissociation channels, the fractions in translational energy are less than 18% except the C 3 H 5 +H channel, whereas they are more than 42% for the triple dissociation channels. An intriguing finding indicates that the C 2 H 4 +CH 2 channel has a nearly identical kinetic energy distribution and a similar branching ratio to the C 2 H 3 +CH 3 channel, although the former undergoes a three-center elimination process different from the C-C bond rupture occurring in the latter

  12. Development of producing equipment of mixed butane-air with low dew point. Energy saving dewatering apparatus and 6A-Gas producing apparatus utilizing vaporization latent heat of butane and potential heat of air

    Energy Technology Data Exchange (ETDEWEB)

    Komine, Jin; Okada, Hiroto; Taniue, Nobuo; Tanoue, Keiju; Yamada, Tatsuhiko; Maekawa, Hisami; Murakami, Keiji

    1988-02-10

    A producing equipment of mixed butane-air with low dew point was developed. The dewatering was made during the period from the middle of May to the middle of October with high atmospheric humidity. The production capacity of the mixed gas is 3000 Nm/sup 3/ of 22% of butane and 78% of air per hour. The designed dew point is 18/sup 0/C or less under the pressure of 0.7 kg/cm/sup 2/G. The saturation temperature is 7.5/sup 0/C after the liquid butane is evacuated by a regulating valve. The air introduced into the dehumidifier through finned tubes is cooled to dewater based on those data. The partially vaporized butane is completely gasified by hot water in a vaporizer and mixed with the dewatered air by a venture mixer to produce the mixed butane-air. When the dewatering is incomplete, the spray nozzle must be just exchanged. The dew point of the produced gas was sufficiently below the designed value. The investment cost is low. The total operating cost is reduced by the remarkably decreased fuel cost though the power cost is increased. The noise level is low and the heat control is easy. (11 figs, 4 tabs, 1 photo)

  13. Volatile compounds of Domiati cheese made from buffaloe's milk with different fat content.

    Directory of Open Access Journals (Sweden)

    El-Mageed, Magda A. Abd

    1997-12-01

    Full Text Available Buffaloe's milk was manufactured to Domiati cheese with different fat content in the cheese milk (1%, 3.5% and 7%. Results obtained during the ripening period revealed that the low fat cheese (Karish is not able to long period storage, while half cream cheese had a good quality and flavour along the ripening period. The full cream cheese did not exceed the first month of ripening, then it deteriorated. The main components found were acrolein (propenal, heptanal, acetone, butan-2 one, ethanol, butan-2 ol, 2-methylpropan- 1-ol, 3-methyl butan-1-ol, ethyl propionate, propyl propionate, pentane and octane. Methyl mercaptan, methyl thiopropionate, and dimethyl trisulfide together with propyl butyrate, were existed in the samples which are characterized as bad cheese samples. Most of the previous compounds were developed after 1 month of ripening period.

    La leche de búfalo fue procesada para obtener queso Domiati con diferente contenido graso en la cuajada (1%, 3.5% y 7%. Los resultados obtenidos durante el período de maduración revelaron que el queso con bajo contenido en grasa (Karish no permite un largo período de almacenamiento, mientras que el queso con un contenido medio en grasa tuvo una buena calidad y flavor durante el período de maduración. El queso con alto contenido graso no duró más que el primer mes de maduración, deteriorándose posteriormente. Los principales componentes encontrados fueron acroleína (propenal, heptanal, acetona, butan-2-ona, etanol, butan-2-ol, 2- metil-propan-1-ol, 3 metil butan-1-ol, propionato de etilo, propionate de propilo, pentano y octano. Metil mercaptol, tiopropionato de metilo y trisulfuro de dimetilo Junto con butirato de propilo se encontraron en muestras que fueron caracterizadas como muestras de quesos malos. La mayoría de los compuestos anteriores se produjeron después de un mes de período de maduración.

  14. Ozone Activated Cool Diffusion Flames of Butane Isomers in a Counterflow Facility

    KAUST Repository

    Al Omier, Abdullah Abdulaziz

    2017-04-01

    Proceeding from the aim to reduce global pollution emissions from the continuous burning of hydrocarbons stimulated by increasing energy demand, more efficient and ultra-low emissions’ combustion concepts such as the homogenous charge compression ignition engines (HCCI) have been developed. These new engines rely on the low temperature chemistry (LTC) combustion concept. A detailed investigation of the properties of cool flames, governed by LTC, is essential for the design of these new engines. The primary goal of this work was to build a fundamental counterflow experiment for cool flames studies in a diffusive system, to better understand combustion in LTC engines. The project was intended to provide a basic understanding of the low-temperature reactivity and cool flames properties of butane isomers under atmospheric pressure conditions. This was achieved by establishing self-sustaining cool flames through a novel technique of ozone addition to an oxygen stream in a non-premixed counterflow model. The ignition and extinction limits of butane isomers’ cool flames have been investigated under a variety of strain rates. Results revealed that establishment of cool flames are favored at lower strain rates. Iso-butane was less reactive than n-butane by showing higher ignition and extinction limits. Ozone addition showed a significant influence on cool flame ignition and sustenance; it was found that increasing ozone concentration in the oxidizer stream dramatically increased the reactivity of both fuels. Results showed increased fuel reactivity as the temperature of the fuel stream outlet increased. 4 A numerical analysis was performed to simulate ignition and extinction of the cool flame in diffusive systems. The results revealed that ignition and extinction limits of cool flames are predominantly governed by LTC. The model qualitatively captured experimental trends for both fuels; however, it overpredicted both ignition and extinction limits under all strain rates

  15. High-pressure cloud point data for the system glycerol + olive oil + n-butane + AOT

    OpenAIRE

    Bender,J. P.; Junges,A.; Franceschi,E.; Corazza,F. C.; Dariva,C.; Oliveira,J. Vladimir; Corazza,M. L.

    2008-01-01

    This work reports high-pressure cloud point data for the quaternary system glycerol + olive oil + n-butane + AOT surfactant. The static synthetic method, using a variable-volume view cell, was employed for obtaining the experimental data at pressures up to 27 MPa. The effects of glycerol/olive oil concentration and surfactant addition on the pressure transition values were evaluated in the temperature range from 303 K to 343 K. For the system investigated, vapor-liquid (VLE), liquid-liquid (L...

  16. Molecular dynamics studies of the melting of butane and hexane monolayers adsorbed on the basal-plane surface of graphite

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Newton, J. C.; Taub, H.

    1993-01-01

    The effect of molecular steric properties on the melting of quasi-two-dimensional solids is investigated by comparing results of molecular dynamics simulations of the melting of butane and hexane monolayers adsorbed on the basal-plane surface of graphite. These molecules differ only in their length......, being members of the n-alkane series [CH3(CH2)n−2CH3] where n=4 for butane and n=6 for hexane. The simulations employ a skeletal model, which does not include the hydrogen atoms explicitly, to represent the intermolecular and molecule–substrate interactions. Nearest-neighbor intramolecular bonds...... are fixed in length, but the molecular flexibility is preserved by allowing the bend and dihedral torsion angles to vary. The simulations show a qualitatively different melting behavior for the butane and hexane monolayers consistent with neutron and x-ray scattering experiments. The melting of the low...

  17. Low-temperature superacid catalysis: Reactions of n - butane and propane catalyzed by iron- and manganese-promoted sulfated zirconia

    Energy Technology Data Exchange (ETDEWEB)

    Tsz-Keung, Cheung; d`Itri, J.L.; Lange, F.C.; Gates, B.C. [Univ. of California, Davis, CA (United States)

    1995-12-31

    The primary goal of this project is to evaluate the potential value of solid superacid catalysts of the sulfated zirconia type for light hydrocarbon conversion. The key experiments catalytic testing of the performance of such catalysts in a flow reactor fed with streams containing, for example, n-butane or propane. Fe- and Mn-promoted sulfated zirconia was used to catalyze the conversion of n-butane at atmospheric pressure, 225-450{degrees}C, and n-butane partial pressures in the range of 0.0025-0.01 atm. At temperatures <225{degrees}C, these reactions were accompanied by cracking; at temperatures >350{degrees}C, cracking and isomerization occurred. Catalyst deactivation, resulting at least in part from coke formation, was rapid. The primary cracking products were methane, ethane, ethylene, and propylene. The observation of these products along with an ethane/ethylene molar ratio of nearly 1 at 450{degrees}C is consistent with cracking occurring, at least in part, by the Haag-Dessau mechanism, whereby the strongly acidic catalyst protonates n-butane to give carbonium ions. The rate of methane formation from n-butane cracking catalyzed by Fe- and Mn-promoted sulfated zirconia at 450{degrees}C was about 3 x 10{sup -8} mol/(g of catalyst {center_dot}s). The observation of butanes, pentanes, and methane as products is consistent with Olah superacid chemistry, whereby propane is first protonated by a very strong acid to form a carbonium ion. The carbonium ion then decomposes into methane and an ethyl cation which undergoes oligocondensation reactions with propane to form higher molecular weight alkanes. The results are consistent with the identification of iron- and manganese-promoted sulfated zirconia as a superacid.

  18. Selective oxidation of propene on bismuth molybdate and mixed oxides of tin and antimony and of uranium and antimony

    International Nuclear Information System (INIS)

    Pendleton, P.; Taylor, D.

    1976-01-01

    Propene + 18 0 2 reactions have been studied in a static reaction system on bismuth molybdate and mixed oxides of tin and antimony and of uranium and antimony. The [ 16 0] acrolein content of the total acrolein formed and the proportion of 16 0 in the oxygen of the carbon dioxide by-product have been determined. The results indicate that for each catalyst the lattice is the only direct source of the oxygen in the aldehyde, and that lattice and/or gas phase oxygen is used in carbon dioxide formation. Oxygen anion mobility appears to be greater in the molybdate catalyst than in the other two. (author)

  19. Analysis of tank safety with propane-butane on LPG distribution station

    Directory of Open Access Journals (Sweden)

    Krzysiak Zbigniew

    2017-12-01

    Full Text Available An analysis of the risk of failure in the safety valve – tank with propane-butane (LPG system has been conducted. An uncontrolled outflow of liquid LPG, caused by a failure of the above mentioned system has been considered as a threat. The main research goal of the study is the hazardous analysis of propane-butane gas outflow for the safety valve – LPG tank system. The additional goal is the development of an useful method to fast identify the hazard of a mismatched safety valve. The results of the research analysis have confirmed that safety valves are basic protection of the installation (tank against failures that can lead to loss of life, material damage and further undesired costs of their unreliability. That is why a new, professional computer program has been created that allows for the selection of safety valves or for the verification of a safety valve selection in installations where any technical or technological changes have been made.

  20. Ternary (liquid + liquid) equilibria of {bis(trifluoromethylsulfonyl)-amide based ionic liquids + butan-1-ol + water}

    International Nuclear Information System (INIS)

    Marciniak, Andrzej; Wlazło, Michał; Gawkowska, Joanna

    2016-01-01

    Highlights: • Ternary (liquid + liquid) equilibria for 3 ionic liquid + butanol + water systems. • The influence of ionic liquid structure on phase diagrams is discussed. • Influence of IL structure on S and β for butanol/water separation is discussed. - Abstract: Ternary (liquid + liquid) phase equilibria for 3 systems containing bis(trifluoromethylsulfonyl)-amide ionic liquids (1-buthyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)-amide, 1-(2-methoxyethyl)-1-methylpiperidinium bis(trifluoromethylsulfonyl)-amide, {1-(2-methoxyethyl)-1-methylpyrrolidinium bis(trifluorylsulfonyl)-amide) + butan-1-ol + water} have been determined at T = 298.15 K. The selectivity and solute distribution ratio were calculated for investigated systems and compared with literature data for other systems containing ionic liquids. In each system total solubility of butan-1-ol and low solubility of water in the ionic liquid is observed. The experimental results have been correlated using NRTL model. The influence of the structure of ionic liquid on phase equilibria, selectivity and solute distribution ratio is shortly discussed.

  1. Isotopic study on mechanism for skeletal isomerization of n-butane over solid acids

    International Nuclear Information System (INIS)

    Suzuki, Tetsuo; Okuhara, Toshio

    2000-01-01

    Reaction mechanism for skeletal isomerization of n-butane over typical strong solid acids were investigated by using 1,4- 13 C 2 -n-butane. We used FI MASS for the analysis of 13 C distribution to get the parent pattern. 13 C-distribution of isobutane formed at 423 K over SO 3 2- /ZrO 2 (SZ) and Cs 2.5 H 0.5 PW 12 O 40 (Cs2.5) were close to binomial distributions, indicating that the isomerization proceeded mainly via a bimolecular mechanism on these catalysts. On the other hand, at 523 K over Cs2.5, the isotopic distribution pattern in isobutane was quite different from the binomial one; the fraction of 13 C 2 -isobutane was much greater than the binomial distribution. This result demonstrates that an intramolecular (monomolecular) rearrangement became significant at 523 K over Cs2.5. The contribution of monomolecular pathway was higher on Cs2.5 than on SZ. We presumed that the contribution of mechanism is related to the acidic property and the dehydrogenation ability of the catalyst. (S.Y.)

  2. Efficacy of water spray protection against propane and butane jet fires impinging on LPG storage tanks

    Energy Technology Data Exchange (ETDEWEB)

    Shirvill, L.C. [Shell Global Solutions (UK), Chester (United Kingdom)

    2004-03-01

    Liquefied petroleum gas (LPG) storage tanks are often provided with water sprays to protect them in the event of a fire. This protection has been shown to be effective in a hydrocarbon pool fire but uncertainties remained regarding the degree of protection afforded in a jet fire resulting from a liquid or two-phase release of LPG. Two projects, sponsored by the Health and Safety Executive, have been undertaken to study, at full scale, the performance of a water spray system on an empty 13 tonne LPG vessel under conditions of jet fire impingement from nearby releases of liquid propane and butane. The results showed that a typical water deluge system found on an LPG storage vessel cannot be relied upon to maintain a water film over the whole vessel surface in an impinging propane or butane jet fire scenario. The deluge affects the fire itself, reducing the luminosity and smoke, resulting in a lower rate of wall temperature rise at the dry patches, when compared with the undeluged case. The results of these studies will be used by the HSE in assessing the risk of accidental fires on LPG installations leading to boiling liquid expanding vapour explosion (BLEVE) incidents. (Author)

  3. Effect of support on hydro-metathesis of propene: A comparative study of W(CH 3 ) 6 anchored to silica vs. silica-alumina

    KAUST Repository

    Tretiakov, Mykyta

    2018-03-27

    Hydro-metathesis of propene was carried out by using well-defined W(CH3)6 supported on silica and silica-alumina. It was observed that W(CH3)6 supported silica-alumina catalyst is much better (TON 4577) than the silica supported catalyst (TON 2104). We demonstrated that the present catalysts are much better than the previously reported (tantalum hydride/KCC-1, TON 786) catalyst. For the first time, we observed the formation of n-decane from propene, which enables us to think of using cheaper raw materials and converting them to petroleum range alkanes using hydro-metathesis reaction.

  4. Novel support effects on the mechanism of propene-deuterium: Addition and exchange reactions over dispersed ZrO2

    International Nuclear Information System (INIS)

    Naito, Shuichi; Tanimoto, Mitsutoshi

    1995-01-01

    The effect on the rate and mechanisms of propene-deuterium reactions of dispersing ZrO 2 on various supports such as silica, alumina, and titanium dioxide has been studied by microwave spectroscopic analysis of monodeuteropropene as well as by kinetic investigation. By dispersal of ZrO 2 on these supports, the rate of the C 3 H 6 -D 2 reactions is increased considerbly compared to that over unsupported ZrO 2 , with the decrease of activation energy. Hydrogen exchange in propene proceeds simultaneously with addition via the associative mechanism through n-propyl and s-propyl intermediates. Through XPS analysis of ZrO 2 /SiO 2 , it was found that a monolayer of ZrO 2 is formed over the silica support. The monolayer catalyst exhibits catalytic behavior quite different from that of unsupported ZrO 2 . On the other hand, alumina surfaces modified by ZrO 2 layers may be the main active sites in the case of ZrO 2 /Al 2 O 3 . The marked enhancement of the reaction rate in the lower loading region of ZrO 2 /TiO 2 may be explained by the strong interaction of atomically dispersed zirconium ions with active centers on TiO 2 . 28 refs., 10 figs., 1 tab

  5. Metabolic fate of endogenous molecular damage: Urinary glutathione conjugates of DNA-derived base propenals as markers of inflammation.

    Science.gov (United States)

    Jumpathong, Watthanachai; Chan, Wan; Taghizadeh, Koli; Babu, I Ramesh; Dedon, Peter C

    2015-09-01

    Although mechanistically linked to disease, cellular molecules damaged by endogenous processes have not emerged as significant biomarkers of inflammation and disease risk, due in part to poor understanding of their pharmacokinetic fate from tissue to excretion. Here, we use systematic metabolite profiling to define the fate of a common DNA oxidation product, base propenals, to discover such a biomarker. Based on known chemical reactivity and metabolism in liver cell extracts, 15 candidate metabolites were identified for liquid chromatography-coupled tandem mass spectrometry (LC-MS/MS) quantification in urine and bile of rats treated with thymine propenal (Tp). Analysis of urine revealed three metabolites (6% of Tp dose): thymine propenoate and two mercapturate derivatives of glutathione conjugates. Bile contained an additional four metabolites (22% of Tp dose): cysteinylglycine and cysteine derivatives of glutathione adducts. A bis-mercapturate was observed in urine of untreated rats and increased approximately three- to fourfold following CCl4-induced oxidative stress or treatment with the DNA-cleaving antitumor agent, bleomycin. Systematic metabolite profiling thus provides evidence for a metabolized DNA damage product as a candidate biomarker of inflammation and oxidative stress in humans.

  6. Samarium-modified vanadium phosphate catalyst for the selective oxidation of n-butane to maleic anhydride

    International Nuclear Information System (INIS)

    Wu, Hua-Yi; Wang, Hai-Bo; Liu, Xin-Hua; Li, Jian-Hui; Yang, Mei-Hua; Huang, Chuan-Jing; Weng, Wei-Zheng; Wan, Hui-Lin

    2015-01-01

    Graphical abstract: The addition of a small amount of Sm into VPO catalyst brought about great changes in its physicochemical properties such as surface area, surface morphology, phase composition and redox property, thus leading to a higher catalytic performance in the selective oxidation of n-butane to maleic anhydride, as compared to the undoped VPO catalyst. - Highlights: • The addition of Sm leads to great changes in the structure of VPO catalyst. • Sm improves performance of VPO for oxidation of n-butane to maleic anhydride. • Catalytic performance is closely related to structure of VPO catalyst. - Abstract: A series of samarium-modified vanadium phosphate catalysts were prepared and studied in selective oxidation of n-butane to maleic anhydride. The catalytic evaluation showed that Sm modification significantly increased the overall n-butane conversion and intrinsic activity. N 2 -adsorption, XRD, SEM, Raman, XPS, EPR and H 2 -TPR techniques were used to investigate the intrinsic difference among these catalysts. The results revealed that the addition of Sm to VPO catalyst can increase the surface area of the catalyst, lead to a significant change in catalyst morphology from plate-like structure into rosette-shape clusters, and largely promote the formation of (VO) 2 P 2 O 7 . All of these were related to the different catalytic performance of Sm-doped and undoped VPO catalysts. The roles of the different VOPO 4 phases and the influence of Sm were also described and discussed

  7. Thermodynamic analysis of direct internal reforming of methane and butane in proton and oxygen conducting fuel cells

    NARCIS (Netherlands)

    Biesheuvel, P.M.; Geerlings, J.J.C.

    2008-01-01

    We present results of a thermodynamic analysis of direct internal reforming fuel cells, based on either a proton conducting fuel cell (FC-H+) or an oxygen ion conducting fuel cell (FC-O2-). We analyze the option of methane as fuel as well as butane. The model self-consistently combines all chemical

  8. Oxidation and combustion of fuel-rich N-butane-oxygen mixture in a standard 20-liter explosion vessel

    NARCIS (Netherlands)

    Frolov, S.M.; Basevich, V.Y.; Smetanyuk, V.A.; Belyaev, A.A.; Pasman, H.J.

    2006-01-01

    Experiments on forced ignition of extremely fuel-rich n-butane-oxygen mixture with the equivalence ratio of 23 in the standard 20-liter spherical vessel at elevated initial pressure (4.1 bar) and temperature (500 K) reveal the nonmonotonic influence of the forced ignition delay time on the maximum

  9. Adsorption of n-butane on graphene/Ru(0001)—A molecular beam scattering study

    Energy Technology Data Exchange (ETDEWEB)

    Sivapragasam, Nilushni; Nayakasinghe, Mindika T.; Burghaus, Uwe, E-mail: uwe.burghaus@ndsu.edu [Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota 58108 (United States)

    2016-07-15

    Adsorption kinetics/dynamics of n-butane on graphene, physical vapor deposited on Ru(0001) (hereafter G/Ru), and bare Ru(0001) (hereafter Ru) are discussed. The chemical activity of the supported-graphene as well as the support was probed by thermal desorption spectroscopy (adsorption kinetics). In addition and to the best of our knowledge, for the first time, molecular beam scattering data of larger molecules were collected for graphene (probing the adsorption dynamics). Furthermore, samples were inspected by x-ray photoelectron spectroscopy and Auger electron spectroscopy. At the measuring conditions used here, n-butane adsorption kinetics/dynamics are molecular and nonactivated. Binding energies of butane on Ru and G/Ru are indistinguishable within experimental uncertainty. Thus, G/Ru is “kinetically transparent.” Initial adsorption probabilities, S{sub 0}, of n-butane decrease with increasing impact energy (0.76–1.72 eV) and are adsorption temperature independent for both Ru and G/Ru, again consistent with molecular adsorption. Also, S{sub 0} of Ru and G/Ru are indistinguishable within experimental uncertainty. Thus, G/Ru is “dynamically transparent.” Coverage dependent adsorption probabilities indicate precursor effects for graphene/Ru.

  10. Drop size distribution evolution after continuous or intermittent injection of butane or propane in a confined air flow

    NARCIS (Netherlands)

    Knubben, G.; Geld, van der C.W.M.

    1999-01-01

    Drop size distributions and velocities have been measured of n-butane and propane sprays, rapidly evaporating in air flowing at constant velocity, 15 m/s typically. The inlet air temperature has been found to be of main importance in the evaporation process. After a period of the order of the

  11. Dehydroisomerization of n-butane over Pt-ZSMMMm5(I): effect of the metal loading and acid site concentration

    NARCIS (Netherlands)

    Pirngruber, G.D.; Seshan, Kulathuiyer; Lercher, J.A.

    1999-01-01

    The dehydroisomerization of n-butane to isobutene over Pt–ZSM5 catalysts with a high Si/Al ratio was studied. The catalytic activity increases with increasing metal loading. Butenes formed via dehydrogenation over the metallic particles are converted to isobutene over the Brønsted acid sites. The

  12. Valence isomerization of 2-phospha-4-silabicyclo[1.1.0]butane: a high-level ab initio study

    NARCIS (Netherlands)

    Slootweg, J.C.; Ehlers, A.W.; Lammertsma, K.

    2006-01-01

    The rearrangements for 2-phospha-4-silabicyclo[1.1.0]butane, analogous to the valence isomerization of the hydrocarbons bicyclobutane, 1,3-butadiene, and cyclobutene, were studied at the (U)QCISD(T)/ 6-311+G**//(U)QCISD/6-31G* level of theory. The monocyclic 1,2-dihydro-1,2-phosphasiletes are shown

  13. Adsorption of n-butane on graphene/Ru(0001)—A molecular beam scattering study

    International Nuclear Information System (INIS)

    Sivapragasam, Nilushni; Nayakasinghe, Mindika T.; Burghaus, Uwe

    2016-01-01

    Adsorption kinetics/dynamics of n-butane on graphene, physical vapor deposited on Ru(0001) (hereafter G/Ru), and bare Ru(0001) (hereafter Ru) are discussed. The chemical activity of the supported-graphene as well as the support was probed by thermal desorption spectroscopy (adsorption kinetics). In addition and to the best of our knowledge, for the first time, molecular beam scattering data of larger molecules were collected for graphene (probing the adsorption dynamics). Furthermore, samples were inspected by x-ray photoelectron spectroscopy and Auger electron spectroscopy. At the measuring conditions used here, n-butane adsorption kinetics/dynamics are molecular and nonactivated. Binding energies of butane on Ru and G/Ru are indistinguishable within experimental uncertainty. Thus, G/Ru is “kinetically transparent.” Initial adsorption probabilities, S 0 , of n-butane decrease with increasing impact energy (0.76–1.72 eV) and are adsorption temperature independent for both Ru and G/Ru, again consistent with molecular adsorption. Also, S 0 of Ru and G/Ru are indistinguishable within experimental uncertainty. Thus, G/Ru is “dynamically transparent.” Coverage dependent adsorption probabilities indicate precursor effects for graphene/Ru.

  14. Anaerobic degradation of propane and butane by sulfate-reducing bacteria enriched from marine hydrocarbon cold seeps.

    Science.gov (United States)

    Jaekel, Ulrike; Musat, Niculina; Adam, Birgit; Kuypers, Marcel; Grundmann, Olav; Musat, Florin

    2013-05-01

    The short-chain, non-methane hydrocarbons propane and butane can contribute significantly to the carbon and sulfur cycles in marine environments affected by oil or natural gas seepage. In the present study, we enriched and identified novel propane and butane-degrading sulfate reducers from marine oil and gas cold seeps in the Gulf of Mexico and Hydrate Ridge. The enrichment cultures obtained were able to degrade simultaneously propane and butane, but not other gaseous alkanes. They were cold-adapted, showing highest sulfate-reduction rates between 16 and 20 °C. Analysis of 16S rRNA gene libraries, followed by whole-cell hybridizations with sequence-specific oligonucleotide probes showed that each enrichment culture was dominated by a unique phylotype affiliated with the Desulfosarcina-Desulfococcus cluster within the Deltaproteobacteria. These phylotypes formed a distinct phylogenetic cluster of propane and butane degraders, including sequences from environments associated with hydrocarbon seeps. Incubations with (13)C-labeled substrates, hybridizations with sequence-specific probes and nanoSIMS analyses showed that cells of the dominant phylotypes were the first to become enriched in (13)C, demonstrating that they were directly involved in hydrocarbon degradation. Furthermore, using the nanoSIMS data, carbon assimilation rates were calculated for the dominant cells in each enrichment culture.

  15. Isothermal phase (vapour + liquid) equilibrium data for binary mixtures of propene (R1270) with either 1,1,2,3,3,3-hexafluoro-1-propene (R1216) or 2,2,3-trifluoro-3-(trifluoromethyl)oxirane in the temperature range of (279 to 318) K

    International Nuclear Information System (INIS)

    Subramoney, Shalendra Clinton; Nelson, Wayne Michael; Courtial, Xavier; Naidoo, Paramespri; Coquelet, Christophe; Richon, Dominique; Ramjugernath, Deresh

    2015-01-01

    Highlights: • Phase equilibrium data for propene and hexafluoropropylene. • Phase equilibrium data for propene and hexafluoropropylene oxide. • Systems exhibit pressure-maximum azeotropes. • Data well correlated by Peng–Robinson equation of state with the Wong–Sandler mixing rule. - Abstract: Isothermal (vapour + liquid) equilibrium data (P–x–y) are presented for the 1-propene 1,1,2,3,3,3-hexafluoro-1-propene and the 1-propene + 2,2,3-trifluoro-3-(trifluoromethyl)oxirane binary systems. Both binary systems were studied at five temperatures, ranging from (279.36 to 318.09) K, at pressures up to 2 MPa. The experimental (vapour + liquid) equilibrium data were measured using an apparatus based on the “(static + analytic)” method incorporating a single movable Rapid On-Line Sampler-Injector to sample the liquid and vapour phases at equilibrium. The expanded uncertainties are approximated on average as T = 0.07 K, 0.008 MPa, and 0.007 and 0.009 for the temperature, pressure, and the liquid and vapour mole fractions, respectively. A homogenous maximum-pressure azeotrope was observed for both binary systems at all temperatures studied. The experimental data were correlated with the Peng–Robinson equation of state using the Mathias–Copeman alpha function, paired with the Wong–Sandler mixing rule and the Non-Random Two Liquid activity coefficient model. The model provided satisfactory representation of the phase equilibrium data measured

  16. Selective Propene Epoxidation on Immobilized Au6-10 Clusters: The Effect of Hydrogen and Water on Activity and Selectivity

    DEFF Research Database (Denmark)

    Lee, Sungsik; Molina, Luis M.; López, María J.

    2009-01-01

    Epoxidation made easy: Subnanometer gold clusters immobilized on amorphous alumina result in a highly active and selective catalyst for propene epoxidation. The highest selectivity is found for gas mixtures involving oxygen and water, thus avoiding the use of hydrogen. Ab initio DFT calculations ...

  17. Highly active, recyclable catalyst for the manufacture of viscous, low molecular weight, CO–ethene–propene-based polyketone, base component for a new class of resins

    NARCIS (Netherlands)

    Broekhuis, Antonius A.; Dirkzwager, Hendrik; Mul, Wilhelmus P.; Heeres, Hero J.; Linden, Adrianus J. van der; Orpen, A. Guy

    2002-01-01

    A highly active, recyclable homogeneous palladium(II) catalyst is described for the manufacture of viscous, low molecular weight CO–ethene–propene-based polyketone (Carilite Oligomer), used for the manufacture of a new class of resins (Carilite Resins). The catalyst is composed of palladium acetate,

  18. Effect of support on hydro-metathesis of propene: A comparative study of W(CH 3 ) 6 anchored to silica vs. silica-alumina

    KAUST Repository

    Tretiakov, Mykyta; Samantaray, Manoja; Saidi, Aya; Basset, Jean-Marie

    2018-01-01

    Hydro-metathesis of propene was carried out by using well-defined W(CH3)6 supported on silica and silica-alumina. It was observed that W(CH3)6 supported silica-alumina catalyst is much better (TON 4577) than the silica supported catalyst (TON 2104

  19. Poly[triaqua(μ-butane-1,2,3,4-tetracarboxylatodicadmium(II

    Directory of Open Access Journals (Sweden)

    Yong-Sheng Yan

    2009-12-01

    Full Text Available The asymmetric unit of the title CdII coordination polymer, [Cd2(C8H6O8(H2O3]n, contains two crystallographically independent CdII cations, one-half each of two independent anionic butane-1,2,3,4-tetracarboxylate units (L and three water molecules. Both anionic units lie on inversion centers. One of the CdII ions is six-coordinated by four carboxylate O atoms from four L anions and two water O atoms in a distorted octahedral coordination environment. The other CdII ion is eight-coordinated by seven carboxylate O atoms from four L anions and one water O atom. The anionic units bridge neighboring CdII centers, forming a three-dimensional framework. O—H...O hydrogen-bonding interactions between the water molecules and carboxylate O atoms further stabilize the structure.

  20. The pseudohydrogen bond structures between 2-F-epoxy-butane and three kinds of bimolecular

    International Nuclear Information System (INIS)

    Liu Yanzhi; Yuan Kun; Lu Lingling; Zhu Yuancheng; Dong Xiaoning

    2012-01-01

    The weak intermolecular interactions between 2-F-epoxy-butane and Iminazole, Thiazole and Oxazole were theoretically discussed by using density functional B3LYP (Becke, three-parameter, Lee- Yang-Parr)/6-311++G ** and HF (Hartree Fock)/6-311++G ** methods. The results showed that both the N…H conventional hydrogen bond and C-F…H-C pseudohydrogen bond (PHB) structures are coexisting in the three complexes. The weak intermolecular interactions energies indicate the relative stabilities of the three complexes are proportionable. The calculated results showed that the stretch vibrational frequency of C-H bond (electronic acceptor) presents blue shift, but that of C-F bond, which is intensely related to F group (electronic donor), presents red shift. Electron density topological properties demonstrates that the covalent and ionic characteristics of the C-F…H-C pseudohydrogen bond are proportional to that of convention hydrogen bond. (authors)

  1. Bronchospasm and anaphylactic shock following lidocaine aerosol inhalation in a patient with butane inhalation lung injury.

    Science.gov (United States)

    Lee, Min-Young; Park, Kyong Ah; Yeo, So-Jeong; Kim, Shin-Hee; Goong, Hyeun-Jeong; Jang, An-Soo; Park, Choon-Sik

    2011-10-01

    Allergic reactions to local anesthetics are very rare and represent inhalation lung injury due to butane gas fuel. On the fifth day, he developed an asthmatic attack and anaphylactic shock immediately after lidocaine aerosol administration to prepare for bronchoscopy to confirm an acute inhalational lung injury diagnosis. Cardiopulmonary resuscitation was performed immediately after respiratory arrest, and the patient was admitted to the intensive care unit intubated and on a ventilator. He was extubated safely on the third post-cardiopulmonary resuscitation day. These observations suggest that aerosol lidocaine anesthesia may cause airway narrowing and anaphylactic shock. Practitioners should be aware of this potential complication. We report on this case with a brief review of the literature.

  2. SnO2 quantum dots with rapid butane detection at lower ppm-level

    Science.gov (United States)

    Cai, Pan; Dong, Chengjun; Jiang, Ming; Shen, Yuanyuan; Tao, You; Wang, Yude

    2018-04-01

    SnO2 quantum dots (QDs) were successfully synthesized by a facile approach employing benzyl alcohol and ammonium hydroxide at lower temperature of 130 °C. It is revealed that the SnO2 QDs is about 3 nm in size to form clusters. The gas sensor based on SnO2 QDs shows a high potential for detecting low-ppm-level butane at 400 °C, exhibiting a high sensitivity, short response and rapid recovery time, and effective selectivity. The sensing mechanism is understood in terms of adsorbed oxygen species. Significantly, the excellent sensing performance is attributed to the smaller size of SnO2 and larger surface area (204.85 m2/g).

  3. Numerical and Experimental Study on Negative Buoyance Induced Vortices in N-Butane Jet Flames

    KAUST Repository

    Xiong, Yuan

    2015-07-26

    Near nozzle flow field in flickering n-butane diffusion jet flames was investigated with a special focus on transient flow patterns of negative buoyance induced vortices. The flow structures were obtained through Mie scattering imaging with seed particles in a fuel stream using continuous-wave (CW) Argon-ion laser. Velocity fields were also quantified with particle mage velocimetry (PIV) system having kHz repetition rate. The results showed that the dynamic motion of negative buoyance induced vortices near the nozzle exit was coupled strongly with a flame flickering instability. Typically during the flame flickering, the negative buoyant vortices oscillated at the flickering frequency. The vortices were distorted by the flickering motion and exhibited complicated transient vortical patterns, such as tilting and stretching. Numerical simulations were also implemented based on an open source C++ package, LaminarSMOKE, for further validations.

  4. Butane-1,4-diammonium bis(pyridine-2,6-dicarboxylatocuprate(II trihydrate

    Directory of Open Access Journals (Sweden)

    Mohammad Ghadermazi

    2008-05-01

    Full Text Available In the title compound, (C4H14N2[Cu(C7H3NO42]·3H2O or (bdaH2[Cu(pydc2]·3H2O (where bda is butane-1,4-diamine and pydcH2 is pyridine-2,6-dicarboxylic acid, the CuII atom is coordinated by four O atoms [Cu—O = 2.0557 (16–2.3194 (16 Å] and two N atoms [Cu—N = 1.9185 (18 and 1.9638 (18 Å] from two chelating rings of the pydc2− anions, which act as tridentate ligands. The geometry of the resulting CuN2O4 coordination can be described as distorted octahedral. The the two pydc2− fragments are almost perpendicular to one another [77.51 (11°]. To balance the charges, two centrosymmetric protonated butane-1,4-diammonium, (bdaH22+ cations are present. In the crystal structure, extensive O—H...O, N—H...O and C—H...O hydrogen bonds [D...A = 2.720 (2–3.446 (3 Å], ion pairing, C—O...π [O...π = 3.099 (2 Å] and π–π stacking interactions between the pydc2− rings [centroid–centroid distance = 3.5334 (15 Å] contribute to the formation of a three-dimensional supramolecular structure.

  5. Influence of the particle size of zeolite HZSM-5 on the catalytic performance in the ethene-to-propene reaction

    Energy Technology Data Exchange (ETDEWEB)

    Follmann, S.; Ernst, S. [Kaiserslautern Univ. (Germany). Dept. of Chemistry; Vetter, A.; Ripperger, S. [Kaiserslautern Univ. (Germany). Dept. of Mechanical and Process Engineering

    2013-11-01

    In this study, HZSM-5-type zeolites with comparable nSi/nAl-ratios but different crystallite sizes (6 {mu}m, 27 {mu}m, 40 {mu}m and 62 {mu}m) were synthesized and their physicochemical properties characterized by X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and nitrogen physisorption. Their catalytic properties were explored in the acid-catalyzed conversion of ethene to propene (and higher hydrocarbons). The results show that there is a significant influence of the crystallite size of the zeolite catalyst on the activity and time-on-steam stability. While the yields of short-chain olefins do not significantly differ for all materials investigated, the formation of aromatics is significantly suppressed over the catalyst with the largest crystallite size. (orig.)

  6. Hydroformylation of propene and 1-hexene catalysed by a alpha-zirconium phosphate supported rhodium-phosphine complex

    DEFF Research Database (Denmark)

    Karlsson, Magnus; Andersson, C; Hjortkjær, Jes

    2001-01-01

    The reaction of the amphiphilic ligand {4-[bis(diethylaminoethyl)aminomethyl]diphenyl}phosphine with alpha -zirconium phosphate, of intermediate surface area (24m(2) g(-1)), provided a phosphine functionalised support in which electrostatic interaction between ammonium groups on the ligand and de......-protonated surface hydroxyl groups on the support provided the binding force. The X-ray powder diffractogram of the material showed that the binding lowers the crystallinity of the carrier and that the ligand is not intercalated but bound at the outer surface and at the entrances to the interlamellar space. Reaction...... of the phosphine functionalised support with Rh(CO)(2)(acac) led to CO-phosphine exchange and formation of an immobilised complex of the composition LRh(CO)(acac) (L = surface bound phosphine). When applied as catalyst in continuous gas-phase hydroformylation of propene and in liquid phase hydroformylation of 1...

  7. Quasielastic neutron scattering and molecular dynamics simulation studies of the melting transition in butane and hexane monolayers adsorbed on graphite

    DEFF Research Database (Denmark)

    Hervig, K.W.; Wu, Z.; Dai, P.

    1997-01-01

    Quasielastic neutron scattering experiments and molecular dynamics (MD) simulations have been used to investigate molecular diffusive motion near the melting transition of monolayers of flexible rod-shaped molecules. The experiments were conducted on butane and hexane monolayers adsorbed...... comparison with experiment, quasielastic spectra calculated from the MD simulations were analyzed using the same models and fitting algorithms as for the neutron spectra. This combination of techniques gives a microscopic picture of the melting process in these two monolayers which is consistent with earlier...... neutron diffraction experiments. Butane melts abruptly to a liquid phase where the molecules in the trans conformation translationally diffuse while rotating about their center of mass. In the case of the hexane monolayer, the MD simulations show that the appearance of quasielastic scattering below T...

  8. Synthesis and evaluation of inhaled [11C]butane and intravenously injected [11C]acetone as potential radiotracers for studying inhalant abuse

    International Nuclear Information System (INIS)

    Gerasimov, Madina R.; Ferrieri, Richard A.; Pareto, Deborah; Logan, Jean; Alexoff, David; Ding Yushin

    2005-01-01

    The phenomenon of inhalant abuse is a growing problem in the US and many countries around the world. Yet, relatively little is known about the pharmacokinetic properties of inhalants that underlie their abuse potential. While the synthesis of 11 C-labeled toluene, acetone and butane has been proposed in the literature, none of these compounds has been developed as radiotracers for PET studies. In the present report we extend our previous studies with [ 11 C]toluene to include [ 11 C]acetone and [ 11 C]butane with the goal of comparing the pharmacokinetic profiles of these three volatile abused substances. Both [ 11 C]toluene and [ 11 C]acetone were administered intravenously and [ 11 C]butane was administered via inhalation to anesthesized baboons. Rapid and efficient uptake of radiolabeled toluene and acetone into the brain was followed by fast clearance in the case of toluene and slower kinetics in the case of acetone. [ 11 C]Butane was detected in the blood and brain following inhalation, but the levels of radioactivity in both tissues dropped to half of the maximal values over the period of less than a minute. To our knowledge, this is the first reported study of the in vivo brain pharmacokinetics of labeled acetone and butane in nonhuman primates. These data provide insight into the pharmacokinetic features possibly associated with the abuse liability of toluene, acetone and butane

  9. Biocatalytic hydroxylation of n-butane with in situ cofactor regeneration at low temperature and under normal pressure

    Directory of Open Access Journals (Sweden)

    Svenja Staudt

    2012-02-01

    Full Text Available The hydroxylation of n-alkanes, which proceeds in the presence of a P450-monooxygenase advantageously at temperatures significantly below room temperature, is described. In addition, an enzymatic hydroxylation of the “liquid gas” n-butane with in situ cofactor regeneration, which does not require high-pressure conditions, was developed. The resulting 2-butanol was obtained as the only regioisomer, at a product concentration of 0.16 g/L.

  10. Monolayer behaviour of chiral compounds at the air-water interface: 4-hexadecyloxy-butane-1,2-diol

    DEFF Research Database (Denmark)

    Rietz, R.; Rettig, W.; Brezesinski, G.

    1996-01-01

    Monolayers of the pure S-enantiomer (x(S) = 1) and of two mixtures x(S) = 0.75 and x(S) = 0.5 (racemate) of 4-hexadecyloxy-butane-1,2-diol (C16H33-O-CH2-CH2-CHOH-CH2OH) (HOBD) have been studied at the air-water interface by thermodynamic measurements, fluorescence microscopy and X-ray diffraction...

  11. Fundamental Studies of Butane Oxidation over Model-Supported Vanadium Oxide Catalysts: Molecular Structure-Reactivity Relationships

    NARCIS (Netherlands)

    Wachs, I.E.; Jehng, J.M.; Deo, G.; Weckhuysen, B.M.; Guliants, V.V.; Benziger, J.B.; Sundaresan, S.

    1997-01-01

    The oxidation of n-butane to maleic anhydride was investigated over a series of model-supported vanadia catalysts where the vanadia phase was present as a two-dimensional metal oxide overlayer on the different oxide supports (TiO2, ZrO2, CeO2, Nb2O5, Al2O3, and SiO2). No correlation was found

  12. (Vapour + liquid) equilibria of the {1,1-difluoroethane (HFC-152a) + n-butane (HC-600)} system

    International Nuclear Information System (INIS)

    Im, Jihoon; Lee, Gangwon; Lee, Yong-Jin; Kim, Hwayong

    2007-01-01

    Binary (vapour + liquid) equilibrium data were obtained for the {1,1-difluoroethane (HFC-152a) + n-butane (HC-600)} system at temperatures from 313.15 K to 363.15 K. These experiments were carried out with a circulating-type apparatus with on-line gas chromatography. The experimental data were correlated well by Peng-Robinson equation of state using the Wong-Sandler mixing rules. This system shows positive azeotropic phase behaviour

  13. Conversion of n-Butane to iso-Butene on Gallium/HZSM-5 Catalysts

    Directory of Open Access Journals (Sweden)

    S.M. Gheno

    2002-07-01

    Full Text Available The conversion of n-butane to iso-butene on gallium/HZSM-5 catalysts at 350ºC and WHSV=2.5h8-1 was studied. The catalysts were prepared by ion exchange from a Ga(NO32 solution and further submitted to calcination in air at 530ºC. TEM analysis with an EDAX detector and TPR-H2 data showed that after calcination the Ga species were present mainly as Ga2O3, which are reduced to Ga2O at temperatures near 610ºC. The specific acid activity (SAA of the catalysts increased with the increase in aluminum content in the zeolite, and for a fixed Si/Al ratio, the SAA increased with Ga content. Values for specific hydro/dehydrogenation activity (SH/DHA were significantly higher than those for SAA, indicating that the catalytic process is controlled by the kinetics on acid sites. Moreover, the production of iso-butene with a selectivity higher than 25% was a evidence that in gallium/HZSM-5-based catalysts the rate of the hydrogenation reaction is lower than that of the dehydrogenation reaction; this behavior confirmed the dehydrogenation nature of gallium species, thereby showing great promise for iso-butene production.

  14. Partial Oxidation of n-Butane over a Sol-Gel Prepared Vanadium Phosphorous Oxide

    Directory of Open Access Journals (Sweden)

    Juan M. Salazar

    2013-01-01

    Full Text Available Vanadium phosphorous oxide (VPO is traditionally manufactured from solid vanadium oxides by synthesizing VOHPO4∙0.5H2O (the precursor followed by in situ activation to produce (VO2P2O7 (the active phase. This paper discusses an alternative synthesis method based on sol-gel techniques. Vanadium (V triisopropoxide oxide was reacted with ortho-phosphoric acid in an aprotic solvent. The products were dried at high pressure in an autoclave with a controlled excess of solvent. This procedure produced a gel of VOPO4 with interlayer entrapped molecules. The surface area of the obtained materials was between 50 and 120 m2/g. Alcohol produced by the alkoxide hydrolysis reduced the vanadium during the drying step, thus VOPO4 was converted to the precursor. This procedure yielded non-agglomerated platelets, which were dehydrated and evaluated in a butane-air mixture. Catalysts were significantly more selective than the traditionally prepared materials with similar intrinsic activity. It is suggested that the small crystallite size obtained increased their selectivity towards maleic anhydride.

  15. User characteristics and effect profile of Butane Hash Oil: An extremely high-potency cannabis concentrate.

    Science.gov (United States)

    Chan, Gary C K; Hall, Wayne; Freeman, Tom P; Ferris, Jason; Kelly, Adrian B; Winstock, Adam

    2017-09-01

    Recent reports suggest an increase in use of extremely potent cannabis concentrates such as Butane Hash Oil (BHO) in some developed countries. The aims of this study were to examine the characteristics of BHO users and the effect profiles of BHO. Anonymous online survey in over 20 countries in 2014 and 2015. Participants aged 18 years or older were recruited through onward promotion and online social networks. The overall sample size was 181,870. In this sample, 46% (N=83,867) reported using some form of cannabis in the past year, and 3% reported BHO use (n=5922). Participants reported their use of 7 types of cannabis in the past 12 months, the source of their cannabis, reasons for use, use of other illegal substances, and lifetime diagnosis for depression, anxiety and psychosis. Participants were asked to rate subjective effects of BHO and high potency herbal cannabis. Participants who reported a lifetime diagnosis of depression (OR=1.15, p=0.003), anxiety (OR=1.72, pcannabis. BHO users also reported stronger negative effects and less positive effects when using BHO than high potency herbal cannabis (pcannabis. Copyright © 2017. Published by Elsevier B.V.

  16. Simulations of Propane and Butane Gas Sensor Based on Pristine Armchair Graphene Nanoribbon

    Science.gov (United States)

    Rashid, Haroon; Koel, Ants; Rang, Toomas

    2018-05-01

    Over the last decade graphene and its derivatives have gained a remarkable place in research field. As silicon technology is approaching to its geometrical limits so there is a need of alternate that can replace it. Graphene has emerged as a potential candidate for future nano-electronics applications due to its exceptional and extraordinary chemical, optical, electrical and mechanical properties. Graphene based sensors have gained significance for a wide range of sensing applications like detection of biomolecules, chemicals and gas molecules. It can be easily used to make electrical contacts and manipulate them according to the requirements as compared to the other nanomaterials. The intention of the work presented in this article is to contribute in this field by simulating a novel and cheap graphene nanoribbon sensor for the household gas leakage detection. QuantumWise Atomistix (ATK) software is used for the simulations of propane and butane gas sensor. Projected device density of the states (PDDOS) and the transmission spectrum of the device in the proximity of gas molecules are calculated and discussed. The change in the electric current through the device in the presence of the gas molecules is used as a gas detection mechanism for the simulated sensor.

  17. Subcritical Butane Extraction of Wheat Germ Oil and Its Deacidification by Molecular Distillation

    Directory of Open Access Journals (Sweden)

    Jinwei Li

    2016-12-01

    Full Text Available Extraction and deacidification are important stages for wheat germ oil (WGO production. Crude WGO was extracted using subcritical butane extraction (SBE and compared with traditional solvent extraction (SE and supercritical carbon dioxide extraction (SCE based on the yield, chemical index and fatty acid profile. Furthermore, the effects of the molecular distillation temperature on the quality of WGO were also investigated in this study. Results indicated that WGO extracted by SBE has a higher yield of 9.10% and better quality; at the same time, its fatty acid composition has no significant difference compared with that of SE and SCE. The molecular distillation experiment showed that the acid value, peroxide value and p-anisidine value of WGO were reduced with the increase of the evaporation temperatures, and the contents of the active constituents of tocopherol, polyphenols and phytosterols are simultaneously decreased. Generally, the distillation temperature of 150 °C is an appropriate condition for WGO deacidification with the higher deacidification efficiency of 77.78% and the higher retention rate of active constituents.

  18. Mechanism of n-butane hydrogenolysis promoted by Ta-hydrides supported on silica

    KAUST Repository

    Pasha, Farhan Ahmad

    2014-06-06

    The mechanism of hydrogenolysis of alkanes, promoted by Ta-hydrides supported on silica via 2 ≡ Si-O- bonds, has been studied with a density functional theory (DFT) approach. Our study suggests that the initial monohydride (≡ Si-O-)2Ta(III)H is rapidly trapped by molecular hydrogen to form the more stable tris-hydride (≡ Si-O-) 2Ta(V)H3. Loading of n-butane to the Ta-center occurs through C-H activation concerted with elimination of molecular hydrogen (σ-bond metathesis). Once the Ta-alkyl species is formed, the C-C activation step corresponds to a β-alkyl transfer to the metal with elimination of an olefin. According to these calculations, an α-alkyl transfer to the metal to form a Ta-carbene species is of higher energy. The olefins formed during the C-C activation step can be rapidly hydrogenated by both mono- and tris-Ta-hydride species, making the overall process of alkane cracking thermodynamically favored. © 2014 American Chemical Society.

  19. Recreational inhalation of butane and propane in adolescents: Two forensic cases of accidental death.

    Science.gov (United States)

    Sironi, Luca; Amadasi, Alberto; Zoja, Riccardo

    2016-09-01

    The recreational use of inhalants is a fairly widespread habit among adolescents because of the ease of availability and methods of assumption. Their use is however not free of risks, both for direct toxicity on several target organs and for a mechanism of gas replacement with lack of oxygen. The first case concerns a 12-year-old boy who died suddenly after sniffing a mix of butane and propane contained in a can of air freshener. The second case concerns a 14-year-old boy who died by acute poisoning by the same mixture contained in a refill for lighters. High concentrations of the compounds were found in the tissues by analysis with gas chromatography-mass spectrometry. The compounds found in tissues and biological fluids were perfectly compatible with those contained in the containers used for the inhalation. The mechanisms of death were therefore assessed in a combination of the direct toxicity of the compound and oxygen replacement, thus highlighting the crucial help that toxicological analyses can provide in such cases. Copyright © 2016. Published by Elsevier Ireland Ltd.

  20. Thermodynamic calculation of simultaneous reactions of n-butane isomerization and isobutane alkylation with ethylene

    Energy Technology Data Exchange (ETDEWEB)

    Batyrshin, N.N.; Beresneva, L.D.; Sidorov, V.A.

    1981-08-01

    Industrial production of ethylene alkylate has gained further development in connection with worldwide ecological problems and the planned changeover of automobile transport to unleaded gasolines, but the scale of production is still substantially less than that of sulfuric acid or hydrogen fluoride alkylates. This is due both to the instability of market prices for ethylene and the shortage of isobutane - a raw material for these large-tonnage production processes and for the synthetic rubber industry. The latter difficulty can be overcome by combining processes of isomerization of n-butane and alkylation of the resultant isobutane with ethylene in a single reaction unit. The possibility of combining these reactions using AlCl/sub 3/-based catalysts has been pointed out previously but in the literature there are no theoretical developments of technology or thermodynamic substantiation of a combined process. We have made a thermodynamic calculation of the consecutive (series-parallel) reactions of isomerization and alkylation with the goal of determining suitable technological conditions for carrying them out simultaneously and establishing the expected equilibrium yields of target products and the compositions of the reaction mixture.

  1. Benchmarking Experimental and Computational Thermochemical Data: A Case Study of the Butane Conformers.

    Science.gov (United States)

    Barna, Dóra; Nagy, Balázs; Csontos, József; Császár, Attila G; Tasi, Gyula

    2012-02-14

    Due to its crucial importance, numerous studies have been conducted to determine the enthalpy difference between the conformers of butane. However, it is shown here that the most reliable experimental values are biased due to the statistical model utilized during the evaluation of the raw experimental data. In this study, using the appropriate statistical model, both the experimental expectation values and the associated uncertainties are revised. For the 133-196 and 223-297 K temperature ranges, 668 ± 20 and 653 ± 125 cal mol(-1), respectively, are recommended as reference values. Furthermore, to show that present-day quantum chemistry is a favorable alternative to experimental techniques in the determination of enthalpy differences of conformers, a focal-point analysis, based on coupled-cluster electronic structure computations, has been performed that included contributions of up to perturbative quadruple excitations as well as small correction terms beyond the Born-Oppenheimer and nonrelativistic approximations. For the 133-196 and 223-297 K temperature ranges, in exceptional agreement with the corresponding revised experimental data, our computations yielded 668 ± 3 and 650 ± 6 cal mol(-1), respectively. The most reliable enthalpy difference values for 0 and 298.15 K are also provided by the computational approach, 680.9 ± 2.5 and 647.4 ± 7.0 cal mol(-1), respectively.

  2. A novel method to decompose two potent greenhouse gases: Photoreduction of SF6 and SF5CF3 in the presence of propene

    International Nuclear Information System (INIS)

    Huang Li; Shen Yan; Dong Wenbo; Zhang Renxi; Zhang Jianliang; Hou Huiqi

    2008-01-01

    SF 5 CF 3 and SF 6 are the most effective greenhouse gases on a per molecule basis in the atmosphere. Original laboratory trial for photoreduction of them by use of propene as a reactant was performed to develop a novel technique to destroy them. The highly reductive radicals produced during the photolysis of propene at 184.9 nm, such as ·CH 3 , ·C 2 H 3 , and ·C 3 H 5 , could efficiently decompose SF 6 and SF 5 CF 3 to CH 4 , elemental sulfur and trace amounts of fluorinated organic compounds. It was further demonstrated that the destruction and removal efficiency (DRE) of SF 5 X (X represented F or CF 3 ) was highly dependent on the initial propene-to-SF 5 X ratio. The addition of certain amounts of oxygen and water vapor not only enhanced the DRE but avoided the generation of deposits. In both systems, employment nitrogen as dilution gas lessened the DRE slightly. Given the advantage of less toxic products, the technique might contribute to SF 5 X remediation

  3. Associations between butane hash oil use and cannabis-related problems.

    Science.gov (United States)

    Meier, Madeline H

    2017-10-01

    High-potency cannabis concentrates are increasingly popular in the United States, and there is concern that use of high-potency cannabis might increase risk for cannabis-related problems. However, little is known about the potential negative consequences of concentrate use. This study reports on associations between past-year use of a high-potency cannabis concentrate, known as butane hash oil (BHO), and cannabis-related problems. A sample of 821 college students were recruited to complete a survey about their health and behavior. Participants who had used cannabis in the past year (33%, n=273) completed questions about their cannabis use, including their use of BHO and cannabis-related problems in eight domains: physical dependence, impaired control, academic-occupational problems, social-interpersonal problems, self-care problems, self-perception, risk behavior, and blackouts. Approximately 44% (n=121) of past-year cannabis users had used BHO in the past year. More frequent BHO use was associated with higher levels of physical dependence (RR=1.8, pcannabis-related academic/occupational problems (RR=1.5, p=0.004), poor self-care (RR=1.3, p=0.002), and cannabis-related risk behavior (RR=1.2, p=0.001). After accounting for sociodemographic factors, age of onset of cannabis use, sensation seeking, overall frequency of cannabis use, and frequency of other substance use, BHO use was still associated with higher levels of physical dependence (RR=1.2, p=0.014). BHO use is associated with greater physiological dependence on cannabis, even after accounting for potential confounders. Longitudinal research is needed to determine if cannabis users with higher levels of physiological dependence seek out BHO and/or if BHO use increases risk for physiological dependence. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Trapping dynamics of isobutane, n-butane, and neopentane on Pt(111): Effects of molecular weight and structure

    International Nuclear Information System (INIS)

    Weaver, J.F.; Madix, R.J.

    1999-01-01

    The molecular adsorption dynamics of isobutane, n-butane, and neopentane on Pt(111) was investigated using supersonic molecular beam techniques and stochastic trajectory calculations. Using the united atom approach, a single, pairwise-additive Morse Potential for methyl (methylene)- plantinum interactions quantitatively simulates the dependence of the initial trapping probability, α, on the initial translational energy, E T , and angle of incidence, θ i , for each alkane. For both isobutane and n-butane, the dependence of α on E T and θ i best scales with E T cos 0.8 θ i , which is similar to that found previously for ethane and propane trapping on Pt(111). The initial trapping probability of neopentane exhibits a more pronounced dependence on θ i , which scales according to E T cos 1.3 θ i . The simulations suggest that the enhanced angular dependence of α for neopentane is related to its molecular weight. As the mass of the incident species is increased, momentum transfer to the surface becomes more efficient than the interconversion of incident parallel and normal momentum due to corrugation of the surface potential. The net effect is an increase in the trapping probability at glancing incidence compared to lighter molecules, and a resulting shift in the angular dependence of α towards normal energy scaling. The calculations also predict that collisional energy transfer to rotation is important in promoting adsorption. For each molecule, rotational excitation is determined to be the most effective energy transfer process that discriminates trapping from scattering. In addition, translational energy transfer to torsional vibration about the central C - C bond is highly efficient for n-butane, and greatly facilitates adsorption. Less excitation is predicted for C - C - C bending modes for all of these molecules. copyright 1999 American Institute of Physics

  5. Butane-1,2,3,4-tetracarboxylic acid–1,10-phenanthroline–water (1/2/2

    Directory of Open Access Journals (Sweden)

    Hong-lin Zhu

    2011-07-01

    Full Text Available The asymmetric unit of the title compound, 2C12H8N2·C8H10O8·2H2O, contains one 1,10-phenanthroline molecule, one half-molecule of butane-1,2,3,4-tetracarboxylic acid (H4BTC and a water molecule, with the complete tetra-acid generated by crystallographic inversion symmetry. Intermolecular O—H...O hydrogen bonds and π–π stacking interactions [centroid–centroid distances = 3.672 (2 and 3.708 (2 Å form an extensive three-dimensional network, which consolidates the crystal packing.

  6. Bis(μ-2-hydroxymethyl-2-methylpropane-1,3-diolatobis[dichloridotitanium(IV] diethyl ether disolvate

    Directory of Open Access Journals (Sweden)

    Joyce M. Waters

    2013-12-01

    Full Text Available The title complex, [Ti2Cl4{CH3C(CH2O2(CH2OH}2], lies across a centre of symmetry with a diethyl ether solvent molecule hydrogen bonded to the –CH2OH groups on either side of it. The TiIV atom is coordinated in a distorted octahedral geometry by a tripodal ligand and two terminal chloride atoms. There are three coordination modes for the tripodal ligand distinguishable on the basis of their very different Ti—O bond lengths. For the terminal alkoxo ligand, the Ti—O distance is 1.760 (1 Å, the asymmetric bridge system has Ti—O bond lengths of 1.911 (1 and 2.048 (1 Å. The Ti—O bond length for the alcohol O atom is the longest at 2.148 (1 Å.

  7. Phase behaviour of heavy petroleum fractions in pure propane and n-butane and with methanol as co-solvent

    International Nuclear Information System (INIS)

    Canziani, D.; Ndiaye, P.M.; Franceschi, Elton; Corazza, Marcos L.; Vladimir Oliveira, J.

    2009-01-01

    This work reports phase equilibrium experimental results for heavy petroleum fractions in pure propane and n-butane as primary solvents and using methanol as co-solvent. Three kinds of oils were investigated from Marlim petroleum: a relatively light fraction coming from the first distillation of crude petroleum at atmospheric pressure (GOP - heavy gas oil of petroleum), the residue of such distillation (RAT) and the crude petroleum sample. Phase equilibrium measurements were performed in a high-pressure, variable-volume view cell, following the static synthetic method, over the temperature range of 323 K to 393 K, pressures up to 10 MPa and overall compositions of heavy component varying from 1 wt% to 40 wt%. Transition pressures for low methanol and oil concentrations were very close for GOP, RAT, and crude Marlim when using propane as the primary solvent. Close to propane critical temperature, two and three-phase transitions were observed for GOP and Marlim when methanol was increased. When n-butane was used as primary solvent, all transitions observed were of (vapour + liquid) type with transition pressure values smaller than those obtained for propane.

  8. Ethene/ethane and propene/propane separation via the olefin and paraffin selective metal-organic framework adsorbents CPO-27 and ZIF-8.

    Science.gov (United States)

    Böhme, Ulrike; Barth, Benjamin; Paula, Carolin; Kuhnt, Andreas; Schwieger, Wilhelm; Mundstock, Alexander; Caro, Jürgen; Hartmann, Martin

    2013-07-09

    Two types of metal-organic frameworks (MOFs) have been synthesized and evaluated in the separation of C2 and C3 olefins and paraffins. Whereas Co2(dhtp) (=Co-CPO-27 = Co-MOF-74) and Mg2(dhtp) show an adsorption selectivity for the olefins ethene and propene over the paraffins ethane and propane, the zeolitic imidazolate framework ZIF-8 behaves in the opposite way and preferentially adsorbs the alkane. Consequently, in breakthrough experiments, the olefins or paraffins, respectively, can be separated.

  9. Propene and l-octene hydroformylation with silica-supported, ionic liquid-phase (SILP) Rh-phosphine catalysts in continuous fixed-bed mode

    DEFF Research Database (Denmark)

    Riisager, Anders; Eriksen, Kim Michael; Wasserscheid, Peter

    2003-01-01

    - and liquid-phase hydroformylation of propene and 1-octene, exhibiting TOFs up to 88 h(-1) for SILP Rh-2 catalysts, while only low selectivities up to 74% n-aldehyde (n/iso ratio of 2.8) were obtained. This is the first example of continuous fixed-bed liquid-phase hydroformylation using SILP catalysts.......Supported ionic liquid-phase (SILP) catalysts were made by immobilizing Rh-monophosphine complexes of bis(m-phenylguanidinium) phenylphosphine 1 and NORBOS 2 ligands in 1-n-butyl-3-methylimidazolium hexafluorophosphate, [BMIM] [PF6], on a silica support. The catalysts were active in continuous gas...

  10. Diffusion of n-Butane, Isobutane and Ethane in a MFI-Zeolite Membrane Investigated by Gas Permeation and ZLC Measurements

    Czech Academy of Sciences Publication Activity Database

    Jiang, M.; Eic, M.; Miachon, S.; Dalmon, J. A.; Kočiřík, Milan

    2001-01-01

    Roč. 25, - (2001), s. 287-295 ISSN 1383-5866 R&D Projects: GA AV ČR IAA4040901 Grant - others:NATO Linkage Grant(XE) LG974432 Institutional research plan: CEZ:AV0Z4040901 Keywords : butane * isobutane and ethane * ZLC technique Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.552, year: 2001

  11. Selective oxidation of n-butane to maleic anhydride under oxygen-deficient conditions over V-P-O mixed oxides

    NARCIS (Netherlands)

    Bosch, H.; Bruggink, A.A.; Ross, J.R.H.

    1987-01-01

    The selective oxidation of n-butane to maleic anhydride over V-P-O mixed oxides was studied under oxygen deficient conditions. The mixed oxides were prepared with P/V atomic ratios ranging from 0.7 to 1.0. Catalysts with P/V <1.0 did not show any selectivity to maleic anhydride formation, regardless

  12. Shape-dependent plasma-catalytic activity of ZnO nanomaterials coated on porous ceramic membrane for oxidation of butane.

    Science.gov (United States)

    Sanjeeva Gandhi, M; Mok, Young Sun

    2014-12-01

    In order to explore the effects of the shape of ZnO nanomaterials on the plasma-catalytic decomposition of butane and the distribution of byproducts, three types of ZnO nanomaterials (nanoparticles (NPs), nanorods (NRs) and nanowires (NWs)) were prepared and coated on multi-channel porous alumina ceramic membrane. The structures and morphologies of the nanomaterials were confirmed by X-ray diffraction method and scanning electron microscopy. The observed catalytic activity of ZnO in the oxidative decomposition of butane was strongly shape-dependent. It was found that the ZnO NWs exhibited higher catalytic activity than the other nanomaterials and could completely oxidize butane into carbon oxides (COx). When using the bare or ZnO NPs-coated ceramic membrane, several unwanted partial oxidation and decomposition products like acetaldehyde, acetylene, methane and propane were identified during the decomposition of butane. When the ZnO NWs- or ZnO NRs-coated membrane was used, however, the formation of such unwanted byproducts except methane was completely avoided, and full conversion into COx was achieved. Better carbon balance and COx selectivity were obtained with the ZnO NWs and NRs than with the NPs. Copyright © 2014 Elsevier Ltd. All rights reserved.

  13. Using ethane and butane as probes to the molecular structure of 1-alkyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl] imide ionic liquids.

    Science.gov (United States)

    Costa Gomes, Margarida F; Pison, Laure; Pensado, Alfonso S; Pádua, Agilio A H

    2012-01-01

    In this work, we have studied the solubility and the thermodynamic properties of solvation, between 298 and 343 K and at pressures close to atmospheric, of ethane and n-butane in several ionic liquids based on the bis[(trifluoromethyl) sulfonyl]imide anion and on 1-alkyl-3-methylimidazolium cations, [CnC1Im] [NTf2], with alkyl side-chains varying from two to ten carbon atoms. The solubility of butane is circa one order of magnitude larger than that of ethane with mole fractions as high as 0.15 in [C10C1Im][NTf2] at 300 K. The solubilities of both n-butane and ethane gases are higher for ionic liquids with longer alkyl chains. The behaviour encountered is explained by the preferential solvation of the gases in the non-polar domains of the solvents, the larger solubility of n-butane being attributed to the dispersive contributions to the interaction energy. The rise in solubility with increasing size of the alkyl-side chain is explained by a more favourable entropy of solvation in the ionic liquids with larger cations. These conclusions are corroborated by molecular dynamics simulation studies.

  14. A new kinetic model based on the remote control mechanism to fit experimental data in the selective oxidation of propene into acrolein on biphasic catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Abdeldayem, H.M.; Ruiz, P.; Delmon, B. [Unite de Catalyse et Chimie des Materiaux Divises, Universite Catholique de Louvain, Louvain-La-Neuve (Belgium); Thyrion, F.C. [Unite des Procedes Faculte des Sciences Appliquees, Universite Catholique de Louvain, Louvain-La-Neuve (Belgium)

    1998-12-31

    A new kinetic model for a more accurate and detailed fitting of the experimental data is proposed. The model is based on the remote control mechanism (RCM). The RCM assumes that some oxides (called `donors`) are able to activate molecular oxygen transforming it to very active mobile species (spillover oxygen (O{sub OS})). O{sub OS} migrates onto the surface of the other oxide (called `acceptor`) where it creates and/or regenerates the active sites during the reaction. The model contains tow terms, one considering the creation of selective sites and the other the catalytic reaction at each site. The model has been tested in the selective oxidation of propene into acrolein (T=380, 400, 420 C; oxygen and propene partial pressures between 38 and 152 Torr). Catalysts were prepared as pure MoO{sub 3} (acceptor) and their mechanical mixtures with {alpha}-Sb{sub 2}O{sub 4} (donor) in different proportions. The presence of {alpha}-Sb{sub 2}O{sub 4} changes the reaction order, the activation energy of the reaction and the number of active sites of MoO{sub 3} produced by oxygen spillover. These changes are consistent with a modification in the degree of irrigation of the surface by oxygen spillover. The fitting of the model to experimental results shows that the number of sites created by O{sub SO} increases with the amount of {alpha}-Sb{sub 2}O{sub 4}. (orig.)

  15. Decomposition reaction rate of BCl3-C3H6(propene)-H2 in the gas phase.

    Science.gov (United States)

    Xiao, Jun; Su, Kehe; Liu, Yan; Ren, Hongjiang; Zeng, Qingfeng; Cheng, Laifei; Zhang, Litong

    2012-07-05

    The decomposition reaction rate in the BCl(3)-C(3)H(6)-H(2) gas phase reaction system in preparing boron carbides was investigated based on the most favorable reaction pathways proposed by Jiang et al. [Theor. Chem. Accs. 2010, 127, 519] and Yang et al. [J. Theor. Comput. Chem. 2012, 11, 53]. The rate constants of all the elementary reactions were evaluated with the variational transition state theory. The vibrational frequencies for the stationary points as well as the selected points along the minimum energy paths (MEPs) were calculated with density functional theory at the B3PW91/6-311G(d,p) level and the energies were refined with the accurate model chemistry method G3(MP2). For the elementary reaction associated with a transition state, the MEP was obtained with the intrinsic reaction coordinates, while for the elementary reaction without transition state, the relaxed potential energy surface scan was employed to obtain the MEP. The rate constants were calculated for temperatures within 200-2000 K and fitted into three-parameter Arrhenius expressions. The reaction rates were investigated by using the COMSOL software to solve numerically the coupled differential rate equations. The results show that the reactions are, consistent with the experiments, appropriate at 1100-1500 K with the reaction time of 30 s for 1100 K, 1.5 s for 1200 K, 0.12 s for 1300 K, 0.011 s for 1400 K, or 0.001 s for 1500 K, for propene being almost completely consumed. The completely dissociated species, boron carbides C(3)B, C(2)B, and CB, have very low concentrations, and C(3)B is the main product at higher temperatures, while C(2)B is the main product at lower temperatures. For the reaction time 1 s, all these concentrations approach into a nearly constant. The maximum value (in mol/m(3)) is for the highest temperature 1500 K with the orders of -13, -17, and -23 for C(3)B, C(2)B, and CB, respectively. It was also found that the logarithm of the overall reaction rate and reciprocal

  16. Isolation and characterisation of an unexpected byproduct in the regioselective butane diacetal protection of α-methyl galactopyranoside.

    Science.gov (United States)

    Fontenelle, Clément Q; Kuppala, Ramakrishna; Light, Mark; Linclau, Bruno

    2018-01-02

    The regioselective protection of both methyl galactopyranoside anomers at the 2 and 3-positions as the butane diacetal (BDA) is well known. Here we describe the formation of an unexpected byproduct, which mainly occurs when α-methyl galactopyranoside is reacted with 2,3-butanedione under BF 3 •OEt 2 catalysis. The structure of the byproduct, which did not arise from anomerisation to the β-anomer or from BDA formation at the galactopyranoside 3,4-positions, was elucidated by NMR and X-ray crystallographic analysis, and proved to be the expected BDA protected galactopyranoside, but in which the stereochemistry of both its BDA acetal centres are inverted. Interestingly, the conformation of the resulting six-membered BDA ring was distorted to a skew boat conformation in order to maintain anomeric stabilisation. Copyright © 2017. Published by Elsevier Ltd.

  17. Temperature-field measurements of a premixed butane/air circular impinging-flame using reference-beam interferometry

    International Nuclear Information System (INIS)

    Qi, J.A.; Leung, C.W.; Wong, W.O.; Probert, S.D.

    2006-01-01

    Reference-beam interferometry (RBI) was applied to study the axisymmetric temperature fields of a small-scale, low Reynolds-number, low-pressure and fuel-rich premixed butane/air circular-flame jet, when it was impinging vertically upwards onto a horizontal copper plate. By maintaining a Reynolds number, Re, of 500 and an equivalence ratio, φ, of 1.8, interferograms of the impinging-flame jet were obtained for various nozzle-to-plate-distances. Temperature fields of the flame were then determined using the inverse Abel transformation from the obtained interferograms. Temperatures at several locations were measured experimentally with a T-type thermocouple: they were used as a reference to help in the determination as well as the validation. In the present study, a non-contact method has been successfully developed to measure the temperature fields of a circular impinging gas-fired flame jet

  18. The relative reactivities of ethane, ethane-d6, n-butane and neopentane towards 'hot' tritium atoms

    International Nuclear Information System (INIS)

    Urch, D.S.; Welch, M.J.

    1974-01-01

    The reactions of recoil tritium with ethane-butane, and ethane-neopentane mixtures have been studied in the presence and absence of helium moderator. It is shown that the larger molecules are labelled by recoil atoms of a higher mean energy than those which label ethane. It is also shown that hydrogen atoms at CH 2 sites are replaced by higher energy tritium atoms than those at CH 3 sites. An analogy is drawn with the abstraction reaction and a simple unified model for high-energy recoil tritium reactions at a C-H site is proposed. The more complex the other groups attached to the carbon the greater the mean energy of the recoil atoms reacting with the C-H bond. Experiments with ethane-d 6 established that the primary isotope effect for abstraction is comparable to that for displacement with a value of 1.25 approximately 1.30. (orig.) [de

  19. Improved performance of Nb-doped vanadyl pyrophosphate, catalyst for n-butane oxidation to maleic anhydride

    Energy Technology Data Exchange (ETDEWEB)

    Pavarelli, G.; Caldarelli, A.; Cavani, F. [Bologna Univ. (Italy). Dipt. di Chimica Industriale ' Toso Montanari' ; Cortelli, C.; Luciani, S. [Polynt SpA, Scanzorosciate (Italy)

    2013-11-01

    We report here about an investigation on the role of Nb{sup 5+} when used as a promoter for vanadyl pyrophosphate, catalyst for the oxidation of n-butane to maleic anhydride. The effect of Nb was very complex, a function of both its amount and the reaction temperature used. The optimal catalytic behavior was shown for very low Nb contents, i.e., for a V/Nb atomic ratio as low as 150. The main role of Nb was that of accelerating the formation of a limited amount of {gamma}-VOPO{sub 4} on the surface of vanadyl pyrophosphate, by accelerating the oxidation of V{sup 4+} into V{sup 5+} under reaction conditions. (orig.)

  20. Determination of 2-Propenal Using Headspace Solid-Phase Microextraction Coupled to Gas Chromatography–Time-of-Flight Mass Spectrometry as a Marker for Authentication of Unrefined Sesame Oil

    Directory of Open Access Journals (Sweden)

    Ahmad Rois Mansur

    2017-01-01

    Full Text Available Ascertaining the authenticity of the unrefined sesame oil presents an ongoing challenge. Here, the determination of 2-propenal was performed by headspace solid-phase microextraction (HS-SPME under mild temperature coupled to gas chromatography with time-of-flight mass spectrometry, enabling the detection of adulteration of unrefined sesame oil with refined corn or soybean oil. Employing this coupled technique, 2-propenal was detected in all tested refined corn and soybean oils but not in any of the tested unrefined sesame oil samples. Using response surface methodology, the optimum extraction temperature, equilibrium time, and extraction time for the HS-SPME analysis of 2-propenal using carboxen/polydimethylsiloxane fiber were determined to be 55°C, 15 min, and 15 min, respectively, for refined corn oil and 55°C, 25 min, and 15 min, respectively, for refined soybean oil. Under these optimized conditions, the adulteration of unrefined sesame oil with refined corn or soybean oils (1–5% was successfully detected. The detection and quantification limits of 2-propenal were found to be in the range of 0.008–0.010 and 0.023–0.031 µg mL−1, respectively. The overall results demonstrate the potential of this novel method for the authentication of unrefined sesame oil.

  1. Chemical synthesis, docking studies and biological effects of functionalized 1,3-diaryl-2-propen-1-ones on human colon cancer cells

    Directory of Open Access Journals (Sweden)

    Guo-Min Zhu

    2015-03-01

    Full Text Available A series of 1, 3-diaryl-2-propen-1-ones was synthesised in order to obtain a new type of anticancer drug, designed with hybrid features to inhibit colon cancer activated receptor. Based on computational modelling and docking studies, potential inhibitors were synthesised and their biological activity evaluated. The structures of newly synthesized compounds were confirmed by 1HNMR, 13CNMR and Mass spectrometry. All analogues were evaluated for in vitro cytotoxicity against human colon (caco-2 cancer cell lines. Compounds 1b, 1f-1h, and 2i showed significant cytotoxicity. Chalcones 1b, 1f and 1g were identified as the most potent and selective anticancer agents with IC50 values <1 µg/mL and 1.5 µg/mL, against caco-2 cell line, respectively. In conclusion, this finding confirms the suitability of indolyl chalcone analogues as candidates for further investigation towards the management of colon cancer related diseases.

  2. A comunicação verde fala por si? Efeitos na identidade corporativa e propensão de compra [doi: 10.5329/RECADM.2013016

    Directory of Open Access Journals (Sweden)

    Simone Alves Pacheco de Campos

    2013-09-01

    Full Text Available A temática da sustentabilidade tem alterado o cenário estratégico das empresas diante de várias mudanças. Uma destas diz respeito às transformações nos critérios de decisão dos consumidores, que começam a predispor-se a tornar o verde a sua prioridade, atraídos por marcas que possuem princípios verdes. A partir disso, as empresas passaram a usar estratégias de comunicação dos seus princípios sustentáveis diretamente nas embalagens de seus produtos. Diante disso, o objetivo deste estudo foi verificar os impactos da comunicação verde na identidade corporativa e propensão de compra. Para tanto, realizou-se um estudo de caráter quase-experimental e com design fatorial da ordem de 2 (Embalagens e Selos Verdes x 2 (Identidade Corporativa e Propensão de Compra, manipulando a presença ou ausência do tipo de apelo utilizado (embalagem ou selos verdes. Como principais resultados, o estudo mostra que a identidade corporativa é percebida positivamente mediante a presença tanto dos selos quanto pelas embalagens verdes – sendo os primeiros mais efetivos – o que também influencia, de maneira positiva, na propensão de compra.   Palavras-chave: Comunicação verde, Propensão de compra, Identidade corporativa. DOES THE GREEN COMMUNICATION TALK BY ITSELF? EFFECTS IN CORPORATE IDENTITY AND PURCHASE PROPENSITY ABSTRACT The sustainability issues have changed the strategic environment of companies facing many changes. One of these being related to changes in the consumer’s decision criteria that have begun to promising the green being acted to brands that have linked green principles. Since that the companies started to use communication strategies for their sustainable principles directly on the packaging of their products. Thus, the objective of this study was to verify the impact of green communication on corporate identity and propensity to purchase. Therefore, we carried out a quasi-experimental study and with the factorial

  3. Análise da Propensão Empreendedora dos Alunos do Pólo de Viseu da Universidade Católica Portuguesa

    Directory of Open Access Journals (Sweden)

    Carla Patrícia Henriques Testas

    2016-02-01

    Em termos metodológicos, apresentam-se os resultados de um estudo efetuado com 348 alunos do Pólo de Viseu da Universidade Católica Portuguesa. Este estudo teve como principal objetivo conhecer a propensão empreendedora dos seus alunos. Os resultados obtidos neste estudo sugerem que os alunos têm pouca tendência empreendedora, o que se poderá dever aos receios e às dificuldades em desenvolver um negócio próprio, assim como a alguns fatores que condicionam a criação e o sucesso de uma empresa. Assim, é fundamental evidenciar a importância do empreendedorismo, quer para os indivíduos, quer para a sociedade, e, por isso, é indispensável fomentar a sua promoção, sobretudo junto da comunidade escolar.

  4. Theoretical Kinetic Study of the Unimolecular Keto–Enol Tautomerism Propen-2-ol ↔ Acetone. Pressure Effects and Implications in the Pyrolysis of tert- and 2-Butanol

    KAUST Repository

    Grajales Gonzalez, Edwing

    2018-03-21

    The need for renewable and cleaner sources of energy has made biofuels an interesting alternative to fossil fuels, especially in the case of butanol isomers, with its favorable blend properties and low hygroscopicity. Although C4 alcohols are prospective fuels, some key reactions governing their pyrolysis and combustion have not been adequately studied, leading to incomplete kinetic models. Enols are important intermediates in the combustion of C4 alcohols, as well as in atmospheric processes. Butanol reactions kinetics is poorly understood. Specifically, the unimolecular tautomerism of propen-2-ol ↔ acetone, which is included in butanol combustion kinetic models, is assigned rate parameters based on the tautomerism vinyl alcohol ↔ acetaldehyde as an analogy. In an attempt to update current kinetic models for tert- and 2-butanol, a theoretical kinetic study of the titled reaction was carried out by means of CCSD(T,FULL)/aug-cc-pVTZ//CCSD(T)/6-31+G(d,p) ab initio calculations, with multistructural torsional anharmonicity and variational transition state theory considerations in a wide temperature and pressure range (200-3000 K; 0.1-108 kPa). Results differ from vinyl alcohol ↔ acetaldehyde analogue reaction, which shows lower rate constant values. It was observed that decreasing pressure leads to a decrease in rate constants, describing the expected falloff behavior. Tunneling turned out to be important, especially at low temperatures. Accordingly, pyrolysis simulations in a batch reactor for tert- and 2-butanol with computed rate constants showed important differences in comparison with previous results, such as larger acetone yield and quicker propen-2-ol consumption.

  5. Theoretical Kinetic Study of the Unimolecular Keto–Enol Tautomerism Propen-2-ol ↔ Acetone. Pressure Effects and Implications in the Pyrolysis of tert- and 2-Butanol

    KAUST Repository

    Grajales Gonzalez, Edwing Javier; Monge Palacios, Manuel; Sarathy, Mani

    2018-01-01

    The need for renewable and cleaner sources of energy has made biofuels an interesting alternative to fossil fuels, especially in the case of butanol isomers, with its favorable blend properties and low hygroscopicity. Although C4 alcohols are prospective fuels, some key reactions governing their pyrolysis and combustion have not been adequately studied, leading to incomplete kinetic models. Enols are important intermediates in the combustion of C4 alcohols, as well as in atmospheric processes. Butanol reactions kinetics is poorly understood. Specifically, the unimolecular tautomerism of propen-2-ol ↔ acetone, which is included in butanol combustion kinetic models, is assigned rate parameters based on the tautomerism vinyl alcohol ↔ acetaldehyde as an analogy. In an attempt to update current kinetic models for tert- and 2-butanol, a theoretical kinetic study of the titled reaction was carried out by means of CCSD(T,FULL)/aug-cc-pVTZ//CCSD(T)/6-31+G(d,p) ab initio calculations, with multistructural torsional anharmonicity and variational transition state theory considerations in a wide temperature and pressure range (200-3000 K; 0.1-108 kPa). Results differ from vinyl alcohol ↔ acetaldehyde analogue reaction, which shows lower rate constant values. It was observed that decreasing pressure leads to a decrease in rate constants, describing the expected falloff behavior. Tunneling turned out to be important, especially at low temperatures. Accordingly, pyrolysis simulations in a batch reactor for tert- and 2-butanol with computed rate constants showed important differences in comparison with previous results, such as larger acetone yield and quicker propen-2-ol consumption.

  6. A coordination polymer of CdII with benzene-1,3-dicarboxylate and 1,4-bis[1-(2-pyridylmethylbenzimidazol-2-yl]butane

    Directory of Open Access Journals (Sweden)

    Wei-Ping Zhang

    2009-11-01

    Full Text Available The title CdII coordination polymer, catena-poly[[{1,4-bis[1-(2-pyridylmethylbenzimidazol-2-yl]butane}cadmium(II]-μ-benzene-1,3-dicarboxylato], [Cd(C8H4O4(C30H28N6]n, was obtained by reaction of CdCO3, benzene-1,3-dicarboxylic acid (H2btc and 1,4-bis[1-(2-pyridylmethylbenzimidazol-2-yl]butane (L. The CdII cation is six-coordinated by an N2O4-donor set. L acts as a bidentate ligand and btc anions link CdII centers into a chain propagating parallel to [010].

  7. Vapour pressure and excess Gibbs free energy of binary mixtures of hydrogen sulphide with ethane, propane, and n-butane at temperature of 182.33K

    International Nuclear Information System (INIS)

    Lobo, L.Q.; Ferreira, A.G.M.; Fonseca, I.M.A.; Senra, A.M.P.

    2006-01-01

    The vapour pressure of binary mixtures of hydrogen sulphide with ethane, propane, and n-butane was measured at T=182.33K covering most of the composition range. The excess Gibbs free energy of these mixtures has been derived from the measurements made. For the equimolar mixtures G m E (x 1 =0.5)=(835.5+/-5.8)J.mol -1 for (H 2 S+C 2 H 6 ) (820.1+/-2.4)J.mol -1 for (H 2 S+C 3 H 8 ), and (818.6+/-0.9)J.mol -1 for (H 2 S+n-C 4 H 10 ). The binary mixtures of H 2 S with ethane and with propane exhibit azeotropes, but that with n-butane does not

  8. Kinetic laws of deep oxidations of n-butane and carbon monoxide at presence Cu-Cr-Co/Al2O3/Al-frame catalysts

    International Nuclear Information System (INIS)

    Muradova, P.A; Djafarova, S.A; Seyfullayeva, Z.M; Efendiyev, M.R; Litvishkov, Yu. N.

    2007-01-01

    Full text: The results of research laws of reaction of deep oxidation of n-butane and carbon monoxide in the presence of Cu-Cr-Co/AL 2 O 3 /Al-frame catalysts are sited, with the purpose of acknowledgement of stated before assumptions on the physic oxidation-reduction mechanism of observable transformations. It is established, that dependence of an output of carbon monoxide on a degree of transformation of n-butane in an area of its relatively values, has extreme character that is typical for formation and an expenditure of intermediate products under the consecutive circuit. In area of low transformations of hydrocarbon CO and CO 2 are formed by parallel way. The generalized physic circuit of the postulated mechanism of joint transformation of n-butane and CO on three independent reactionary routes and kinetic model of process corresponding to it is offered. With use of settlement methods of optimization the estimation of parameters of the offered kinetic model has been out

  9. An Experimental Measurement on Laminar Burning Velocities and Markstein Length of Iso-Butane-Air Mixtures at Ambient Conditions

    Directory of Open Access Journals (Sweden)

    Yousif Alaeldeen Altag

    2016-01-01

    Full Text Available In the present work, experimental investigation on laminar combustion of iso-butane-air mixtures was conducted in constant volume explosion vessel. The experiments were conducted at wide range of equivalence ratios ranging between Ф = 0.6 and 1.4 and atmospheric pressure of 0.1 MPa and ambient temperature of 303K. Using spherically expanding flame method, flame parameters including stretched, unstretched flame propagation speeds, laminar burning velocities and Markstein length were calculated. For laminar burning velocities the method of error bars of 95% confidence level was applied. In addition, values of Markstein lengths were measured in wide range of equivalence ratios to study the influence of stretch rate on flame instability and burning velocity. It was found that the stretched flame speed and laminar burning velocities increased with equivalence ratios and the peak value was obtained at equivalence ratio of Ф = 1.1. The Markstein length decreased with the increases in equivalence ratios, which indicates that the diffusion thermal flame instability increased at high equivalence ratios in richer mixture side. However, the total deviations in the laminar burning velocities have discrepancies of 1.2-2.9% for all investigated mixtures.

  10. Autoignited laminar lifted flames of methane, ethylene, ethane, and n-butane jets in coflow air with elevated temperature

    KAUST Repository

    Choi, Byungchul

    2010-12-01

    The autoignition characteristics of laminar lifted flames of methane, ethylene, ethane, and n-butane fuels have been investigated experimentally in coflow air with elevated temperature over 800. K. The lifted flames were categorized into three regimes depending on the initial temperature and fuel mole fraction: (1) non-autoignited lifted flame, (2) autoignited lifted flame with tribrachial (or triple) edge, and (3) autoignited lifted flame with mild combustion. For the non-autoignited lifted flames at relatively low temperature, the existence of lifted flame depended on the Schmidt number of fuel, such that only the fuels with Sc > 1 exhibited stationary lifted flames. The balance mechanism between the propagation speed of tribrachial flame and local flow velocity stabilized the lifted flames. At relatively high initial temperatures, either autoignited lifted flames having tribrachial edge or autoignited lifted flames with mild combustion existed regardless of the Schmidt number of fuel. The adiabatic ignition delay time played a crucial role for the stabilization of autoignited flames. Especially, heat loss during the ignition process should be accounted for, such that the characteristic convection time, defined by the autoignition height divided by jet velocity was correlated well with the square of the adiabatic ignition delay time for the critical autoignition conditions. The liftoff height was also correlated well with the square of the adiabatic ignition delay time. © 2010 The Combustion Institute.

  11. An ab initio/Rice-Ramsperger-Kassel-Marcus prediction of rate constant and product branching ratios for unimolecular decomposition of propen-2-ol and related H+CH2COHCH2 reaction

    Science.gov (United States)

    Zhou, Chong-Wen; Li, Ze-Rong; Liu, Cun-Xi; Li, Xiang-Yuan

    2008-12-01

    Enols have been found to be important intermediates in the combustion flames of hydrocarbon [C. A. Taatjes et al., Science 308, 1887 (2005)]. The removal mechanism of enols in combustion flame has not been established yet. In this work, the potential energy surface for the unimolecular decomposition of syn-propen-2-ol and H+CH2COHCH2 recombination reactions have been first investigated by CCSD(T) method. The barrier heights, reaction energies, and geometrical parameters of the reactants, products, intermediates, and transition states have been investigated theoretically. The results show that the formation of CH3CO+CH3 via the CH3COCH3 intermediate is dominant for the unimolecular decomposition of syn-propen-2-ol and its branching ratio is over 99% in the whole temperature range from 700 to 3000 K, and its rate constant can be expressed as an analytical form in the range of T =700-3000 K at atmospheric pressure. This can be attributed to the lower energy barrier of this channel compared to the other channels. The association reaction of H with CH2COHCH2 is shown to be a little more complicated than the unimolecular decomposition of syn-propen-2-ol. The channel leading to CH3CO+CH3 takes a key role in the whole temperature range at atmospheric pressure. However at the higher pressure of 100 atm, the recombination by direct formation of syn-propen-2-ol through H addition is important at T 1400 K, the recombination channel leading to CH3CO+CH3 turns out to be significant.

  12. Effect of Co3O4 and Co3O4/CeO2 infiltration on the catalytic and electro-catalytic activity of LSM15/CGO10 porous cells stacks for oxidation of propene

    DEFF Research Database (Denmark)

    Ippolito, Davide; Kammer Hansen, Kent

    2015-01-01

    The objective of this work was to study the effect of Co3O4 and Co3O4/CeO2 infiltration on the propene oxidation catalytic activity of a La0.85Sr0.15MnO3/Ce0.9Gd0.1O1.95 electrochemical porous cell stack (11 layers, 5 single cells in series). The effect of the infiltration of Co3O4 and Co3O4/CeO2...... on the electrochemical properties of the porous cell stack was also investigated by electrochemical impedance spectroscopy (EIS). Co3O4 and Co3O4/CeO2 exhibited high catalytic activity for propene oxidation. The increase of propene oxidation rate with +4 V (0.8 V/cell) polarization reached 10% for the Co3O4 infiltrated...... reactor and 48% of efficiency at 300 °C. The Co3O4/CeO2 co-infiltration decreased the reactor polarization resistance, while Co3O4 infiltration had negligible effect on reactor electrochemical performance. The beneficial effect of CeO2 on the electrode activity was attributed to the increased...

  13. Process optimization and characterization of fragrant oil from red pepper (Capsicum annuum L.) seed extracted by subcritical butane extraction.

    Science.gov (United States)

    Gu, Ling-Biao; Pang, Hui-Li; Lu, Ke-Ke; Liu, Hua-Min; Wang, Xue-De; Qin, Guang-Yong

    2017-04-01

    Red pepper seeds account for 450-500 g kg -1 of the total pepper weight and are often discarded as waste. In this study, process optimization and characterization of fragrant oil from roasted red pepper seed extracted by subcritical butane extraction were carried out. The optimal conditions of extraction were a temperature of 74.61 °C, a time of 68.65 min and a liquid/solid ratio of 30.24:1. The oil had a refractive index (25 °C) of 1.471, a relative density of 0.900, an acid value of 1.421 mg g -1 oil, an iodine value of 127.035 g per 100 g, a saponification value of 184.060 mg KOH g -1 , an unsaponifiable matter content of 12.400 g kg -1 , a peroxide value of 2.465 meq. O 2 kg -1 and a viscosity of 52.094 cP. The main fatty acids in the oil were linoleic acid (72.95%) followed by palmitic acid (11.43%) and oleic acid (10.00%). The oil showed desirable thermal and oxidative stability. A total of 19 volatile compounds, mostly aldehydes and alkenes, were identified from the oil. The results indicated that the method is appropriate for the preparation of fragrant red pepper seed oil, and the oil is suitable for used as edible oil. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

  14. Chemoselective biohydrogenation of chalcone (2Ε)-3-(1,3-benzodioxole-5-yl)-1-phenyl-2-propen-1-one mediated by baker yeasts immobilized in polymeric supports

    International Nuclear Information System (INIS)

    Mundstock, Flavia L.S.; Silva, Vanessa D.; Nascimento, Maria da G.

    2009-01-01

    In this study, the yeast Saccharomyces cerevisiae, baker's yeast (BY) was immobilized in poly(ethylene oxide) (PEO), poly(vinyl alcohol) (PVA), sodium caseinate (SC), gelatin (G) films and in agar (A) and gelatin (G) gels, and used as a biocatalyst in the biohydrogenation reaction of (2Ε)-3-(1,3-benzodioxyl-5-yl)-1-phenyl-2-propen-1-one (1). The transformation of (1) into the corresponding dehydro chalcone (2) through biohydrogenation reactions was carried out in n-hexane at 25 or 35 deg C, for 4-48 h reaction. The product conversion, under different experimental conditions, was evaluated by hydrogen nuclear magnetic resonance, 1 H NMR.The highest conversion degrees were achieved using BY immobilized in agar gel, (29-47%), depending also on the temperature. Using BY immobilized in PEO, PVA, SC and G films, the conversion into (2) was lower (0-21%). The results show the feasibility of the use of BY immobilized in polymeric materials to reduce a,b-unsaturated carbonyl compounds. (author)

  15. Poly[[[diaquacobalt(II]-bis[μ2-1,1′-(butane-1,4-diyldiimidazole-κ2N3:N3′

    Directory of Open Access Journals (Sweden)

    2009-03-01

    Full Text Available In the title compound, {[Co(C10H14N42(H2O2](NO32}n, the CoII ion lies on an inversion center and is six-coordinated in an octahedral environment by four N atoms from four different 1,1′-butane-1,4-diyldiimidazole ligands and two O atoms from the two water molecules. The CoII atoms are bridged by ligands, generating a two-dimensional (4,4-network. Adjacent fishnet planes are linked to the nitrate anions via O—H...O hydrogen bonds, forming a three-dimensional supramolecular structure.

  16. 4,6-Dibromo-N-{3-[(4,6-dibromo-2,3-dimethylphenylimino]butan-2-ylidene}-2,3-dimethylaniline

    Directory of Open Access Journals (Sweden)

    Lina Huang

    2013-10-01

    Full Text Available The title compound, C20H20Br4N2, is a product of the condensation reaction of 4,6-dibromo-2,3-dimethylaniline and butane-2,3-dione. The molecule has a center of symmetry at the mid-point of the central C—C bond. The dihedral angle between the benzene ring and the 1,4-diazabutadiene plane is 78.3 (2°. Niether hydrogen bonding nor aromatic stacking is observed in the crystal structure.

  17. Site-Specific Rate Constant Measurements for Primary and Secondary H- and D-Abstraction by OH Radicals: Propane and n -Butane

    KAUST Repository

    Badra, Jihad; Nasir, Ehson F.; Farooq, Aamir

    2014-01-01

    Site-specific rate constants for hydrogen (H) and deuterium (D) abstraction by hydroxyl (OH) radicals were determined experimentally by monitoring the reaction of OH with two normal and six deuterated alkanes. The studied alkanes include propane (C3H8), propane 2,2 D2 (CH 3CD2CH3), propane 1,1,1-3,3,3 D6 (CD 3CH2CD3), propane D8 (C3D 8), n-butane (n-C4H10), butane 2,2-3,3 D4 (CH3CD2CD2CH3), butane 1,1,1-4,4,4 D6 (CD3CH2CH2CD3), and butane D10 (C4D10). Rate constant measurements were carried out over 840-1470 K and 1.2-2.1 atm using a shock tube and OH laser absorption. Previous low-temperature data were combined with the current high-temperature measurements to generate three-parameter fits which were then used to determine the site-specific rate constants. Two primary (P1,H and P 1,D) and four secondary (S00,H, S00,D, S 01,H, and S01,D) H- and D-abstraction rate constants, in which the subscripts refer to the number of C atoms connected to the next-nearest-neighbor C atom, are obtained. The modified Arrhenius expressions for the six site-specific abstractions by OH radicals are P1,H = 1.90 × 10-18T2.00 exp(-340.87 K/T) cm 3molecule-1s-1 (210-1294 K); P1,D= 2.72 × 10-17 T1.60 exp(-895.57 K/T) cm 3molecule-1s-1 (295-1317 K); S00,H = 4.40 × 10-18 T1.93 exp(121.50 K/T) cm 3molecule-1s-1 (210-1294 K); S00,D = 1.45 × 10-20 T2.69 exp(282.36 K/T) cm 3molecule-1s-1 (295-1341 K); S01,H = 4.65 × 10-17 T1.60 exp(-236.98 K/T) cm 3molecule-1s-1 (235-1407 K); S01,D = 1.26 × 10-18 T2.07 exp(-77.00 K/T) cm 3molecule-1s-1 (294-1412 K). © 2014 American Chemical Society.

  18. Site-Specific Rate Constant Measurements for Primary and Secondary H- and D-Abstraction by OH Radicals: Propane and n -Butane

    KAUST Repository

    Badra, Jihad

    2014-07-03

    Site-specific rate constants for hydrogen (H) and deuterium (D) abstraction by hydroxyl (OH) radicals were determined experimentally by monitoring the reaction of OH with two normal and six deuterated alkanes. The studied alkanes include propane (C3H8), propane 2,2 D2 (CH 3CD2CH3), propane 1,1,1-3,3,3 D6 (CD 3CH2CD3), propane D8 (C3D 8), n-butane (n-C4H10), butane 2,2-3,3 D4 (CH3CD2CD2CH3), butane 1,1,1-4,4,4 D6 (CD3CH2CH2CD3), and butane D10 (C4D10). Rate constant measurements were carried out over 840-1470 K and 1.2-2.1 atm using a shock tube and OH laser absorption. Previous low-temperature data were combined with the current high-temperature measurements to generate three-parameter fits which were then used to determine the site-specific rate constants. Two primary (P1,H and P 1,D) and four secondary (S00,H, S00,D, S 01,H, and S01,D) H- and D-abstraction rate constants, in which the subscripts refer to the number of C atoms connected to the next-nearest-neighbor C atom, are obtained. The modified Arrhenius expressions for the six site-specific abstractions by OH radicals are P1,H = 1.90 × 10-18T2.00 exp(-340.87 K/T) cm 3molecule-1s-1 (210-1294 K); P1,D= 2.72 × 10-17 T1.60 exp(-895.57 K/T) cm 3molecule-1s-1 (295-1317 K); S00,H = 4.40 × 10-18 T1.93 exp(121.50 K/T) cm 3molecule-1s-1 (210-1294 K); S00,D = 1.45 × 10-20 T2.69 exp(282.36 K/T) cm 3molecule-1s-1 (295-1341 K); S01,H = 4.65 × 10-17 T1.60 exp(-236.98 K/T) cm 3molecule-1s-1 (235-1407 K); S01,D = 1.26 × 10-18 T2.07 exp(-77.00 K/T) cm 3molecule-1s-1 (294-1412 K). © 2014 American Chemical Society.

  19. Quantification of the selective activation of C--H bonds in short chain alkanes: The reactivity of ethane, propane, isobutane, n-butane, and neopentane on Ir(111)

    International Nuclear Information System (INIS)

    Johnson, D.F.; Weinberg, W.H.

    1995-01-01

    The initial probabilities of precursor-mediated, dissociative chemisorption of the saturated hydrocarbons 13 C-labeled ethane, propane, isobutane, n-butane, and neopentane on the close-packed Ir(111) surface have been measured. The selective activation of primary (1 degree), secondary (2 degree), and tertiary (3 degree) C--H bonds has been quantified by examining the reactivities of the selectively deuterated isotopomers of propane, C 3 H 8 , CH 3 CD 2 CH 3 , and C 3 D 8 , and of isobutane, (CH 3 ) 3 CH, (CH 3 ) 3 CD, and (CD 3 ) 3 CH. With respect to the bottom of the physically adsorbed well for each hydrocarbon, the apparent C--H bond activation energies have been found to be 10.4±0.3 kcal/mol (ethane), 11.4±0.3 kcal/mol (propane), 11.5±0.3 kcal/mol (n-butane), 11.3±0.3 kcal/mol (i-butane), and 11.3±0.3 kcal/mol (neopentane). For all the alkanes examined, the ratios of the preexponential factors of the rate coefficients of reaction and desorption are 1x10 -2 . The C--D bond activation energies are higher than the corresponding C--H bond activation energies by 480 cal/mol (ethane), 630 cal/mol (propane), and 660 cal/mol (i-butane). By analyzing the primary kinetic isotope effects for the selectively deuterated isotopomers of propane and isobutane, the 2 degree C--H bond activation energy is found to be 310±160 cal/mol less than the 1 degree C--H bond activation energy on this surface, and similarly, 3 degree C--H bond cleavage is less by 80±70 cal/mol. The quantification of the branching ratios within the C--H bond activation channel for propane and isobutane on this surface shows that the formation of 1 degree-alkyl intermediates is, in general, favored over the formation of either 2 degree- or 3 degree-alkyl intermediates. (Abstract Truncated)

  20. Synthesis, Characterization and Thermal Decomposition Studies of Cr(III, Mn(II and Fe(III Complexes of N, N '-Bis[1,3-benzodioxol-5-ylmethylene]butane-1,4-diamine

    Directory of Open Access Journals (Sweden)

    Prasad M. Alex

    2009-01-01

    Full Text Available A bidentate Schiff base ligand namely, N,N'-bis-1,3-benzodioxol-5-ylmethylene]butane-1,4-diamine was synthesised by condensing piperonal (3,4-dioxymethylenebenzaldehyde with butane-1,4-diamine. Cr(III, Mn(II, Fe(III complexes of this chelating ligand were synthesised using acetates, chlorides, bromides, nitrates and perchlorates of these metals. The ligand and the complexes were characterised by elemental analysis, 1H NMR, UV-Vis and IR spectra, conductance and magnetic susceptibility measurements and thermogravimetric analysis. The thermograms of three complexes were analysed and the kinetic parameters for the different stages of decompositions were determined.

  1. Addressing the selectivity issue of cobalt doped zinc oxide thin film iso-butane sensors: Conductance transients and principal component analyses

    Science.gov (United States)

    Ghosh, A.; Majumder, S. B.

    2017-07-01

    Iso-butane (i-C4H10) is one of the major components of liquefied petroleum gas which is used as fuel in domestic and industrial applications. Developing chemi-resistive selective i-C4H10 thin film sensors remains a major challenge. Two strategies were undertaken to differentiate carbon monoxide, hydrogen, and iso-butane gases from the measured conductance transients of cobalt doped zinc oxide thin films. Following the first strategy, the response and recovery transients of conductances in these gas environments are fitted using the Langmuir adsorption kinetic model to estimate the heat of adsorption, response time constant, and activation energies for adsorption (response) and desorption (recovery). Although these test gases have seemingly different vapor densities, molecular diameters, and reactivities, analyzing the estimated heat of adsorption and activation energies (for both adsorption and desorption), we could not differentiate these gases unequivocally. However, we have found that the lower the vapor density, the faster the response time irrespective of the test gas concentration. As a second strategy, we demonstrated that feature extraction of conductance transients (using fast Fourier transformation) in conjunction with the pattern recognition algorithm (principal component analysis) is more fruitful to address the cross-sensitivity of Co doped ZnO thin film sensors. We have found that although the dispersion among different concentrations of hydrogen and carbon monoxide could not be avoided, each of these three gases forms distinct clusters in the plot of principal component 2 versus 1 and therefore could easily be differentiated.

  2. (p, ρ, T) Properties for n-butane in the temperature range from 280 K to 380 K at pressures up to 200 MPa

    International Nuclear Information System (INIS)

    Miyamoto, H.; Uematsu, M.

    2007-01-01

    The (p, ρ, T) properties for n-butane in the compressed liquid phase were measured by means of a metal-bellows variable volumometer in the temperature range from 280 K to 380 K at pressures up to 200 MPa. The mole fraction purity of the n-butane used in the measurements was 0.9997. The expanded uncertainties (k = 2) in temperature, pressure, and density measurements have been estimated to be less than ±3 mK; 1.4 kPa (p ≤ 7 MPa), 0.06% (7 MPa 150 MPa); and 0.09%, respectively. In the region above100 MPa at T = 280 K and T = 440 K, the uncertainty in density measurements increases from 0.09% to 0.13% and 0.22%, respectively. Eight (p, ρ, T) measurements at the same temperatures and pressures as the literature values have been conducted for comparisons. In addition, comparisons of the available equations of state with the present measurements are reported

  3. PM, NOx and butane emissions from on-road vehicle fleets in Hong Kong and their implications on emission control policy

    Science.gov (United States)

    Ning, Zhi; Wubulihairen, Maimaitireyimu; Yang, Fenhuan

    2012-12-01

    Vehicular emissions are the major sources of air pollution in urban areas. For metropolitan cities with large population working and living in environments with direct traffic impact, emission control is of great significance to protect public health. Implementation of more stringent emission standards, retrofitting fleet with emission control devices and switching to clearer fuel has been commonly practiced in different cities including Hong Kong. The present study employed a new plume chasing method for effective and quick evaluation of on-road fleet emission factors of particulate matter (PM), nitrogen oxides (NOx), and butane from heavy duty diesel trucks, diesel buses and liquefied petroleum gas (LPG) vehicles. The results showed distinct profiles of the emissions from different fleets with excessive butane emissions from LPG fleet and contrasting PM and NOx emissions from diesel trucks and buses fleets. A cross comparison was also made with emission data from other cities and from historic local studies. The implications of the observed difference on the effectiveness of emission control measures and policy are discussed with recommendations of direction for future research and policy making.

  4. The Fabrication of Ga2O3/ZSM-5 Hollow Fibers for Efficient Catalytic Conversion of n-Butane into Light Olefins and Aromatics

    Directory of Open Access Journals (Sweden)

    Jing Han

    2016-01-01

    Full Text Available In this study, the dehydrogenation component of Ga2O3 was introduced into ZSM-5 nanocrystals to prepare Ga2O3/ZSM-5 hollow fiber-based bifunctional catalysts. The physicochemical features of as-prepared catalysts were characterized by means of XRD, BET, SEM, STEM, NH3-TPD, etc., and their performances for the catalytic conversion of n-butane to produce light olefins and aromatics were investigated. The results indicated that a very small amount of gallium can cause a marked enhancement in the catalytic activity of ZSM-5 because of the synergistic effect of the dehydrogenation and aromatization properties of Ga2O3 and the cracking function of ZSM-5. Compared with Ga2O3/ZSM-5 nanoparticles, the unique hierarchical macro-meso-microporosity of the as-prepared hollow fibers can effectively enlarge the bifunctionality by enhancing the accessibility of active sites and the diffusion. Consequently, Ga2O3/ZSM-5 hollow fibers show excellent catalytic conversion of n-butane, with the highest yield of light olefins plus aromatics at 600 °C by 87.6%, which is 56.3%, 24.6%, and 13.3% higher than that of ZSM-5, ZSM-5 zeolite fibers, and Ga2O3/ZSM-5, respectively.

  5. Phenomenological Study of Confined Criticality: Insights from the Capillary Condensation of Propane, n-Butane, and n-Pentane in Nanopores.

    Science.gov (United States)

    Barsotti, Elizabeth; Tan, Sugata P; Piri, Mohammad; Chen, Jin-Hong

    2018-04-17

    We use the comparison of experimentally measured isotherms for propane, n-butane, and n-pentane in 2.90, 4.19, and 8.08 nm MCM-41 to show that the current model for the progression of capillary condensation may not hold true for chain molecules, such as normal alkanes. Until now, the capillary condensation of gases in unconnected, uniformly sized and shaped nanopores has been shown to progress in two distinct stages before ending in supercriticality of the confined fluid. First, at relatively low temperatures in isothermal measurements, the phase change is accompanied by hysteresis of adsorption and desorption. Second, as temperature increases, the hysteresis critical temperature is surpassed, and the phase change occurs reversibly. Although propane followed this progression, we observed a new progression for n-butane and n-pentane, in which hysteresis continues into the supercritical region of the confined fluid. We attribute this behavior to the molecular chain lengths of the adsorbates. Through further comparison of the adsorption, desorption, and critical properties of the adsorbates, we discovered new pressure phenomena of the confined supercritical fluids.

  6. (Z)-dimethylamino-1-(4-bromophenyl)-1-(3-pyridyl) propene (H 102/09), a new selective inhibitor of the neuronal 5-hydroxytryptamine uptake

    International Nuclear Information System (INIS)

    Ross, S.B.; Oegren, S.-O.; Renyi, A.L.

    1976-01-01

    The inhibition of the uptake of 3 H-(-)-noradrenaline (NA), 3 H-dopamine and 14 C-5-hydroxytryptamine (5-HT) in mouse brain slices by (Z)-3-dimethylamino-1-(4-bromophenyl)-1-(3-pyridyl)propene(H 102/09), desipramine and chlorimipramine and their releasing effect on the 3 H-amines previously accumulated in the slices were examined. The interactions with reserpine produced hypothermia and sedation and the 5-hydroxytryptophan (5-HTP) syndrome in mice were also studied. Due to the poor inhibitory activity on the NA uptake H 102/09 was a more selective inhii.or of the 5-HT uptake than was chlorimipramine, particularly after administration in vivo, where it was as potent as chlorimipramine (ED50=19μmol/kg intraperitoneally). In vitro chlorimipramine was 6 to 12 times more active than H 102/09. Desipramine was a very selective inhibitor of the NA uptake in vitro and in vivo. The compounds were generally more potent in inhibiting the uptake than in releasing the amines. However, in striatal slices the inhibition of DA uptake could be due to the releasing effect since the difference in potencies were small. The effect of desipramine on 5-HT uptake and that of H102/09 on NA uptake could also involve a release component. The 5-HTP syndrome was potentiated by H 102/09 and chlorimipramine but not by desipramine. The reserpine hypothermia but not the sedation was potently antagonized and reversed by desipramine and by chlorimipramine at high doses but not by H 102/09, suggested that NA but not 5-HT is involved in the hypothermic action of reserpine. (author)

  7. Educação on-line em contabilidade: propensão e aspectos curriculares On-line accounting education: tendency and curriculum aspects

    Directory of Open Access Journals (Sweden)

    Edgard B. Cornachione Jr

    2007-12-01

    Full Text Available Com base na literatura envolvendo educação na área de negócios, bem como nos achados de pesquisadores da área de desenvolvimento de recursos humanos e considerando as necessidades educacionais e de treinamento no ambiente de trabalho, este estudo foca a análise da metacognição e propensão de estudantes-executivos (alunos adultos trabalhadores em participar de disciplinas oferecidas on-line relacionadas a programas de MBA com ênfase em Contabilidade e áreas afins, além de explorar quais conteúdos específicos podem estar relacionados a esse fenômeno. O crescimento da oferta de cursos on-line, considerando a flexibilidade e adaptabilidade que essa modalidade de ensino permite, reforça a importância da compreensão dos fatores que influenciam a propensão à participação. Segundo dados do Anuário Brasileiro Estatístico de EAD 2007, um em cada 80 brasileiros estudoupor EAD em 2006. Foram cerca 2.279.000 alunos a distância matriculados em vários tipos (ensino credenciado, educação corporativa e em outros projetos nacionais e regionais dentre os 889 cursos a distância (credenciados pelo Sistema de Ensino - MEC e conselhos estaduais de educação. Esses números confirmam a importância de se examinar esse tema. Foi estudada uma amostra composta de 189 alunos de pós-graduação matriculados em programas de MBA em Contabilidade, no formato presencial, oferecido por reconhecida instituição brasileira de ensino e pesquisa (a Fundação Instituto de Pesquisas Contábeis, Atuariais e Financeiras - FIPECAFI, órgão de apoio ao Departamento de Contabilidade e Atuária da FEA/USP. Além da análise estatística descritiva, estudos e testes de correlação, de comparação de médias e análise de conglomerados foram conduzidos para apoiar a discussão e resposta às questões de pesquisa aqui estabelecidas. De forma integrada, os resultados reforçam a premissa de que o conteúdo de disciplinas possui papel relevante na propens

  8. Anti-leishmanial and structure-activity relationship of ring substituted 3-phenyl-1-(1,4-di-N-oxide quinoxalin-2-yl-2-propen-1-one derivatives

    Directory of Open Access Journals (Sweden)

    Asunción Burguete

    2008-12-01

    Full Text Available A series of ring substituted 3-phenyl-1-(1,4-di-N-oxide quinoxalin-2-yl-2-propen-1-one derivatives were synthesized and tested for in vitro leishmanicidal activity against amastigotes of Leishmania amazonensis in axenical cultures and murine infected macrophages. Structure-activity relationships demonstrated the importance of a radical methoxy at position R3', R4' and R5'. (2E-3-(3,4,5-trimethoxy-phenyl-1-(3,6,7-trimethyl-1,4-dioxy-quinoxalin-2-yl-propenone was the most active. Cytotoxicity on macrophages revealed that this product was almost six times more active than toxic.

  9. ON THE FORMATION AND ISOMER SPECIFIC DETECTION OF PROPENAL (C{sub 2}H{sub 3}CHO) AND CYCLOPROPANONE (c-C{sub 3}H{sub 4}O) IN INTERSTELLAR MODEL ICES—A COMBINED FTIR AND REFLECTRON TIME-OF-FLIGHT MASS SPECTROSCOPIC STUDY

    Energy Technology Data Exchange (ETDEWEB)

    Abplanalp, Matthew J.; Borsuk, Aleca; Jones, Brant M.; Kaiser, Ralf I., E-mail: ralfk@hawaii.edu [W. M. Keck Research Laboratory in Astrochemistry, University of Hawaii at Manoa, Honolulu, Hawaii, HI, 96822 (United States)

    2015-11-20

    The formation routes of two structural isomers—propenal (C{sub 2}H{sub 3}CHO) and cyclopropanone (c-C{sub 3}H{sub 4}O)—were investigated experimentally by exposing ices of astrophysical interest to energetic electrons at 5.5 K thus mimicking the interaction of ionizing radiation with interstellar ices in cold molecular clouds. The radiation-induced processing of these ices was monitored online and in situ via Fourier Transform Infrared spectroscopy and via temperature programmed desorption exploiting highly sensitive reflectron time-of-flight mass spectrometry coupled with single photon ionization in the post irradiation phase. To selectively probe which isomer(s) is/are formed, the photoionization experiments were conducted with 10.49 and 9.60 eV photons. Our studies provided compelling evidence on the formation of both isomers—propenal (C{sub 2}H{sub 3}CHO) and cyclopropanone (c-C{sub 3}H{sub 4}O)—in ethylene (C{sub 2}H{sub 4})—carbon monoxide (CO) ices forming propenal and cyclopropanone at a ratio of (4.5 ± 0.9):1. Based on the extracted reaction pathways, the cyclopropanone molecule can be classified as a tracer of a low temperature non-equilibrium chemistry within interstellar ices involving most likely excited triplet states, whereas propenal can be formed at ultralow temperatures, but also during the annealing phase via non-equilibrium as well as thermal chemistry (radical recombination). Since propenal has been detected in the interstellar medium and our laboratory experiments demonstrate that both isomers originated from identical precursor molecules our study predicts that the hitherto elusive second isomer—cyclopropanone—should also be observable toward those astronomical sources such as Sgr B2(N) in which propenal has been detected.

  10. The effect of the pore structure of medium-pore zeolites on the dehydroisomerization of n-butane: A comparison of Pt-FER, Pt-TON and Pt-ZSM5

    NARCIS (Netherlands)

    Pirngruber, G.D.; Zinck, O.P.E.; Seshan, Kulathuiyer; Lercher, J.A.

    2000-01-01

    The catalytic dehydroisomerization of n-butane over Pt–ZSM5, Pt–TON, and Pt–FER was investigated. Pt–ZSM5 showed the highest yield and selectivity to isobutene. Most of the by-products of Pt–ZSM5 were formed by oligomerization/cracking of butene, while acid-catalyzed cracking and metal-catalyzed

  11. Human dosimetry of carbon-11 labeled N-butan-2-yl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide extrapolated from whole-body distribution kinetics and radiometabolism in rats

    DEFF Research Database (Denmark)

    Luoto, Pauliina; Laitinen, Iina; Suilamo, Sami

    2010-01-01

    Carbon-11 labeled N-butan-2-yl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide ([11C]PK11195) is a peripheral benzodiazepine receptor (PBR) antagonist that is used as a positron emission tomography (PET) radiopharmaceutical for neuroinflammatory imaging. This study was designed to investigate...

  12. Thermodynamic Property Surfaces for Adsorption of R507A, R134a, and n -Butane on Pitch-Based Carbonaceous Porous Materials

    KAUST Repository

    Chakraborty, Anutosh

    2010-10-01

    The thermodynamic property surfaces of R507A, R134a, and n-butane on pitch-based carbonaceous porous material (Maxsorb III) are developed from rigorous classical thermodynamics and experimentally measured adsorption isotherm data. These property fields enable us to compute the entropy, enthalpy, internal energy, and heat of adsorption as a function of pressure, temperature, and the amount of adsorbate. The entropy and enthalpy maps are necessary for the analysis of adsorption cooling cycle and gas storage. We have shown here that it is possible to plot an adsorption cooling cycle on the temperature-entropy (T-s) and enthalpy-uptake (h-x) maps. Copyright © Taylor and Francis Group, LLC 2010.

  13. Kinetics of phosphotungstic acid catalyzed oxidation of propan-1,3-diol and butan-1,4-diol by N-chlorosaccharin

    Directory of Open Access Journals (Sweden)

    Sanjay Kumar Singh

    2011-09-01

    Full Text Available The kinetic studies of N-chlorosaccharin (NCSA oxidation of propan-1,3-diol and butan-1,4-diol have been reported in presence of phophotungstic acid and in aqueous acetic acid medium. The reactions follow first-order in NCSA and one to zero order with respect to substrate and phosphotungstic acid. Increase in the concentration of added perchloric acid increases the rate of oxidation. A negative effect on the oxidation rate is observed for solvent whereas the ionic strength does not influence the rate of reaction. Addition of the reaction product, saccharin, exhibited retarding effect. Various activation parameters have been evaluated. The products of the reactions were identified as the corresponding aldehydes. A suitable scheme of mechanism consistent with the experimental results has been proposed.

  14. Thermodynamic Property Surfaces for Adsorption of R507A, R134a, and n -Butane on Pitch-Based Carbonaceous Porous Materials

    KAUST Repository

    Chakraborty, Anutosh; Saha, Bidyut Baran; Ng, Kim Choon; El-Sharkawy, Ibrahim I.; Koyama, Shigeru

    2010-01-01

    The thermodynamic property surfaces of R507A, R134a, and n-butane on pitch-based carbonaceous porous material (Maxsorb III) are developed from rigorous classical thermodynamics and experimentally measured adsorption isotherm data. These property fields enable us to compute the entropy, enthalpy, internal energy, and heat of adsorption as a function of pressure, temperature, and the amount of adsorbate. The entropy and enthalpy maps are necessary for the analysis of adsorption cooling cycle and gas storage. We have shown here that it is possible to plot an adsorption cooling cycle on the temperature-entropy (T-s) and enthalpy-uptake (h-x) maps. Copyright © Taylor and Francis Group, LLC 2010.

  15. Chemoselective biohydrogenation of chalcone (2{Epsilon})-3-(1,3-benzodioxole-5-yl)-1-phenyl-2-propen-1-one mediated by baker yeasts immobilized in polymeric supports; Bioidrogenacao quimioseletiva da chalcona (2{Epsilon})-3-(1,3-benzodioxol-5-il)-1-fenil-2-propen-1-ona mediada por fermentos de pao imobilizado em suportes polimericos

    Energy Technology Data Exchange (ETDEWEB)

    Mundstock, Flavia L.S.; Silva, Vanessa D.; Nascimento, Maria da G., E-mail: mundstock@qmc.ufsc.b [Universidade Federal de Santa Catarina (DQ/UFSC), Florianopolis, SC (Brazil). Dept. de Quimica

    2009-07-01

    In this study, the yeast Saccharomyces cerevisiae, baker's yeast (BY) was immobilized in poly(ethylene oxide) (PEO), poly(vinyl alcohol) (PVA), sodium caseinate (SC), gelatin (G) films and in agar (A) and gelatin (G) gels, and used as a biocatalyst in the biohydrogenation reaction of (2{Epsilon})-3-(1,3-benzodioxyl-5-yl)-1-phenyl-2-propen-1-one (1). The transformation of (1) into the corresponding dehydro chalcone (2) through biohydrogenation reactions was carried out in n-hexane at 25 or 35 deg C, for 4-48 h reaction. The product conversion, under different experimental conditions, was evaluated by hydrogen nuclear magnetic resonance, {sup 1}H NMR.The highest conversion degrees were achieved using BY immobilized in agar gel, (29-47%), depending also on the temperature. Using BY immobilized in PEO, PVA, SC and G films, the conversion into (2) was lower (0-21%). The results show the feasibility of the use of BY immobilized in polymeric materials to reduce a,b-unsaturated carbonyl compounds. (author)

  16. THERMODYNAMIC PROPERTIES HF 298, S 298, AND CP(T) FOR 2-FLUORO-2-METHYLPROPANE, HF 298 OF FLUORINATED ETHANES, AND GROUP ADDITIVITY FOR FLUOROALKANES. (R824970)

    Science.gov (United States)

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  17. Field experiences using acrolein (2-propenal) for control of SRB and MIC in an offshore production flowline and onshore production facility in Western Australia

    Energy Technology Data Exchange (ETDEWEB)

    Shield, M.; Charlesworth, M.; Paakkonen, S.

    2006-03-15

    Acrolein, 2-propenal, was evaluated as a microbiocide for control of sulphate-reducing bacteria (SRB) in a sub-sea pipeline and an onshore process plant operated by ChevronTexaco Australia Pty Ltd (CVX) in the North West Shelf (NWS) of Australia. An initial trial compared the efficacy of acrolein with that of a glutaraldehyde, quaternary amine blend (GQB) for control of SRB implicated in microbiologically induced corrosion (MIC) of the sub-sea pipeline. Based on improved performance, acrolein subsequently replaced the GQB for routine microbiocide treatment of the pipeline. In addition, a plant trial assessed the impact of acrolein supplementation of the existing tetrakishydroxy-methyl phosphonium sulphate (THPS) microbiocide programme for control of SRB in process plant operations. This paper overviews both the pipeline and plant trials as well as the programme implementation of acrolein microbiocide for routine pipeline treatment. In addition to an improved performance and safety profile, complete conversion of the microbiocide programme to acrolein is projected to result in direct savings of 40%, with further potential for secondary operational cost savings. on behalf of Ampol and Caltex; and, in 1964, the company discovered oil in commercial quantities on Barrow Island (BWI) off the North West Shelf of Australia. Today, CVX continues hydrocarbon production operations on BWI with over 300 million barrels produced since inception. BWI volumes have been augmented since 1989 through hydrocarbon recovery operations near Thevenard Island (TVI), a small island located 25 km north-north west of Onslow. To date, more than 146 million barrels have been processed through facilities on TVI. With the process plant covering only a small corner of the island, the majority of land mass on TVI is classified as a nature reserve for the protection of plants and animals. Important wildlife found on the island include green and flatback turtles that nest on the islands beaches. In

  18. Papel das relações interorganizacionais e da capacidade de inovação na propensão para exportar Role of interorganizational relationship and innovation capability for propensity to export

    Directory of Open Access Journals (Sweden)

    Dirk Michael Boehe

    2011-04-01

    Full Text Available Os recursos organizacionais, como fatores internos que impulsionam o desempenho das organizações, constituem também uma base conceitual para explicar a propensão para exportar das organizações. Esta pesquisa apresenta algumas hipóteses em que alguns recursos, tais como a capacidade de inovação, o tamanho da empresa, a afiliação da empresa a uma associação local, a orientação para o mercado e a capacidade de relacionamento com fornecedores, são positivamente associados com a propensão para exportar. Utilizando-se da técnica de regressão logística multinominal e de cruzamentos com testes Chi²; em uma amostra de 223 empresas do setor moveleiro do Rio Grande do Sul, sendo 96 exportadoras e 127 não-exportadoras, identificaram-se dois grandes fatores relevantes na propensão para exportar: o tamanho das e as relações interorganizacionais locais. Com base nos resultados, ressalta-se que, dentre os recursos estudados, as relações interorganizacionais locais são provavelmente mais importantes, pois podem possibilitar às empresas o acesso a diversos outros tipos de recursos e capacidades.Organizational resources, such as internal factors that drive the performance of organizations, indicate also a conceptual basis for explaining the propensity to export. This study presents some hypotheses in which some resources such as innovation capability, the size of the company, the company's affiliation to a local association, market orientation and relationships with suppliers are positively associated with the propensity to export. Using a logistic regression and Chi square tests on a sample of 223 furniture companies located in the state of Rio Grande do Sul (Brazil, 96 of them exporters, was identified two major factors relevant to the propensity to export. First, the relationship between size of companies and propensity to export is highly significant. Second, local interorganizational relationships present a significant effect on

  19. Poly[(μ4-biphenyl-3,3′-dicarboxylatobis[μ2-1,1′-(butane-1,4-diyldiimidazole](μ2-oxalatodimanganese(II

    Directory of Open Access Journals (Sweden)

    Bao-Yong Zhu

    2010-10-01

    Full Text Available In the title coordination compound, [Mn2(C14H8O4(C2O4(C10H14N42]n, the biphenyl-3,3′-dicarboxylate and oxalate anions, both situated on inversion centres, function in a bridging mode, linking the dinuclear MnII atoms into wave-like layers. Each 1,1′-(1,4-butane-1,4-diyldiimidazole ligand coordinates to two MnII atoms located in adjacent layers via Mn—N coordination bonds, giving a three-dimensional network. As the methylene groups can bend freely relative to each other due to the C atoms connected via single bonds, the 1,1′-(butane-1,4-diyldiimidazole ligand forms an S-shaped conformation, which makes the void in the three-dimensional network distorted.

  20. Understanding of the structure activity relationship of PtPd bimetallic catalysts prepared by surface organometallic chemistry and ion exchange during the reaction of iso-butane with hydrogen

    KAUST Repository

    Al-Shareef, Reem A.; Harb, Moussab; Saih, Youssef; Ould-Chikh, Samy; Roldan, Manuel A.; Anjum, Dalaver H.; Guyonnet, Elodie Bile; Candy, Jean-Pierre; Jan, Deng-Yang; Abdo, Suheil F.; Aguilar-Tapia, Antonio; Proux, Olivier; Hazemann, Jean-Louis; Basset, Jean-Marie

    2018-01-01

    Well-defined silica supported bimetallic catalysts Pt100-x Pdx were prepared by Surface Organometallic Chemistry (SOMC) and Ionic-Exchange (IE) methods. For all investigated catalysts, iso-butane reaction with hydrogen under differential conditions led to the formation of methane and propane, n-butane, and traces of iso-butylene. The total reaction rate decreased with increasing the Pd loading for both catalysts series as a result of decreasing turnover rate of both isomerization and hydrogenolysis. In the case of Pt100-x Pdx(SOMC) catalysts, the experimental results in combination with DFT calculations suggested a selective coverage of Pt (1 0 0) surface by agglomerated Pd atoms like “islands”, assuming that each metal roughly keeps its intrinsic catalytic properties with relatively small electron transfer from Pt to Pd in the case of Pt-rich sample and from Pd to Pt in the case of Pd-rich sample. For the PtPd catalysts prepared by IE, the catalytic behavior could be explained by the formation of a surface alloy between Pt and Pd in the case of Pd-rich sample and by the segregation of a small amount of Pd on the surface in the case of Pt-rich sample, as demonstrated by TEM, EXAFS and DFT. The catalytic results were explained by a structure activity relationship based on the proposed mechanism of CH bond and CC bond activation and cleavage for iso-butane hydrogenolysis, isomerization, cracking and dehydrogenation.

  1. Understanding of the structure activity relationship of PtPd bimetallic catalysts prepared by surface organometallic chemistry and ion exchange during the reaction of iso-butane with hydrogen

    KAUST Repository

    Alshareef, Reem Abdul aziz Hamed

    2018-04-25

    Well-defined silica supported bimetallic catalysts Pt100-x Pdx were prepared by Surface Organometallic Chemistry (SOMC) and Ionic-Exchange (IE) methods. For all investigated catalysts, iso-butane reaction with hydrogen under differential conditions led to the formation of methane and propane, n-butane, and traces of iso-butylene. The total reaction rate decreased with increasing the Pd loading for both catalysts series as a result of decreasing turnover rate of both isomerization and hydrogenolysis. In the case of Pt100-x Pdx(SOMC) catalysts, the experimental results in combination with DFT calculations suggested a selective coverage of Pt (1 0 0) surface by agglomerated Pd atoms like “islands”, assuming that each metal roughly keeps its intrinsic catalytic properties with relatively small electron transfer from Pt to Pd in the case of Pt-rich sample and from Pd to Pt in the case of Pd-rich sample. For the PtPd catalysts prepared by IE, the catalytic behavior could be explained by the formation of a surface alloy between Pt and Pd in the case of Pd-rich sample and by the segregation of a small amount of Pd on the surface in the case of Pt-rich sample, as demonstrated by TEM, EXAFS and DFT. The catalytic results were explained by a structure activity relationship based on the proposed mechanism of CH bond and CC bond activation and cleavage for iso-butane hydrogenolysis, isomerization, cracking and dehydrogenation.

  2. Phase equilibrium at high pressure of heavy oil fraction in propane and n-butane; Equilibrio de fases em alta pressao de fracoes pesadas do petroleo em propano e n-butano

    Energy Technology Data Exchange (ETDEWEB)

    Canziani, Daniel B.; Ndiaye, Papa M. [Universidade Federal do Parana (UFPR), Curitiba, PR (Brazil); Oliveira, Jose V. de; Corazza, Marcos L. [Universidade Regional Integrada, Erechim, RS (Brazil)

    2008-07-01

    One of the biggest challenge of the oil industry is the preparation and adequacy of existing refineries for processing of heavy oil in large quantities. Specifically aims of this work is to measure phase equilibria date at high-pressure with systems involving GOP (Heavy Gasoil), RAT (Atmospheric Residue) and Marlim (crude oil) in n-butane and propane, using the static-synthetic method. The influence of the addition of methanol on the transition pressure is also investigated. With regard to tests made with the use of methanol as a co-solvent, those with higher levels of methanol (5% in mass fraction) had presented transition pressures a little higher than systems with 1% of methanol and systems without methanol. The systems without methanol showed similar pressures. All systems are PT diagrams of the type Lower Critical Solution Temperature (LCST). Among the solvents used the n-butane shown to be the most soluble for all solutes, in particular for the RAT. With the n-butane were observed only liquid-vapour equilibria, and with propane the liquid-liquid, liquid-liquid-vapour and liquid-liquid-fluid equilibria could be observed. The system Propane-5%Methanol-GOP presented liquid-liquid-vapour transitions, indicates be a diagram of the type V (according to the classification of van Konynenburg and Scott). (author)

  3. Catalytic Oxidation of Propene over Pd Catalysts Supported on CeO2, TiO2, Al2O3 and M/Al2O3 Oxides (M = Ce, Ti, Fe, Mn

    Directory of Open Access Journals (Sweden)

    Sonia Gil

    2015-04-01

    Full Text Available In the following work, the catalytic behavior of Pd catalysts prepared using different oxides as support (Al2O3, CeO2 and TiO2 in the catalytic combustion of propene, in low concentration in excess of oxygen, to mimic the conditions of catalytic decomposition of a volatile organic compound of hydrocarbon-type is reported. In addition, the influence of different promoters (Ce, Ti, Fe and Mn when added to a Pd/Al2O3 catalyst was analyzed. Catalysts were prepared by the impregnation method and were characterized by ICP-OES, N2 adsorption, temperature-programmed reduction, temperature-programmed oxidation, X-ray diffraction, X-ray photoelectron spectroscopy and transmission electron microscopy. Catalyst prepared using CeO2 as the support was less easily reducible, due to the stabilization effect of CeO2 over the palladium oxides. Small PdO particles and, therefore, high Pd dispersion were observed for all of the catalysts, as confirmed by XRD and TEM. The addition of Ce to the Pd/Al2O3 catalysts increased the metal-support interaction and the formation of highly-dispersed Pd species. The addition of Ce and Fe improved the catalytic behavior of the Pd/Al2O3 catalyst; however, the addition of Mn and Ti decreased the catalytic activity in the propene oxidation. Pd/TiO2 showed the highest catalytic activity, probably due to the high capacity of this catalyst to reoxidize Pd into PdO, as has been found in the temperature-programmed oxidation (TPO experiments.

  4. Incineration of oxygenated volatile organic compounds. Experimental study and kinetic modeling of the oxidation of methyl ethyl ketone, ethyl acetate and butan-2-ol in methane flames; Incineration de composes organiques volatils oxygenes. Etude experimentale et modelisation cinetique de l'oxydation de la methyl ethyl cetone, de l'acetate d'ethyle et du butan-2-ol dans des flammes de methane

    Energy Technology Data Exchange (ETDEWEB)

    Decottignies, V

    2000-12-01

    This work deals with the low pressure (0.05 atm) degradation of three volatile organic compounds (VOCs): methyl-ethyl-ketone, ethyl acetate and butan-2-ol, in premixed stoichiometric laminar methane flames seeded with 1 to 3% of each VOC. Molar fraction profiles of species have been obtained using microprobe sampling coupled with a gas chromatography and a mass spectroscopy analysis. Temperature profiles have been obtained using the covered thermocouple technique in the presence of the microprobe. The addition of a VOC in the initial reagents mixture leads to an increase of the quantity of intermediate hydrocarbon compounds and in particular of some soot precursor species. The degradation of VOCs leads to the formation of oxygenated intermediates like methanol, dimethyl-ether, acetaldehyde, propanal, acetone and vinyl acetate, the type of VOC having an effect on the quantities produced. The degradation of a VOC can lead to the formation of more toxic or polluting compounds (methyl vinyl ketone, acetic acid and acrolein) than the VOC itself. In the conditions of the study, the intermediate compounds are totally destructed inside the reactional area of the flame front and are no more present in the burnt gases. Sub-mechanisms of VOC oxidation have been developed using experimental observations and the most recent recommendations of the literature. These sub-mechanisms comprise 49 species involved in 241 elementary reactions. Their validation has been performed by comparing the experiment with the kinetic modeling on the molar fraction profiles of the detected species. Experimental data are well reproduced by the model for most species. The addition of a VOC inside the initial reagents mixture creates an important reactivity increase, in particular in the case of butan-2-ol seeded flames. The analysis of reactional ways has permitted to draw out the main reactions responsible for the degradation of the 3 VOCs and the ways of formation and consumption of the

  5. Bis(1,10-phenanthroline-κ2N,N′(sulfato-κ2O,O′cobalt(II butane-2,3-diol monosolvate

    Directory of Open Access Journals (Sweden)

    Shi-Juan Wang

    2011-04-01

    Full Text Available In the title compound, [Co(SO4(C12H8N22]·C4H10O2, the Co2+ ion has a distorted octahedral coordination environment composed of four N atoms from two chelating 1,10-phenanthroline ligands and two O atoms from an O,O′-bidentate sulfate anion. The dihedral angle between the two chelating N2C2 groups is 83.48 (1°. The Co2+ ion, the S atom and the mid-point of the central C—C bond of the butane-2,3-diol solvent molecule are situated on twofold rotation axes. The molecules of the complex and the solvent molecules are held together by pairs of symmetry-related O—H...O hydrogen bonds with the uncoordinated O atoms of the sulfate ions as acceptors. The solvent molecule is disordered over two sets of sites with site occupancies of 0.40 and 0.60.

  6. A novel radial anode layer ion source for inner wall pipe coating and materials modification--hydrogenated diamond-like carbon coatings from butane gas.

    Science.gov (United States)

    Murmu, Peter P; Markwitz, Andreas; Suschke, Konrad; Futter, John

    2014-08-01

    We report a new ion source development for inner wall pipe coating and materials modification. The ion source deposits coatings simultaneously in a 360° radial geometry and can be used to coat inner walls of pipelines by simply moving the ion source in the pipe. Rotating parts are not required, making the source ideal for rough environments and minimizing maintenance and replacements of parts. First results are reported for diamond-like carbon (DLC) coatings on Si and stainless steel substrates deposited using a novel 360° ion source design. The ion source operates with permanent magnets and uses a single power supply for the anode voltage and ion acceleration up to 10 kV. Butane (C4H10) gas is used to coat the inner wall of pipes with smooth and homogeneous DLC coatings with thicknesses up to 5 μm in a short time using a deposition rate of 70 ± 10 nm min(-1). Rutherford backscattering spectrometry results showed that DLC coatings contain hydrogen up to 30 ± 3% indicating deposition of hydrogenated DLC (a-C:H) coatings. Coatings with good adhesion are achieved when using a multiple energy implantation regime. Raman spectroscopy results suggest slightly larger disordered DLC layers when using low ion energy, indicating higher sp(3) bonds in DLC coatings. The results show that commercially interesting coatings can be achieved in short time.

  7. Preparation of Polyvinyl Alcohol/Xylan Blending Films with 1,2,3,4-Butane Tetracarboxylic Acid as a New Plasticizer

    Directory of Open Access Journals (Sweden)

    Cun-dian Gao

    2014-01-01

    Full Text Available Miscible, biodegradable polyvinyl alcohol (PVA/xylan blending films were firstly prepared in the range of the PVA/xylan weight ratio from 1 : 2 to 3 : 1 by casting method using 1,2,3,4-butane tetracarboxylic acid (BTCA as a new plasticizer. The properties of blending films as functions of PVA/xylan weight ratio and BTCA amount were discussed. XRD and FT-IR were applied to characterize the blending films. Experimental results indicated that tensile strength (TS and elongation at break (EAB of blending films decreased along with the decrease of the PVA/xylan weight ratio. Both of TS and EAB firstly increased and then decreased as the amount of BTCA was increased. More importantly, blending films were biodegraded almost by 41% with an addition of 10% BTCA in blending films within 30 days in soil. For all hydroxyl functionalized polymers (xylan and PVA, their molecular interactions and miscibility with BTCA endowed blending films with the biocompatibility and biodegradability. Therefore, these blending films are environmentally friendly materials which could be applied as biodegradable plastics for food packaging and agricultural applications.

  8. Experimental and theoretical studies of (FT-IR, FT-Raman, UV-Visible and DFT) 4-(6-methoxynaphthalen-2-yl) butan-2-one.

    Science.gov (United States)

    Govindasamy, P; Gunasekaran, S

    2015-01-01

    In this work, the vibrational spectral analysis was carried out by using FT-Raman and FT-IR spectroscopy in the range 4000-50 cm(-1) and 4000-450 cm(-1) respectively for 4-(6-methoxynaphthalen-2-yl) butan-2-one (abbreviated as 4MNBO) molecule. Theoretical calculations were performed by density functional theory (DFT/B3LYP) method using 6-311G(d,p) and 6-311++G(d,p) basis sets. The difference between the observed and calculated wavenumber value of most of the fundamentals were very small. The complete vibrational assignments of wavenumbers were made on the basis of potential energy distribution (PED). The UV-Vis spectrum was recorded in the methanol solution. The energy, wavelength and oscillator's strength were calculated by Time Dependent Density Functional Theory (TD-DFT) and matched to the experimental findings. The intramolecular contacts have been interpreted using natural bond orbital (NBO) and natural localized molecular orbital (NLMO) analysis. Thermodynamic properties of 4MNBO at different temperature have been calculated. The molecular electrostatic potential surface (MESP) and Frontier molecular orbital's (FMO's) analysis were investigated using theoretical calculations. Copyright © 2015 Elsevier B.V. All rights reserved.

  9. Crystal structures of (RS-N-[(1R,2S-2-benzyloxy-1-(2,6-dimethylphenylpropyl]-2-methylpropane-2-sulfinamide and (RS-N-[(1S,2R-2-benzyloxy-1-(2,4,6-trimethylphenylpropyl]-2-methylpropane-2-sulfinamide: two related protected 1,2-amino alcohols

    Directory of Open Access Journals (Sweden)

    Matthew R. Carbone

    2014-11-01

    Full Text Available The title compounds, C22H31NO2S, (1, and C23H33NO2S, (2, are related protected 1,2-amino alcohols. They differ in the substituents on the benzene ring, viz. 2,6-dimethylphenyl in (1 and 2,4,6-trimethylphenyl in (2. The plane of the phenyl ring is inclined to that of the benzene ring by 28.52 (7° in (1 and by 44.65 (19° in (2. In the crystal of (1, N—H...O=S and C—H...O=S hydrogen bonds link molecules, forming chains along [100], while in (2, similar hydrogen bonds link molecules into chains along [010]. The absolute structures of both compounds were determined by resonance scattering.

  10. Theoretical Kinetic Study of the Unimolecular and H-Assisted Keto-Enol Tautomerism Propen-2-ol ↔Acetone. Pressure Effects and Implications in the Pyrolysis and Oxidation of tert- And 2-Butanol

    KAUST Repository

    Grajales Gonzalez, Edwing Javier

    2018-05-01

    The need for renewable and cleaner sources of energy has made biofuels an interesting alternative to fossil fuels, especially in the case of butanol isomers, with their favorable blend properties and low hygroscopicity. Although C4 alcohols are prospective fuels, some key reactions governing their pyrolysis and combustion have not been adequately studied, leading to incomplete kinetic models. Butanol reactions kinetics is poorly understood. Specifically, the unimolecular and H-assisted tautomerism of propen-2-ol to acetone, which are included in butanol combustion kinetic models, are assigned rate parameters based on the analogous unimolecular tautomerism vinyl alcohol ↔ acetaldehyde and H addition to the double bound of iso-butene, respectively. In an attempt to update current kinetic models for tert- and 2-butanol, a theoretical kinetic study of the unimolecular and H-assisted tautomerism, i-C3H5OH⟺CH3COCH3 and i-C3H5OH+Ḣ⟺CH3COCH3+Ḣ, was carried out by means of CCSD(T,FULL)/aug-cc-pVTZ//CCSD(T)/6-31+G(d,p) and CCSD(T)/aug-cc-pVTZ//M062X/cc-pVTZ ab initio calculations, respectively. For H-assisted tautomerism, the reaction takes place in two consecutive steps: i-C3H5OH+Ḣ⟺CH3ĊOHCH3 and CH3ĊOHCH3⟺CH3COCH3+Ḣ. Multistructural torsional anharmonicity and variational transition state theory were considered in a wide temperature and pressure range (200 K – 3000 K, 0.1 kPa – 108 kPa). It was observed that decreasing pressure leads to a decrease in rate constants, describing the expected falloff behavior for both isomerizations. Results for unimolecular tautomerism differ from vinyl alcohol ↔ acetaldehyde analogue reactions, which shows lower rate constant values. Tunneling turned out to be important, especially at low temperatures. Accordingly, pyrolysis simulations in a batch reactor for tert- and 2-butanol with computed unimolecular rate constants showed important differences in comparison with previous results, such as larger acetone yield and

  11. Selective and regular localization of accessible Pt nanoparticles inside the walls of an ordered silica: Application as a highly active and well-defined heterogeneous catalyst for propene and styrene hydrogenation reactions

    KAUST Repository

    Boualleg, Malika

    2011-12-01

    We describe here an original methodology related to the "build-the-bottle-around-the-ship" approach yielding a highly ordered silica matrix containing regularly distributed Pt nanoparticles (NPs) located inside the silica walls, Pt@{walls}SiO2. The starting colloidal solution of crystalline Pt nanoparticles was obtained from Pt(dba)2 (dba = dibenzylidene acetone) and 3-chloropropylsilane. The resulting nanoparticles (diameter: 2.0 ± 0.4 nm determined by HRTEM) resulted hydrophilic. The NPs present in the THF colloidal solution were incorporated inside the walls of a highly ordered 2D hexagonal mesoporous silica matrix via sol-gel process using a templating route with tetraethylorthosilicate, TEOS, as the silica source, and block copolymer (EthyleneOxide) 20(PropyleneOxide)70(EthyleneOxide)20 (Pluronic P123) as the structure-directing agent. Low-temperature calcination of the crude material at 593 K led to the final solid Pt@{walls}SiO2. Characterization by IR, HRTEM, BF-STEM and HAADF-STEM, SAXS, WAXS, XRD, XPS, H2 chemisorption, etc. of Pt@{walls}SiO2 confirmed the 2D hexagonal structuration and high mesoporosity (870 m2/g) of the material as well as the presence of stable 2-nm-sized crystalline Pt(0) NPs embedded inside the walls of the silica matrix. The material displayed no tendency to NPs sintering or leaching (Pt loading 0.3 wt.%) during its preparation. Pt@{walls}SiO2 was found to be a stable, selective and highly active hydrogenation catalyst. The catalytic performances in propene hydrogenation were tested under chemical regime conditions in a tubular flow reactor (278 K, propene/H2/He = 20/16/1.09 cm3/min, P tot = 1 bar) and were found superior to those of an homologous solid containing Pt NPs along its pore channels Pt@{pores}SiO2 and to those of a classical industrial catalysts Pt/Al2O3, (TOF = 2.3 s-1 vs. TOF = 0.90 and 0.92 s-1, respectively, calculated per surface platinum atoms). Pt@{walls}SiO2 also catalyzes fast and selective styrene

  12. Selective and regular localization of accessible Pt nanoparticles inside the walls of an ordered silica: Application as a highly active and well-defined heterogeneous catalyst for propene and styrene hydrogenation reactions

    KAUST Repository

    Boualleg, Malika; Norsic, Sé bastien; Baudouin, David; Sayah, Reine; Quadrelli, Elsje Alessandra; Basset, Jean-Marie; Candy, Jean Pierre; Dé lichè re, Pierre; Pelzer, Katrin; Veyre, Laurent; Thieuleux, Chloé

    2011-01-01

    We describe here an original methodology related to the "build-the-bottle-around-the-ship" approach yielding a highly ordered silica matrix containing regularly distributed Pt nanoparticles (NPs) located inside the silica walls, Pt@{walls}SiO2. The starting colloidal solution of crystalline Pt nanoparticles was obtained from Pt(dba)2 (dba = dibenzylidene acetone) and 3-chloropropylsilane. The resulting nanoparticles (diameter: 2.0 ± 0.4 nm determined by HRTEM) resulted hydrophilic. The NPs present in the THF colloidal solution were incorporated inside the walls of a highly ordered 2D hexagonal mesoporous silica matrix via sol-gel process using a templating route with tetraethylorthosilicate, TEOS, as the silica source, and block copolymer (EthyleneOxide) 20(PropyleneOxide)70(EthyleneOxide)20 (Pluronic P123) as the structure-directing agent. Low-temperature calcination of the crude material at 593 K led to the final solid Pt@{walls}SiO2. Characterization by IR, HRTEM, BF-STEM and HAADF-STEM, SAXS, WAXS, XRD, XPS, H2 chemisorption, etc. of Pt@{walls}SiO2 confirmed the 2D hexagonal structuration and high mesoporosity (870 m2/g) of the material as well as the presence of stable 2-nm-sized crystalline Pt(0) NPs embedded inside the walls of the silica matrix. The material displayed no tendency to NPs sintering or leaching (Pt loading 0.3 wt.%) during its preparation. Pt@{walls}SiO2 was found to be a stable, selective and highly active hydrogenation catalyst. The catalytic performances in propene hydrogenation were tested under chemical regime conditions in a tubular flow reactor (278 K, propene/H2/He = 20/16/1.09 cm3/min, P tot = 1 bar) and were found superior to those of an homologous solid containing Pt NPs along its pore channels Pt@{pores}SiO2 and to those of a classical industrial catalysts Pt/Al2O3, (TOF = 2.3 s-1 vs. TOF = 0.90 and 0.92 s-1, respectively, calculated per surface platinum atoms). Pt@{walls}SiO2 also catalyzes fast and selective styrene

  13. Inhibition of glycolysis and growth of colon cancer cells by 3-(3-pyridinyl-1-(4-pyridinyl-2-propen-1-one (3PO in combination with butyrate, 2-deoxy glucose, 3-bromopyruvate or biguanides

    Directory of Open Access Journals (Sweden)

    Lea MA

    2015-09-01

    Full Text Available Introduction: Glycolysis shows a positive correlation with growth of human colon cancer cells. PFKFB3 is an important enzyme regulating glycolysis in many tumor cells and presents a target for cancer chemotherapy. We studied the action of an inhibitor of PFKFB3, 3-(3-pyridinyl-1-(4-pyridinyl-2-propen-1-one (3PO, as a single agent and in combination with other molecules that affect glycolysis. Materials and methods: Effects on growth were studied in four human colon cancer cell lines. Glucose metabolism was monitored by uptake from the incubation medium and lactic acid production was judged by acidification of the medium. Induction of alkaline phosphatase served as a marker of differentiation. Results: Growth of colon cancer cells was inhibited by 3PO and butyrate but only butyrate induced activation of alkaline phosphatase. Although metformin and phenformin can increase glucose metabolism, they inhibit colon cancer cell growth and can exert additive inhibitory effects in combination with 3PO. Additive growth inhibitory effects with 3PO were also observed with two compounds that inhibit glycolysis: 2-deoxyglucose and 3-bromopyruvate. Conclusion: 3PO was an inhibitor of growth of colon cancer cells and may be a useful agent in combination with other drugs that inhibit colon cancer cell proliferation.

  14. Bipodal surface organometallic complexes with surface N-donor ligands and application to the catalytic cleavage of C-H and C-C bonds in n -Butane

    KAUST Repository

    Bendjeriou-Sedjerari, Anissa

    2013-11-27

    We present a new generation of "true vicinal" functions well-distributed on the inner surface of SBA15: [(Sî - Si-NH 2)(≡Si-OH)] (1) and [(≡Si-NH2)2] (2). From these amine-modified SBA15s, two new well-defined surface organometallic species [(≡Si-NH-)(≡Si-O-)]Zr(CH2tBu) 2 (3) and [(≡Si-NH-)2]Zr(CH2tBu) 2 (4) have been obtained by reaction with Zr(CH2tBu) 4. The surfaces were characterized with 2D multiple-quantum 1H-1H NMR and infrared spectroscopies. Energy-filtered transmission electron microscopy (EFTEM), mass balance, and elemental analysis unambiguously proved that Zr(CH2tBu)4 reacts with these vicinal amine-modified surfaces to give mainly bipodal bis(neopentyl)zirconium complexes (3) and (4), uniformly distributed in the channels of SBA15. (3) and (4) react with hydrogen to give the homologous hydrides (5) and (6). Hydrogenolysis of n-butane catalyzed by these hydrides was carried out at low temperature (100 C) and low pressure (1 atm). While (6) exhibits a bis(silylamido)zirconium bishydride, [(≡Si-NH-)2]Zr(H) 2 (6a) (60%), and a bis(silylamido)silyloxozirconium monohydride, [(≡Si-NH-)2(≡Si-O-)]ZrH (6b) (40%), (5) displays a new surface organometallic complex characterized by an 1H NMR signal at 14.46 ppm. The latter is assigned to a (silylimido)(silyloxo)zirconium monohydride, [(≡Si-Nî)(≡Si-O-)]ZrH (5b) (30%), coexistent with a (silylamido)(silyloxo)zirconium bishydride, [(≡Si-NH-)(≡Si-O-)] Zr(H)2 (5a) (45%), and a silylamidobis(silyloxo)zirconium monohydride, [(≡Si-NH-)(≡Si-O-)2]ZrH (5c) (25%). Surprisingly, nitrogen surface ligands possess catalytic properties already encountered with silicon oxide surfaces, but interestingly, catalyst (5) with chelating [N,O] shows better activity than (6) with chelating [N,N]. © 2013 American Chemical Society.

  15. Bipodal surface organometallic complexes with surface N-donor ligands and application to the catalytic cleavage of C-H and C-C bonds in n -Butane

    KAUST Repository

    Bendjeriou-Sedjerari, Anissa; Azzi, Joachim; Abou-Hamad, Edy; Anjum, Dalaver H.; Pasha, Fahran A.; Huang, Kuo-Wei; Emsley, Lyndon; Basset, Jean-Marie

    2013-01-01

    We present a new generation of "true vicinal" functions well-distributed on the inner surface of SBA15: [(Sî - Si-NH 2)(≡Si-OH)] (1) and [(≡Si-NH2)2] (2). From these amine-modified SBA15s, two new well-defined surface organometallic species [(≡Si-NH-)(≡Si-O-)]Zr(CH2tBu) 2 (3) and [(≡Si-NH-)2]Zr(CH2tBu) 2 (4) have been obtained by reaction with Zr(CH2tBu) 4. The surfaces were characterized with 2D multiple-quantum 1H-1H NMR and infrared spectroscopies. Energy-filtered transmission electron microscopy (EFTEM), mass balance, and elemental analysis unambiguously proved that Zr(CH2tBu)4 reacts with these vicinal amine-modified surfaces to give mainly bipodal bis(neopentyl)zirconium complexes (3) and (4), uniformly distributed in the channels of SBA15. (3) and (4) react with hydrogen to give the homologous hydrides (5) and (6). Hydrogenolysis of n-butane catalyzed by these hydrides was carried out at low temperature (100 C) and low pressure (1 atm). While (6) exhibits a bis(silylamido)zirconium bishydride, [(≡Si-NH-)2]Zr(H) 2 (6a) (60%), and a bis(silylamido)silyloxozirconium monohydride, [(≡Si-NH-)2(≡Si-O-)]ZrH (6b) (40%), (5) displays a new surface organometallic complex characterized by an 1H NMR signal at 14.46 ppm. The latter is assigned to a (silylimido)(silyloxo)zirconium monohydride, [(≡Si-Nî)(≡Si-O-)]ZrH (5b) (30%), coexistent with a (silylamido)(silyloxo)zirconium bishydride, [(≡Si-NH-)(≡Si-O-)] Zr(H)2 (5a) (45%), and a silylamidobis(silyloxo)zirconium monohydride, [(≡Si-NH-)(≡Si-O-)2]ZrH (5c) (25%). Surprisingly, nitrogen surface ligands possess catalytic properties already encountered with silicon oxide surfaces, but interestingly, catalyst (5) with chelating [N,O] shows better activity than (6) with chelating [N,N]. © 2013 American Chemical Society.

  16. Role of the reaction intermediates in determining PHIP (parahydrogen induced polarization) effect in the hydrogenation of acetylene dicarboxylic acid with the complex [Rh (dppb)]+ (dppb: 1,4-bis(diphenylphosphino)butane)

    International Nuclear Information System (INIS)

    Reineri, F.; Aime, S.; Gobetto, R.; Nervi, C.

    2014-01-01

    This study deals with the parahydrogenation of the symmetric substrate acetylene dicarboxylic acid catalyzed by a Rh(I) complex bearing the chelating diphosphine dppb (1,4-bis(diphenylphosphino)butane). The two magnetically equivalent protons of the product yield a hyperpolarized emission signal in the 1 H-NMR spectrum. Their polarization intensity varies upon changing the reaction solvent from methanol to acetone. A detailed analysis of the hydrogenation pathway is carried out by means of density functional theory calculations to assess the structure of hydrogenation intermediates and their stability in the two solvents. The observed polarization effects have been accounted on the basis of the obtained structures. Insights into the lifetime of a short-lived reaction intermediate are also obtained

  17. catena-Poly[[[aquasilver(I]-μ-1,1′-(butane-1,4-diyldi-1H-imidazole-κ2N3:N3′] hemi(biphenyl-4,4′-dicarboxylate dihydrate

    Directory of Open Access Journals (Sweden)

    Zheyu Zhang

    2009-12-01

    Full Text Available In the title compound, {[Ag(C10H14N4(H2O](C14H8O40.5·2H2O}n, the AgI ion is three-coordinated by two N atoms from two independent 1,1′-(butane-1,4-diyldi-1H-imidazole (BBI ligands and one water O atom in a distorted T-shaped coordination geometry. The biphenyl-4,4′-dicarboxylate (BPDC dianions do not coordinate to AgI ions but act as counter-ions. The AgI ions are linked by BBI ligands, forming a zigzag chain. These chains are linked into a two-dimensional supramolecular architecture by O—H...O hydrogen-bonding interactions between water molecules and carboxylate O atoms of the BPDC dianions.

  18. Syntheses, structures and photoluminescent properties of Zn(Ⅱ)/Co(Ⅱ) coordination polymers based on flexible tetracarboxylate ligand of 5,5′-(butane-1,4-diyl)-bis(oxy)-di isophthalic acid

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Yan-Peng [Inner Mongolia Key Lab Chem & Phys Rare Earth Mat, College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021 (China); Department of Chemistry and Chemical Engineering, Ordos College of Inner Mongolia University, Ordos 017000 (China); Department of Chemistry and Chemical Engineering, Ordos Applied Technology College, Ordos 017000 (China); Guo, Le [Department of Chemistry and Chemical Engineering, Ordos College of Inner Mongolia University, Ordos 017000 (China); Department of Chemistry and Chemical Engineering, Ordos Applied Technology College, Ordos 017000 (China); Dong, Wei; Jia, Min; Zhang, Jing-Xue; Sun, Zhong [Inner Mongolia Key Lab Chem & Phys Rare Earth Mat, College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021 (China); Chang, Fei, E-mail: ndchfei@imu.edu.cn [Inner Mongolia Key Lab Chem & Phys Rare Earth Mat, College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021 (China)

    2016-08-15

    Three new mixed-ligand metal-organic frameworks based on 5,5′-(butane-1,4- diyl)-bis(oxy)-diisophthalic acid and transitional metal cations with the help of two ancillary bridging N-donor pyridyl and imidazole linkers, [Zn(L){sub 0.5}(4,4′-bpy)]·2(H{sub 2}O) (1), [M(L){sub 0.5}(bib)]·4(H{sub 2}O) (M = Zn (2), Co (3)), (4,4′-bpy=4,4′–bipyridine, bib=1,4-bis (1H-imidazol-1-yl)-butane), have been synthesized under solvothermal conditions. Their structures and properties were determined by single-crystal and powder X-ray diffraction analyses, IR spectra, elemental analyses and thermogravimetric analyses (TGA). Compounds 1–3 display a 3D 3-fold interpenetrated frameworks linked by the L{sup 4−} ligands, ancillary N-donor linkers and the free water molecules in the crystal lattice. Topological analysis reveals that 1–3 are a (4,4)-connected bbf topology net with the (6{sup 4}·8{sup 2})(6{sup 6}) topology. The effects of the L{sup 4−} anions, the N-donor ligands, and the metal ions on the structures of the coordination polymers have been discussed. Furthermore, luminescence properties and thermogravimetric properties of these compounds were investigated. - Graphical abstract: Three new compounds of MOFs have been prepared and characterized. The luminescence properties and thermogravimetric properties of compounds were investigated. Display Omitted.

  19. Incineration of oxygenated volatile organic compounds. Experimental study and kinetic modeling of the oxidation of methyl ethyl ketone, ethyl acetate and butan-2-ol in methane flames; Incineration de composes organiques volatils oxygenes. Etude experimentale et modelisation cinetique de l'oxydation de la methyl ethyl cetone, de l'acetate d'ethyle et du butan-2-ol dans des flammes de methane

    Energy Technology Data Exchange (ETDEWEB)

    Decottignies, V.

    2000-12-01

    This work deals with the low pressure (0.05 atm) degradation of three volatile organic compounds (VOCs): methyl-ethyl-ketone, ethyl acetate and butan-2-ol, in premixed stoichiometric laminar methane flames seeded with 1 to 3% of each VOC. Molar fraction profiles of species have been obtained using microprobe sampling coupled with a gas chromatography and a mass spectroscopy analysis. Temperature profiles have been obtained using the covered thermocouple technique in the presence of the microprobe. The addition of a VOC in the initial reagents mixture leads to an increase of the quantity of intermediate hydrocarbon compounds and in particular of some soot precursor species. The degradation of VOCs leads to the formation of oxygenated intermediates like methanol, dimethyl-ether, acetaldehyde, propanal, acetone and vinyl acetate, the type of VOC having an effect on the quantities produced. The degradation of a VOC can lead to the formation of more toxic or polluting compounds (methyl vinyl ketone, acetic acid and acrolein) than the VOC itself. In the conditions of the study, the intermediate compounds are totally destructed inside the reactional area of the flame front and are no more present in the burnt gases. Sub-mechanisms of VOC oxidation have been developed using experimental observations and the most recent recommendations of the literature. These sub-mechanisms comprise 49 species involved in 241 elementary reactions. Their validation has been performed by comparing the experiment with the kinetic modeling on the molar fraction profiles of the detected species. Experimental data are well reproduced by the model for most species. The addition of a VOC inside the initial reagents mixture creates an important reactivity increase, in particular in the case of butan-2-ol seeded flames. The analysis of reactional ways has permitted to draw out the main reactions responsible for the degradation of the 3 VOCs and the ways of formation and consumption of the

  20. Qualitative and quantitative analysis of light hydrocarbons produced by radiation degradation of N, N-dimethyl hydroxylamine

    International Nuclear Information System (INIS)

    Wang Jinhua; Bao Borong; Wu Minghong; Sun Xilian; Zhang Xianye; Hu Jingxin; Ye Guoan

    2004-01-01

    This paper reports the qualitative and quantitative analysis of light hydrocarbons produced by radiation degradation of N, N-dimethyl hydroxylamine. These analyses were performed on the gas chromatograph, in which porous layer open tubular column coated with aluminum oxide and flame-ionization detector are used. For the doses between 10 and 1000 kGy, the light hydrocarbons produced by radiation degradation of N,N-dimethyl hydroxylamine are methane, ethane, ethene, propane, propene and n-butane. When the concentration of N,N-dimethyl hydroxylamine is 0.2 mol/L, the volume fraction of methane is (9.996-247.5) x 10 -6 , the volume fraction of ethane, propane and n-butane is lower and that of ethene and propene is much lower. With the increase of dose the volume fraction of methane is increased but the volume fraction of ethane, ethene, propane, propene and n-butane is not obviously changed. (authors)

  1. Thermodynamic and acoustical properties of mixtures p-anisaldehyde—alkanols (C1-C4)—2-methyl-1-propanol at 303.15 K

    Science.gov (United States)

    Saini, Balwinder; Kumar, Ashwani; Rani, Ruby; Bamezai, Rajinder K.

    2016-07-01

    The density, viscosity and speed of sound of pure p-anisaldehyde and some alkanols, for example, methanol, ethanol, propan-1-ol, propan-2-ol, butan-1-ol, butan-2-ol, 2-methylpropan-1-ol, and the binary mixtures of p-anisaldehyde with these alkanols were measured over the entire composition range at 303.15 K. From the experimental data, various thermodynamic parameters such as excess molar volume ( V E), excess Gibbs free energy of activation (Δ G*E), and deviation parameters like viscosity (Δη), speed of sound (Δ u), isentropic compressibility (Δκs), are calculated. The excess as well as deviation parameters are fitted to Redlich—Kister equation. Additionally, the viscosity data for the systems has been used to correlate the application of empirical relation given by Grunberg and Nissan, Katti and Chaudhari, and Hind et al. The results are discussed in terms of specific interactions present in the mixtures.

  2. Efecto del extracto metanólico y las fracciones acuosa y butanólica de Lepidium meyenii variedad roja sobre la función renal en ratas Sprague-Dawley macho tratadas durante 90 días

    OpenAIRE

    Bernuy Hurtado, Jeanette Marlene

    2017-01-01

    Introducción: La fracción n-butanólica del extracto metanólico de maca contiene alcaloides que se ha sugerido pueden ser tóxicos. Objetivo: conocer el efecto de la administración del extracto metanólico y la fracción acuosa y butanólica de maca roja por vía orogástrica sobre la función renal de ratas Sprague-Dawley macho durante 90 días. Métodos: Se distribuyeron en: Grupo 1: control (agua destilada), Grupo 2: (1g de extracto metanólico de maca roja/k/día), Grupo 3: (0.89gr de fracción acuosa...

  3. Synthesis, structural studies and antimicrobial activity of N'-((2Z, 3E)-3-(hydroxyimino)butan-2-ylidene)-2-phenylacetohydrazide and its Co(II), Ni(II) complexes

    Science.gov (United States)

    Karadeniz, Şeyma; Ataol, Cigdem Yuksektepe; Şahin, Onur; İdil, Önder; Bati, Hümeyra

    2018-06-01

    A new aroylhydrazoneoxime, N'-((2Z, 3E)-3-(hydroxyimino)butan-2-ylidene)-2-phenylacetohydrazide ligand (LH2) and its Ni(II) and Co(II) complexes, have been synthesized and characterized by elemental and thermal analyses, IR and UV-vis spectroscopy, magnetic moment and X-ray diffraction. The antimicrobial activities of these compounds were tested by using minimal inhibitory concentration method (MIC). The ligand-containing aroylhydrazone and oxime groups and its Ni complex crystallize in the triclinic system and P 1 - space group, while its Co complex crystallizes in the monoclinic system and the C 2/c space group. X-ray results show that the ligand in the keto form is transformed into enolic form when it forms coordination. From elemental analysis data, the stoichiometry of Co(II) complex was found to be 1:2 (metal/ligand), but 1:1 for Ni(II). IR spectra indicate that the ligand acts as monoanionic NNO- tridentate and coordination takes place form through the oxime nitrogen, imine nitrogen, and enolate oxygen atoms.

  4. Study of densities, viscosities, and speeds of sound of binary liquid mixtures of butan-1-ol with n-alkanes (C6, C8, and C10) at T = (298.15, 303.15, and 308.15) K

    International Nuclear Information System (INIS)

    Dubey, Gyan Prakash; Sharma, Monika; Dubey, Neelima

    2008-01-01

    The densities (ρ) and speeds of sound (u) have been measured over the whole composition range for (butan-1-ol with hexane, or octane, or decane) at T = (298.15, 303.15, and 308.15) K and atmospheric pressure along with the properties of the pure components. Viscosities (η) of these binary mixtures have also been measured over the entire composition range at T 298.15 K. Experimental values of density, viscosity and speed of sound have been used to evaluate excess properties viz. excess molar volumes (V E ), deviation in viscosity (Δη), deviation in speeds of sound (Δu), deviation in isentropic compressibility (Δκ s ) and excess Gibbs free energy of activation of viscous flow (ΔG *E ). The excess properties have been correlated using the Redlich-Kister polynomial equation. The sign and magnitude of these excess properties have been used to interpret the results in terms of intermolecular interactions and structural effects. The viscosity data have also been correlated by Grunberg and Nissan, Tamura-Kurata, and Hind correlation equations

  5. Aggregation behavior of gemini pyrrolidine-based ionic liquids 1,1'-(butane-1,4-diyl)bis(1-alkylpyrrolidinium) bromide ([C(n)py-4-C(n)py][Br2]) in aqueous solution.

    Science.gov (United States)

    Zhang, Shaohua; Yan, Han; Zhao, Mingwei; Zheng, Liqiang

    2012-04-15

    Three gemini pyrrolidine-based ionic liquids, 1,1'-(butane-1,4-diyl)bis(1-alkylpyrrolidinium) bromide ([C(n)py-4-C(n)py][Br(2)], n=10, 12, 14), were synthesized. Their aggregation behavior in aqueous solution was systematically investigated by surface tension, electrical conductivity, and steady-state fluorescence. Compared with their corresponding monomers, N-alkyl-N-methylpyrrolidinium bromide (C(n)MPB), [C(n)py-4-C(n)py][Br(2)], have higher surface activity. The special structure of [C(n)py-4-C(n)py][Br(2)] that has a spacer in their hydrophilic head groups results in a lower surface excess concentration (Γ(max)) and a larger molecular cross-sectional area (A(min)). Electrical conductivity studies show a lower degree of counter-ion binding to the aggregates. A smaller aggregation number (N(agg)) is observed by the pyrene fluorescence quenching method. A series of thermodynamic parameters (ΔG(agg)(0),ΔH(agg)(0),-TΔS(agg)(0)) of aggregation derived from electrical conductivity indicate that the aggregation of [C(n)py-4-C(n)py][Br(2)] is enthalpy-driven, while aggregation of C(n)MPB is entropy-driven at low temperatures but enthalpy-driven at high temperatures. Copyright © 2012 Elsevier Inc. All rights reserved.

  6. Theoretical study and design of a low-grade heat-driven pilot ejector refrigeration machine operating with butane and isobutane and intended for cooling of gas transported in a gas-main pipeline

    KAUST Repository

    Petrenko, V.O.

    2011-11-01

    This paper describes the construction and performance of a novel combined system intended for natural gas transportation and power production, and for cooling of gas transported in a gas-main pipeline. The proposed system includes a gas turbine compressor, a combined electrogenerating plant and an ejector refrigeration unit operating with a hydrocarbon refrigerant. The combined electrogenerating plant consists of a high-temperature steam-power cycle and a low-temperature hydrocarbon vapor power cycle, which together comprise a binary vapor system. The combined system is designed for the highest possible effectiveness of power generation and could find wide application in gas-transmission systems of gas-main pipelines. Application of the proposed system would enable year-round power generation and provide cooling of natural gas during periods of high ambient temperature operation. This paper presents the main results of a theoretical study and design performance specifications of a low-grade heat-driven pilot ejector refrigeration machine operating with butane and isobutane. © 2010 Elsevier Ltd and IIR. All rights reserved.

  7. Vapour pressures for 1-(butoxymethoxy)butane (dibutoxymethane) and 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane (methyl nonafluorobutyl ether) over the pressure range of (15–80) kPa

    International Nuclear Information System (INIS)

    Gárate, María P.; Bejarano, Arturo; Fuente, Juan C. de la

    2016-01-01

    Highlights: • Vapour pressures of two pure potential dry-cleaning solvent were measured. • Measurements were made over the temperature range of (294.6–442.7) K. • Three commonly used vapour pressure equations were fitted to the experimental data. • The parameters of Antoine and Wagner type equations were estimated. • The relative deviations (rmsd) from the three vapour-pressure equations were <0.6%. - Abstract: Saturated pressures of 1-(butoxymethoxy)butane (dibutoxymethane) and 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane (methyl nonafluorobutyl ether), new potential solvents for dry-cleaning processes, were measured with a dynamic recirculation apparatus at a pressure range of (15–80) kPa, at temperatures of (390.4–442.7) K for dibutoxymethane and (294.6–322.4) K for methyl nonafluorobutyl ether. The vapour pressures were represented using the correlations of Antoine, extended Antoine and Wagner with relative root mean square deviations of, 1%, 6% and 0.6% for dibutoxymethane, and, 1%, 2% and 0.6% for methyl nonafluorobutyl ether, respectively. The experimental data of dibutoxymethane was compared with those available in literature, the result showed consistency between both data sets.

  8. Volumetric behaviour of the (2,2,4-trimethylpentane + methylbenzene + butan-1-ol) ternary system and its binary sub-systems within the temperature range (298.15–328.15) K

    International Nuclear Information System (INIS)

    Morávková, Lenka; Troncoso, Jacobo; Machanová, Karolina; Sedláková, Zuzana

    2013-01-01

    Highlights: • Density measurements. • Excess molar volume at atmospheric pressure. • Redlich–Kister equation. • ERAS model. • Comparison of our data with literature data. -- Abstract: Densities and speeds of sound of the (2,2,4-trimethylpentane + methylbenzene + butan-1-ol) ternary system as well as all its binary sub-systems were measured at four temperatures, namely 298.15 K, 308.15 K, 318.15 K, and 328.15 K at atmospheric pressure by a vibrating-tube densimeter DSA 5000. The binary (isooctane + toluene) system was studied previously. Excess quantities (molar volume, adiabatic compressibility, and isobaric thermal expansivity) of the mixtures studied were calculated from the experimental densities and speed of sounds. The excess molar volume data were correlated using the Redlich–Kister equation. Both the positive and S-shaped excess molar volume curves were found for the systems studied. The excess molar volumes versus concentration of binary systems differed in the shape and temperature dependence. The experimental binary data were compared with literature data. The experimental excess molar volumes were analyzed by means of the Extended Real Associated Solution (ERAS) model. The experimental data and the ERAS model can help to estimate real behaviour of the systems studied

  9. Regular square planer bis-(4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione)/copper(II) complex: Trans/cis-DFT isomerization, crystal structure, thermal, solvatochromism, hirshfeld surface and DNA-binding analysis

    Science.gov (United States)

    Hema, M. K.; Karthik, C. S.; Warad, Ismail; Lokanath, N. K.; Zarrouk, Abdelkader; Kumara, Karthik; Pampa, K. J.; Mallu, P.

    2018-04-01

    Trans-[Cu(O∩O)2] complex, O∩O = 4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione was reported with high potential toward CT-DNA binder. The solved XRD-structure of complex indicated a perfect regular square-planer geometry around the Cu(II) center. The trans/cis-DFT-isomerization calculation supported the XRD seen in reflecting the trans-isomer as the kinetic-favor isomer. The desired complex structure was also characterized by conductivity measurement, CHN-elemental analyses, MS, EDX, SEM, UV-Vis., FT-IR, HAS and TG/DTG. The Solvatochromism behavior of the complex was evaluated using four different polar solvents. MPE and Hirshfeld surface analysis (HSA) come to an agreement that fluoride and thiophene protons atoms are with suitable electro-potential environment to form non-classical H-bonds of type CThsbnd H⋯F. The DNA-binding properties were investigated by viscosity tests and spectrometric titrations, the results revealed the complex as strong calf-thymus DNA binder. High intrinsic-binding constants value ∼1.8 × 105 was collected.

  10. Quantitative structure-activity relationships for toxicity and genotoxicity of halogenated aliphatic compounds: wing spot test of Drosophila melanogaster.

    Science.gov (United States)

    Chroust, Karel; Pavlová, Martina; Prokop, Zbynek; Mendel, Jan; Bozková, Katerina; Kubát, Zdenek; Zajícková, Veronika; Damborský, Jiri

    2007-02-01

    Halogenated aliphatic compounds were evaluated for toxic and genotoxic effects in the somatic mutation and recombination test employing Drosophila melanogaster. The tested chemicals included chlorinated, brominated and iodinated; mono-, di- and tri-substituted; saturated and unsaturated alkanes: 1,2-dibromoethane, 1-bromo-2-chloroethane, 1-iodopropane, 2,3-dichloropropene, 3-bromo-1-propene, epibromohydrin, 2-iodobutane, 3-chloro-2-methylpropene, 1,2,3-trichloropropane, 1,2-dichloroethane, 1,2-dichlorobutane, 1-chloro-2-methylpropane, 1,3-dichloropropane, 1,2-dichloropropane, 2-chloroethymethylether, 1-bromo-2-methylpropane and 1-chloropentane. N-methyl-N-nitrosourea served as the positive and distilled water as the negative control. The set of chemicals for the toxicological testing was selected by the use of statistical experiment design. Group of unsaturated aliphatic hydrocarbons were generally more toxic than saturated analogues. The genotoxic effect was observed with 14 compounds in the wing spot test, while 3 substances did not show any genotoxicity by using the wing spot test at 50% lethal concentration. The highest number of wing spots was observed in genotoxicity assay with 1-bromo-2-chloroethane, 1,2-dichloroethane, 1,2-dibromoethane and 1-iodopropane. Nucleophilic superdelocalizability calculated by quantum mechanics appears to be a good parameter for prediction of both toxicity and genotoxicity effects of halogenated aliphatic compounds.

  11. C-H and C-C activation of n -butane with zirconium hydrides supported on SBA15 containing N-donor ligands: [(≡SiNH-)(≡SiX-)ZrH2], [(≡SiNH-)(≡SiX-)2ZrH], and[(≡SiN=)(≡SiX-)ZrH] (X = -NH-, -O-). A DFT study

    KAUST Repository

    Pasha, Farhan Ahmad

    2014-07-01

    Density functional theory (DFT) was used to elucidate the mechanism of n-butane hydrogenolysis (into propane, ethane, and methane) on well-defined zirconium hydrides supported on SBA15 coordinated to the surface via N-donor surface pincer ligands: [(≡SiNH-)(≡SiO-)ZrH2] (A), [(≡SiNH-)2ZrH2] (B), [(≡SiNH-)(≡SiO-) 2ZrH] (C), [(≡SiNH-)2(≡SiO-)ZrH] (D), [(≡SiN=)(≡Si-O-)ZrH] (E), and [(≡SiN=)(≡SiNH-)ZrH] (F). The roles of these hydrides have been investigated in C-H/C-C bond activation and cleavage. The dihydride A linked via a chelating [N,O] surface ligand was found to be more active than B, linked to the chelating [N,N] surface ligand. Moreover, the dihydride zirconium complexes are also more active than their corresponding monohydrides C-F. The C-C cleavage step occurs preferentially via β-alkyl transfer, which is the rate-limiting step in the alkane hydrogenolysis. The energetics of the comparative pathways over the potential energy surface diagram (PES) reveals the hydrogenolysis of n-butane into propane and ethane. © 2014 American Chemical Society.

  12. The (p, ρ, T, x) properties of (x1 propane + x2n-butane) with x1 (0.0000, 0.2729, 0.5021, and 0.7308) over the temperature range from (280 to 440) K at pressures from (1 to 200) MPa

    International Nuclear Information System (INIS)

    Miyamoto, H.; Uematsu, M.

    2008-01-01

    The (p, ρ, T, x) properties for (x 1 propane + x 2 n-butane) with x 1 = (0.0000, 0.2729, 0.5021, and 0.7308) in the compressed liquid phase were measured by means of a metal-bellows variable volumometer over the temperature range from (280 to 440) K at pressures from (1 to 200) MPa. The mole fraction purities of the propane and n-butane used in the measurements were 0.9999 and 0.9997, respectively. The expanded uncertainties (k = 2) in temperature, pressure, density, and composition measurements have been estimated to be less than ±3 mK; 1.4 kPa (p ≤ 7 MPa), 0.06% (7 MPa 150 MPa); 0.09%; and 4.4 . 10 -4 , respectively. In the region above 100 MPa at T = (280 and 440) K, the uncertainty in density measurements increases from 0.09% to 0.13% and 0.22%, respectively. Comparisons of the available equation of state with the present measurements are reported. On the basis of the present results, the excess molar volume v m E of the mixtures was calculated and illustrated as a function of temperature and pressure

  13. Poly[[μ2-2,2′-diethyl-1,1′-(butane-1,4-diyldiimidazole-κ2N3:N3′](μ2-5-hydroxyisophthalato-κ2O1:O3zinc

    Directory of Open Access Journals (Sweden)

    Ying-Ying Liu

    2011-11-01

    Full Text Available In the title coordination polymer, [Zn(C8H4O5(C14H22N4]n, the ZnII cation is coordinated by an O2N2 donor set in a distorted tetrahedral geometry. The ZnII ions are linked by μ2-OH-bdc (OH-H2bdc = 5-hydroxyisophthalic acid and bbie ligands [bbie = 2,2′-diethyl-1,1′-(butane-1,4-diyldiimidazole], forming a two-dimensional layer parallel to the ab plane. The layers are further connected through intermolecular C—H...O and O—H...O hydrogen bonds, forming a three-dimensional supramolecular structure. In the bbie ligand, the two C atoms in the ethyl group are each disordered over two positions with a site-occupancy ratio of 0.69:0.31.

  14. Crystal structure of poly[[μ-1,1′-(butane-1,4-diylbis(1H-benzimidazole-κ2N3:N3′]{μ-4,4′-[1,4-phenylenebis(oxy]dibenzoato-κ4O,O′:O′′,O′′′}cobalt(II

    Directory of Open Access Journals (Sweden)

    Chen Xie

    2015-06-01

    Full Text Available In the title compound, [Co(C20H12O6(C18H18N4]n, the CoII atom, located on a twofold rotation axis, is hexacoordinated to four O from two bis-bidentate 4,4′-[phenylenebis(oxy]dibenzoate (L ligands and two N atoms from two 1,1′-(butane-1,4-diylbis(1H-benzimidazole (bbbm ligands, forming a distorted octahedral cis-N2O4 coordination environment. Polymeric zigzag chains along [102] are built up by the bridging L ligands. These chains are additionally connected by the bbbm ligands to produce a two-dimensional coordination polymer parallel too (010.

  15. Structural features of AgCaCdMg2(PO4)3 and AgCd2Mg2(PO4)3, two new compounds with the alluaudite-type structure, and their catalytic activity in butan-2-ol conversion

    International Nuclear Information System (INIS)

    Kacimi, Mohammed; Ziyad, Mahfoud; Hatert, Frederic

    2005-01-01

    AgCaCdMg 2 (PO 4 ) 3 and AgCd 2 Mg 2 (PO 4 ) 3 , two new compounds with the alluaudite-type structure, were synthesized by a solid state reaction in air at 750 deg. C. The X-ray powder diffraction pattern of AgCaCdMg 2 (PO 4 ) 3 indicates the presence of small amounts of (Ca, Mg) 3 (PO 4 ) 2 with the whitlockite structure, as impurity, whereas AgCd 2 Mg 2 (PO 4 ) 3 is constituted by pure alluaudite. The Rietveld refinements of the X-ray powder diffraction patterns indicate an ordered cationic distribution for AgCd 2 Mg 2 (PO 4 ) 3 , with Ag on A(2)', Cd on A(1) and M(1), and Mg on M(2), whereas a disordered distribution of Cd and Ca between the A(1) and M(1) sites is observed for AgCaCdMg 2 (PO 4 ) 3 . The catalytic properties of these compounds has been measured in reaction of butan-2-ol dehydrogenation. In the absence of oxygen, both samples exhibit poor dehydrogenation activity. All samples displayed no dehydration activity. Introduction of oxygen into the feed changed totally the catalytic behavior of the catalysts. The production of methyl ethyl ketone increases with time on stream and the reaction temperature. AgCaCdMg 2 (PO 4 ) 3 is more efficient than AgCd 2 Mg 2 (PO 4 ) 3

  16. The infrared spectrum of gaseous malonaldehyde (3-hydroxy-2-propenal)

    Science.gov (United States)

    Smith, Zuzana; Wilson, E. Bright; Duerst, Richard W.

    The infrared spectra of gaseous malonaldehyde and four of its deutero isotopes were recorded in the regions 4000-75 and 4000-400 cm -1, respectively. The vibrational fundamental frequencies were assigned in terms of C s molecular symmetry, primarily on the basis of transferring frequencies for similar modes and force constants from acrolein and other related molecules, plus the Redlich—Teller and reduced Redlich—Teller product rules. This assignment I does not agree well with a priori calculations of the frequencies received from two groups. Assignment II involved some changes in the intermediate frequency range which led to much better agreement with a priori values, but a conclusive choice has not been made.

  17. Propene bulk polymerization kinetics: Role of prepolymerization and hydrogen

    NARCIS (Netherlands)

    Pater, J.T.M.; Weickert, G.; van Swaaij, Willibrordus Petrus Maria

    2003-01-01

    An experimental setup for the polymerization of liquid propylene was used to carry out main polymerizations with and without a prepolymerization step. Two types of prepolymerization are introduced: at a constant temperature and at rapidly increasing reactor temperatures. With the present catalyst

  18. Relação entre plano de saúde e a realização do exame Papanicolaou: uma aplicação de escore de propensão usando um inquérito amostral complexo Relationship between health care insurance and Papanicolaou exam: a propensity score application using a complex sample inquiry

    Directory of Open Access Journals (Sweden)

    José Rodrigo de Moraes

    2011-12-01

    Full Text Available O câncer de colo de útero é a segunda doença mais comum entre mulheres em todo o mundo. O esfregaço de Papanicolaou é um teste simples que pode detectar a doença em um estágio precoce e curável. Embora indicado para todas as mulheres adultas, a cobertura do teste é inferior a 70% das mulheres brasileiras. Este estudo teve como objetivo avaliar se a posse de plano de saúde privado está associada à realização do exame de Papanicolaou. Foram analisados dados de 6.299 mulheres com 35 anos ou mais de idade, residentes no Rio de Janeiro, entrevistadas na Pesquisa Nacional por Amostra de Domicílios (PNAD em 2003. A fim de minimizar a ocorrência de vieses, utilizamos o escore de propensão com a técnica de pareamento, levando em consideração todas as informações do desenho amostral na estimação dos escores (pesos amostrais, estratos e unidades primárias de amostragem. Uma subamostra de 2.348 mulheres foi então obtida, com covariáveis socioeconômicas e biológicas distribuídas igualmente entre os grupos com e sem cobertura de plano de saúde privado (1.174 pares. Os resultados com utilização de modelo de regressão logística mostraram que a chance de realizar o exame Papanicolaou é 26,1% maior (OR=1,261; p=0,096; IC 95%=[0,96; 1,66] para mulheres com plano de saúde quando comparadas às mulheres sem cobertura de plano de saúde, no nível de significância de 10%. Os resultados indicam a necessidade da extensão do rastreio periódico do câncer de colo de útero para todas as mulheres, reduzindo as desigualdades ainda presentes nos dias atuais.Cervical uterine cancer is the second most common malignancy affecting women worldwide. Papanicolaou smear is a simple screening test that can detect the disease at an early and curable stage. Although indicated to every adult woman, Pap smear screening covers less than 70% of Brazilian women. This study aimed to evaluate if private health care insurance coverage was associated

  19. Isobutane as a probe of the structure of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids

    International Nuclear Information System (INIS)

    Pison, Laure; Bernales, Varinia; Fuentealba, Patricio; Padua, Agilio A.H.

    2015-01-01

    Highlights: • The solubility of isobutane was determined in [C n C 1 Im][NTf 2 ] (n = 2, 4, 6, 8 and 10). • Iso-C 4 H 10 solubility decreases with T and increases with n to reach x = 0.1 (n = 10, T = 303 K). • Isobutane is, on average, 1.6 times less soluble than n-butane in this family of ionic liquids. • Solubility increase with n is due to a more negative enthalpy of dissolution (n ⩾ 6). - Abstract: An experimental study of the solubility and of the thermodynamic properties of solvation, between temperatures (303 and 343) K and at pressures close to atmospheric, of 2-methylpropane (isobutane) in several ionic liquids based on the bis(trifluoromethylsulfonyl)imide anion and on 1-alkyl-3-methylimidazolium cations, [C n C 1 Im][NTf 2 ], with alkyl side-chains varying from two to ten carbon atoms is presented. The isobutane solubility increases with increasing size of the alkyl side-chain of the cation in the ionic liquid and decreases with increasing temperature (as typical of an exothermal dissolution process). The mole fraction solubility of isobutane varies from 0.904 · 10 −2 in [C 2 C 1 Im][NTf 2 ] at T = 343 K to 1.002 · 10 −1 in [C 10 C 1 Im][NTf 2 ] at T = 303 K. The values measured in this work are compared to the behaviour of n-butane in the same ionic liquids published in a previous study (Costa Gomes et al., 2012). Isobutane was found to be significantly less soluble than n-butane in all the ionic liquids. The differences found are interpreted in relation to the molecular structures obtained by molecular dynamics simulations for the solutions of n-butane and isobutane in the studied [C n C 1 Im][NTf 2 ] ionic liquids

  20. Cis-[RuCl(BzCN)(N-N)(P-P)]PF6 complexes: Synthesis and in vitro antitumor activity: (BzCN=benzonitrile; N-N=2,2'-bipyridine; 1,10-phenanthroline; P-P=1,4-bis(diphenylphosphino) butane, 1,2-bis(diphenylphosphino)ethane, or 1,1'-(diphenylphosphino)ferrocene).

    Science.gov (United States)

    Pereira, Flávia de C; Lima, Benedicto A V; de Lima, Aliny P; Pires, Wanessa C; Monteiro, Thallita; Magalhães, Lorena F; Costa, Wanderson; Graminha, Angélica E; Batista, Alzir A; Ellena, Javier; Siveira-Lacerda, Elisângela de P

    2015-08-01

    The motivation to use ruthenium complexes in cancer treatment has led our research group to synthesize complexes with this metal and test them against several types of tumor cells, yielding promising results. In this paper the results of biological tests, assessed by the MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) assay, were carried out on the complexes cis-[RuCl(BzCN)(bipy)(dppe)]PF6 (1), cis-[RuCl(BzCN)(bipy)(dppb)]PF6 (2), cis-[RuCl(BzCN)(bipy)(dppf)]PF6 (3) and cis-[RuCl(BzCN)(phen)(dppb)]PF6 (4) which are described [BzCN = b enzonitrile; bipy = 2,2'-bipyridine; phen = 1,10-phenanthroline; dppe = 1,2-bis(diphenylphosphino) ethane; dppb = 1,4-bis-(diphenylphosphino)butane; dppf = 1,1'-bis(diphenylphosphino)ferrocene]. The present study is focused on the cytotoxic activity of complexes (1)-(4) against four tumor cell lines and on the apoptosis and changes in the cell cycle and gene expression observed in the sarcoma 180 (S180) tumor cell line treated with complex (1). The results demonstrated that this complex inhibits S180 cell growth, with an IC50 of 17.02 ± 8.21 μM, while exhibiting lower cytotoxicity (IC50 = 53.73 ± 5.71 μM) towards lymphocytes (normal cells). Flow cytometry revealed that the complex inhibits the growth of tumor cells by inducing apoptosis as evidenced by an increase in the proportion of cells positive for annexin V staining and G0/G1 phase cell-cycle arrest. Further investigation showed that complex (1) induces a drop in the mitochondrial membrane potential and provokes a decrease in Bcl-2 protein expression and increase in caspase 3 activation, while the increased activation of caspase 8 caused a decrease in the gene expression in caspases 3 and 9. Increases in Tp53 and Bax expressions were also observed. Copyright © 2015 Elsevier Inc. All rights reserved.

  1. Photocatalytic degradation of acetone and butane on mesoporous titania layers

    Czech Academy of Sciences Publication Activity Database

    Štengl, Václav; Houšková, Vendula; Bakardjieva, Snejana; Murafa, Nataliya

    2010-01-01

    Roč. 34, č. 9 (2010), s. 1999-2005 ISSN 1144-0546 R&D Projects: GA ČR GA203/08/0334 Institutional research plan: CEZ:AV0Z40320502 Keywords : thin-films * gaseous acetone * oxidation * TIO2 Subject RIV: CA - Inorganic Chemistry Impact factor: 2.631, year: 2010

  2. Laser-deposited thin films for butane detection

    Czech Academy of Sciences Publication Activity Database

    Jelínek, Miroslav; Kocourek, Tomáš; Flory, F.; Escoubas, L.; Mazingue, T.; Myslík, V.; Vrňata, M.; Fryček, R.; Vysloužil, F.

    2006-01-01

    Roč. 16, č. 2 (2006), s. 217-222 ISSN 1054-660X R&D Projects: GA AV ČR(CZ) IAA1010110; GA ČR(CZ) GA104/03/0406 Grant - others:NANOPHOS(XE) IST-2001-39112 Institutional research plan: CEZ:AV0Z10100522 Keywords : laser deposition * gas sensor * mode spectroscopy Subject RIV: BH - Optics, Masers, Lasers Impact factor: 0.516, year: 2006

  3. Study of Capillary Condensation of Butane in Vycor Membrane

    Czech Academy of Sciences Publication Activity Database

    Uchytil, Petr; Petričkovič, Roman; Seidel-Morgenstern, A.

    2005-01-01

    Roč. 264, 1-2 (2005), s. 27-36 ISSN 0376-7388 R&D Projects: GA AV ČR(CZ) IAA4072402 Institutional research plan: CEZ:AV0Z40720504 Keywords : capillary condensation * mass transport * porous membrane Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 2.654, year: 2005

  4. UOP Oleflex process for the dehydrogenation of propane and butanes

    Energy Technology Data Exchange (ETDEWEB)

    Merle, C.A. le; Wilcher, F P; Vora, B V; Pujado, P R [UOP, Guildford (United Kingdom)

    1991-01-01

    Oleflex is based on two commercially successful UOP technologies: Pacol and CCR Platforming. The catalyst formulation was developed from the commercially proven Pacol catalyst system, and the reactor design and catalyst-regeneration section were developed from the widely accepted CCR Platforming unit designs. The Oleflex process offers the advantages of high yields, moderate capital costs, and low operating requirements. The process operates in a totally continuous mode, with uniform catalyst activity at all times and without changes in effluent composition or shutdowns for regenerations. The segregation of the reaction and the catalyst-regeneration sections allows each section to be operated under optimal conditions. In the current marketplace, great interest has been shown in the Oleflex process for the production of propylene and/or isobutylene. The propylene is typically used as the feed for a polypropylene unit, and the isobutylene is typically used for the production of MTBE. The updated information for propylene and MTBE production given in this paper shows that olefin complexes based on the Oleflex technology are economically attractive. (orig./EF).

  5. Fueling Requirements for Steady State high butane current fraction discharges

    International Nuclear Information System (INIS)

    R.Raman

    2003-01-01

    The CT injector originally used for injecting CTs into 1T toroidal field discharges in the TdeV tokamak was shipped PPPL from the Affiliated Customs Brokers storage facility in Montreal during November 2002. All components were transported safely, without damage, and are currently in storage at PPPL, waiting for further funding in order to begin advanced fueling experiments on NSTX. The components are currently insured through the University of Washington. Several technical presentations were made to investigate the feasibility of the CT injector installation on NSTX. These technical presentations, attached to this document, were: (1) Motivation for Compact Toroida Injection in NSTX; (2) Assessment of the Engineering Feasibility of Installing CTF-II on NSTX; (3) Assessment of the Cost for CT Installation on NSTX--A Peer Review; and (4) CT Fueling for NSTX FY 04-08 steady-state operation needs

  6. French Committee of Butane and Propane. 2006 activity report

    International Nuclear Information System (INIS)

    2007-01-01

    This document presents the 2006 highlights of the French LPG fuels industry: 1 - presentation of the CFBP association and promotion of the LPG industry; 2 - share of LPG fuels in the French energy mix; 3 - improvement of energy efficiency in the residential sector; 4 - advantages of LPG fuels; 5 - safety aspects. (J.S.)

  7. Photocatalytic oxidation of butane by titania after reductive annealing

    Czech Academy of Sciences Publication Activity Database

    Štengl, Václav; Henych, Jiří; Szatmáry, Lórant; Kormunda, M.

    2014-01-01

    Roč. 49, č. 12 (2014), s. 4161-4170 ISSN 0022-2461 Institutional support: RVO:61388980 Keywords : TIO2 * DIOXIDE * Anatase * PARTICLES * SURFACE * NANOPARTICLES Subject RIV: CA - Inorganic Chemistry Impact factor: 2.371, year: 2014

  8. French Committee of Butane and Propane. 2005 activity report

    International Nuclear Information System (INIS)

    2007-01-01

    This document presents the 2005 highlights of the French LPG fuels industry: 1 - presentation of the CFBP association and promotion of the LPG industry; 2 - information about the LPG fuels advantages; 3 - LPG market; 4 - CFBP's commitments for end-users, professionals and public authorities: energy efficiency improvement, environment protection, energy supply of French rural towns, safety improvements. (J.S.)

  9. Butane/Propane. An economical and technical turning point

    International Nuclear Information System (INIS)

    Fridman, G.

    1998-01-01

    During 1997, the sales of all energies dropped. Even for the liquid fuel, its consumption came back under the level of three million tons. To fight this regression, liquid fuels producers innovate in the cisterns and the bottles and carry on their efforts in logistic matters. Hopes are allowed thanks to the new taxing and the demand increasing in the car industry, for liquid fuels. (A.L.B.)

  10. French Committee of Butane and Propane. 2015 activity report. Butane, propane, LPG - Immediately available solutions for the future

    International Nuclear Information System (INIS)

    2016-05-01

    This document presents the 2015 highlights of the French LPG fuels industry: 1 - 2015 LPG market; 2 - CFBP missions and 2015 highlights: promotion of LPG industry and uses, contribution to standards development, safety of industrial sites, promoting LPG specificities, safety of LPG transports and training, ensuring clients' installations safety, promoting LPG in the energy mix, promoting LPGc potential, public information

  11. Analysis of Non-Methane Hydrocarbon Data from 2004-2016 in a Subtropical Area close to the Gulf of Mexico

    Science.gov (United States)

    Rappenglueck, B.

    2017-12-01

    Speciated C2-C11 non-methane hydrocarbons (NMHC) have been measured online on an hourly basis at Lake Jackson/TX close to the Gulf of Mexico. Altogether 48 NMHCs along with NO, NO2, NOx, O3 have been collected continuously from January 2004-December 2016 under the auspices of the Texas Commission on Environmental Quality. Data was screened for background conditions representing marine wind sectors. The data set represents a combination of marine air masses mixed with local biogenic emissions. The data analysis addresses photochemical processing of air masses as reflected in the relationship of ln(n-butane/ethane) vs. ln(propane/ethane) and ln(i-butane/ethane) vs. ln(n-butane/ethane). In addition, key NMHC relationships for radical chemistry, e.g. i-butane vs n-butane for OH and Cl chemistry and i-pentane vs. n-pentane for NO3 chemistry, are discussed. Seasonal analysis revealed a clear trend with maximum NMHC mixing ratios in winter time and lowest mixing ratios in summer reflecting the impact of photochemical processes in summer. Propene equivalents were highest during summertime, with significant contributions from alkenes, including isoprene. The relation of propane/ethane vs ethane indicates seasonal variation with lowest values (i.e. most aged air masses) in winter.

  12. Light alkane (mixed feed selective dehydrogenation using bi-metallic zeolite supported catalyst

    Directory of Open Access Journals (Sweden)

    Zeeshan Nawaz

    2009-12-01

    Full Text Available Light alkanes are the important intermediates of many refinery processes and their catalytic dehydrogenation gives corresponding alkenes. The aim behind this experimentation is to investigate reaction behavior of mixed alkanes during direct catalytic dehydrogenation and emphasis has been given to enhance propene. Bi-metallic zeolite supported catalyst Pt-Sn/ZSM-5 was prepared by sequentional impregnation method and characterized by BET, EDS and XRD. Direct dehydrogenation reaction is highly endothermic and its conversion is thermodynamically limited. Results showed that the increase in temperature increases the conversion to some extent but there is no overall effect on selectivity of propene. Increase in time-on-stream (TOS remarkably improves propene selectivity at the expense of lower conversion. The performances of bi-metallic zeolite based catalyst largely affected by coke deposition. The presence of butane and ethane adversely affected propane conversion. Optimum propene selectivity is about 48 %, obtained at 600 oC and time-on-stream 10 h.

  13. 75 FR 65987 - 1-Propene, 2,3,3,3-tetrafluoro-; Significant New Use Rule

    Science.gov (United States)

    2010-10-27

    ... to search. Visitors will be provided an EPA/DC badge that must be visible at all times in the... the engine is running. Use of the refrigerant in a closed garage with no ventilation. The amount of.... Response: Prior to marketing HFO-1234yf as a delivery agent, a person would need to submit notices to EPA...

  14. (2E-3-(3-Methoxy-1-phenyl-1H-pyrazol-4-yl-2-propenal

    Directory of Open Access Journals (Sweden)

    Algirdas Šačkus

    2009-12-01

    Full Text Available The palladium-catalyzed reaction of 4-bromo-3-methoxy-1-phenyl-1H-pyrazole with acrolein diethyl acetal gives the title compound in good yield. Detailed spectroscopic data (1H NMR, 13C NMR, 15N NMR, IR, MS are presented.

  15. Chlamydomonas reinhardtii responding to high light: a role for 2-propenal (acrolein).

    Science.gov (United States)

    Roach, Thomas; Baur, Theresa; Stöggl, Wolfgang; Krieger-Liszkay, Anja

    2017-09-01

    High light causes photosystem II to generate singlet oxygen ( 1 O 2 ), a reactive oxygen species (ROS) that can react with membrane lipids, releasing reactive electrophile species (RES), such as acrolein. To investigate how RES may contribute to light stress responses, Chlamydomonas reinhardtii was high light-treated in photoautotrophic and mixotrophic conditions and also in an oxygen-enriched atmosphere to elevate ROS production. The responses were compared to exogenous acrolein. Non-photochemical quenching (NPQ) was higher in photoautotrophic cells, as a consequence of a more de-epoxidized state of the xanthophyll cycle pool and more LHCSR3 protein, showing that photosynthesis was under more pressure than in mixotrophic cells. Photoautotrophic cells had lowered α-tocopherol and β-carotene contents and a higher level of protein carbonylation, indicators of elevated 1 O 2 production. Levels of glutathione, glutathione peroxidase (GPX5) and glutathione-S-transferase (GST1), important antioxidants against RES, were also increased in photoautotrophic cells. In parallel to the wild-type, the LHCSR3-deficient npq4 mutant was high light-treated, which in photoautotrophic conditions exhibited particular sensitivity under elevated oxygen, the treatment that induced the highest RES levels, including acrolein. The npq4 mutant had more GPX5 and GST1 alongside higher levels of carbonylated protein and a more oxidized glutathione redox state. In wild-type cells glutathione contents doubled after 4 h treatment, either with high light under elevated oxygen or with a non-critical dose (600 ppm) of acrolein. Exogenous acrolein also increased GST1 levels, but not GPX5. Overall, RES-associated oxidative damage and glutathione metabolism are prominently associated with light stress and potentially in signaling responses of C. reinhardtii. © 2017 Scandinavian Plant Physiology Society.

  16. Kinetics of the water formation in the propene epoxidation over gold-titania catalysts

    NARCIS (Netherlands)

    Nijhuis, T.A.; Weckhuysen, B.M.

    2007-01-01

    The kinetics of the hydrogen oxidation were determined for a number of different gold catalysts supported on titania, silica, and silicalite-1. A dual site Langmuir-Hinshelwood kinetic model was able to describe the reaction well. The kinetic parameters are independent of the support. Water was

  17. A shock tube study of the branching ratios of propene + OH reaction

    KAUST Repository

    Badra, Jihad; Khaled, Fathi; Giri, Binod Raj; Farooq, Aamir

    2014-01-01

    coefficients are discussed and rationalized for the site-specific H-abstraction by the OH radical. The first experimental measurements for the branching ratio of the title reaction are reported and compared with transition state theory calculations. The allylic

  18. Hydride transfer versus deprotonation kinetics in the isobutane−propene alkylation reaction : A computational study

    NARCIS (Netherlands)

    Liu, Chong; Van Santen, Rutger A.; Poursaeidesfahani, A.; Vlugt, T.J.H.; Pidko, Evgeny A.; Hensen, Emiel J M

    2017-01-01

    The alkylation of isobutane with light alkenes plays an essential role in modern petrochemical processes for the production of high-octane gasoline. In this study we have employed periodic DFT calculations combined with microkinetic simulations to investigate the complex reaction mechanism of

  19. Shock tube measurements of the branching ratios of propene + OH -> products

    KAUST Repository

    Khaled, Fathi; Badra, Jihad Ahmad; Giri, Binod; Farooq, Aamir

    2014-01-01

    in a shock tube behind reflected shock conditions over the temperature range of 812 K – 1460 K and pressures near 1 atm. The reaction progress was followed by monitoring OH radical near 306.7 nm using UV laser absorption. The first experimental

  20. Active catalytic sites in the ammoxidation of propane and propene over V-Sb-O catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Buchholz, S.A.; Zanthoff, H.W. [Bochum Univ. (Germany). Lehrstuhl fuer Technische Chemie

    1998-12-31

    The ammoxidation of propane over VSb{sub y}O{sub x} catalysts (y=1, 2, 5) was investigated with respect to the role of different oxygen species in the selective and non selective reaction steps using transient experiments in the Temporal Analysis of Products (TAP) reactor. Only lattice oxygen is involved in the oxidation reactions. Using isotopic labelled oxygen it is shown that two different active sites exist on the surface. On site A, which can be reoxidized faster by gas phase oxygen compared to site B, mainly CO is formed. On site B CO{sub 2} and acrolein as well as NO and N{sub 2}O in the presence of ammonia in the feed gas are formed and reoxidation mainly occurs with bulk lattice oxygen. (orig.)

  1. The activity of catalytic systems based on zero-valent nickel complexes in propene dimerization

    Energy Technology Data Exchange (ETDEWEB)

    Shmidt, F.K.; Mironova, L.V.; Proidakov, A.G.; Kalabin, G.A.; Ratovskii, G.V.; Dmitrieva, T.V.

    1978-01-01

    Catalytic systems consisting of Ni(PPh/sub 3/) or Ni(P(OEt)/sub 3/)/sub 4/, Lewis acids BF/sub 3/ or BF/sub 3/.OEt/sub 2/, and Broensted acids HF, H/sub 2/SO/sub 4/, EtOH, or H/sub 2/O (even in trace amounts), but not HCl, showed high catalytic activities (i.e., hexene yields of 1200-1600 g-mole per g-atom Ni per hour) with 67-84% methylpentenes. In the absence of Lewis acids, the catalytic activity decreased and linear hexenes were favored (up to 65%). The activity of the systems containing no Broensted additives (i.e., when the solvents were thoroughly dehydrated and evacuated) was very low (50 g-mole hexene per g-atom Ni per hour). Proton, phosphorus-31, and fluorine-19 NMR studies identified nickel hydride complexes (NHC) with PF(OEt)/sub 2/ ligands in the Ni(P(OC/sub 2/H/sub 5/)/sub 3/)/sub 4// BF/sub 3/(OC/sub 2/H/sub 5/)/sub 2//C/sub 2/H/sub 5/OH system, and a UV spectroscopic study showed that the catalytic activity was proportional to the concentration of NHC in the system. Tables, spectra, and 16 references.

  2. Catalysis by mixed oxide perovskites. II. The hydrogenolysis of C/sub 3/-C/sub 5/ hydrocarbons on LaCoO/sub 3/

    Energy Technology Data Exchange (ETDEWEB)

    Ichimura, K; Inoue, Y; Yasumori, I

    1981-06-01

    The catalytic hydrogenolysis of C/sub 3/ to C/sub 5/ alkanes on LaCoO/sub 3/ perovskite oxide was found to show a highly selective formation of methane in the temperature range of 350 to 620 K. The reaction order with respect to the hydrocarbon pressure was unity in every hydrogenolysis, whereas, the hydrogen order increased from zero for propane to 1.0 for butane and isobutane and to 2.0 for pentane, isopentane, and neopentane. The activation energies of the reactions ranged from 120 for propane to 32 kJ mol/sup -1/ for butane. The reaction of propane or butane with D/sub 2/ on LaCoO/sub 3/ provided large fractions of methane (D/sub 3/) and (D/sub 4/), but a negligible amount of deuterium-exchanged alkanes. An equilibrium among the gaseous H/sub 2/, HD and D/sub 2/ was reached. These hydrogenolyses are described by a mechanism involving the almost concurrent rupture of all the carbon-carbon bonds in the alkanes by the attack of adsorbed hydrogen atoms, and were proposed to be catalyzed by a synergetic effect; the CO/sup 3 +/ ion is effective in breaking the C-C bond, whereas the La/sup 3 +/ and O/sup 2 -/ ions serve to supply hydrogen atoms to the decomposed species. The reaction of propene or butenes with hydrogen produced the corresponding alkanes and methane. The kinetic analyses showed that the fractions of methane produced consecutively via the alkanes amounted to 16% for propene and to more than 93% for butenes. The observed pressure dependence and deuterium distributions in the alkene hydrogenation were interpreted in terms of the associative mechanism. The correlation between the structures of the reactant molecules and of the active sites present on LaCoO/sub 3/ was briefly discussed.

  3. French Committee of Butane and Propane. 2006 activity report; Comite francais du butane et du propane. Rapport d'activite 2006

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2007-07-01

    This document presents the 2006 highlights of the French LPG fuels industry: 1 - presentation of the CFBP association and promotion of the LPG industry; 2 - share of LPG fuels in the French energy mix; 3 - improvement of energy efficiency in the residential sector; 4 - advantages of LPG fuels; 5 - safety aspects. (J.S.)

  4. French Committee of Butane and Propane. 2005 activity report; Comite francais du butane et du propane. Rapport d'activite 2005

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2007-07-01

    This document presents the 2005 highlights of the French LPG fuels industry: 1 - presentation of the CFBP association and promotion of the LPG industry; 2 - information about the LPG fuels advantages; 3 - LPG market; 4 - CFBP's commitments for end-users, professionals and public authorities: energy efficiency improvement, environment protection, energy supply of French rural towns, safety improvements. (J.S.)

  5. 40 CFR 80.835 - What requirements apply to butane blenders?

    Science.gov (United States)

    2010-07-01

    ... gasoline downstream of the refinery that produced the gasoline or the import facility where the gasoline... PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Toxics Gasoline Toxics Performance... gasoline. ...

  6. Direct injection of diesel-butane blends in a heavy duty engine

    NARCIS (Netherlands)

    Leermakers, C.A.J.; van den Berge, B.; Luijten, C.C.M.; Goey, de L.P.H.; Jaasma, S.A.M.

    2011-01-01

    Increasing fuel prices keep bringing attention to alternative, cheaper fuels. Liquefied Petroleum Gas (LPG) has been well known for decades as an alternative fuel for spark ignition (SI) passenger cars. More recently, aftermarket LPG systems were also introduced to Heavy Duty transport vehicles.

  7. Direct injection of a diesel-butane blend in a heavy duty engine

    NARCIS (Netherlands)

    Leermakers, C.A.J.; van den Berge, B.; Luijten, C.C.M.; Somers, L.M.T.; Jaasma, S.A.M.; Goey, de L.P.H.

    2011-01-01

    LPG (Liquefied Petroleum Gas) has for long been used in passenger cars. Presently, LPG sup-ply systems have also attracted considerable at-tention for heavy duty use. LPG can be applied in these engines combining port fuel injected LPG with a direct injection of diesel. These engines equipped with a

  8. Butane-1,4-diaminium bis[3,4,5,6-tetrachloro-2-(methoxycarbonylbenzoate

    Directory of Open Access Journals (Sweden)

    Zu Pei Liang

    2011-06-01

    Full Text Available In the title salt, C4H14N2+·2C9H3Cl4O4−, the cation lies on an inversion center. In the anion, the mean planes of methoxycarbonyl and carboxylate groups form dihedral angles of 64.9 (3 and 58.5 (3°, respectively, with the benzene ring. In the crystal, intermolecular N—H...O hydrogen bonds connect the components into sheets parallel to (100.

  9. Study of vanadium based mesoporous silicas for oxidative dehydrogenation of propane and n-butane

    Czech Academy of Sciences Publication Activity Database

    Bulánek, R.; Kalužová, A.; Setnička, M.; Zukal, Arnošt; Čičmanec, P.; Mayerová, Jana

    2012-01-01

    Roč. 179, č. 1 (2012), s. 149-158 ISSN 0920-5861 R&D Projects: GA ČR GAP106/10/0196 Institutional research plan: CEZ:AV0Z40400503 Keywords : vanadium * oxidative dehydrogenation * mesoporous silicas Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.980, year: 2012

  10. Transport of Butane in a Porous Vycor Glass Membrane in the Region of Condensation Pressure.

    Czech Academy of Sciences Publication Activity Database

    Uchytil, Petr; Petričkovič, Roman; Seidel-Morgenstern, A.

    2007-01-01

    Roč. 293, 1-2 (2007) , s. 15-21 ISSN 0376-7388 R&D Projects: GA AV ČR(CZ) IAA4072402 Institutional research plan: CEZ:AV0Z40720504 Keywords : mass transport * porous vycor glass * capillary condensation Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 2.432, year: 2007

  11. The Flow of Butane and Isobutene Vapors Near Saturation Through Porous Vycor Glass Membranes

    Czech Academy of Sciences Publication Activity Database

    Loimer, T.; Uchytil, Petr; Petričkovič, Roman; Setničková, Kateřina

    2011-01-01

    Roč. 383, 1-2 (2011), s. 104-115 ISSN 0376-7388 R&D Projects: GA ČR GA104/09/1165; GA ČR GCP106/10/J038; GA MŠk ME 889 Grant - others:AIMC GmbH(AT) AES:09/2006 Institutional research plan: CEZ:AV0Z40720504 Keywords : transport processes * porous media * inorganic membranes Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 3.850, year: 2011

  12. Effect of Platinum in Bifunctional Isomerization of n-Butane over Acid Zeolites

    Czech Academy of Sciences Publication Activity Database

    Babůrek, Evžen; Nováková, Jana

    2000-01-01

    Roč. 190, č. 1 (2000), s. 241-251 ISSN 0926-860X R&D Projects: GA AV ČR IAA4040710 Institutional research plan: CEZ:AV0Z4040901; CEZ:A54/98:Z4-040-9-ii Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.576, year: 2000

  13. N,N'-Bis(3,4-dimethoxybenzylidene)butane-1,4-diamine

    Czech Academy of Sciences Publication Activity Database

    Khalaji, A.D.; Fejfarová, Karla; Dušek, Michal

    2009-01-01

    Roč. 65, Part 8 (2009), o1773-sup7 ISSN 1600-5368 R&D Projects: GA ČR(CZ) GC202/07/J007 Institutional research plan: CEZ:AV0Z10100521 Keywords : structure analysis * Jana2006 * single-crystal x-ray diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.411, year: 2009

  14. Selective Removal of Acetone and Butan-1-ol from Water with

    Czech Academy of Sciences Publication Activity Database

    Izák, Pavel; Ruth, W.; Fei, Z.; Dyson, J.P.; Kragl, U.

    2008-01-01

    Roč. 139, č. 2 (2008), s. 318-321 ISSN 1385-8947 R&D Projects: GA ČR GA104/08/0600 Grant - others:MERG(XE) CT/2006/044737 Institutional research plan: CEZ:AV0Z40720504 Keywords : ionic liquid * supported polymer membrane * pervaporation Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 2.813, year: 2008

  15. Single Component and Competitive Adsorption of Propane, Carbon Dioxide and Butane on Vycor Glass

    Czech Academy of Sciences Publication Activity Database

    Řezníčková Čermáková, Jiřina; Marković, A.; Uchytil, Petr; Seidel-Morgenstern, A.

    2008-01-01

    Roč. 63, č. 6 (2008), s. 1586-1601 ISSN 0009-2509 R&D Projects: GA AV ČR(CZ) 1QS401250509; GA AV ČR(CZ) IAA4072402 Institutional research plan: CEZ:AV0Z40720504 Keywords : porous media * gases * adsorption Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 1.884, year: 2008

  16. Ozone Activated Cool Diffusion Flames of Butane Isomers in a Counterflow Facility

    KAUST Repository

    Al Omier, Abdullah Abdulaziz

    2017-01-01

    ignition engines (HCCI) have been developed. These new engines rely on the low temperature chemistry (LTC) combustion concept. A detailed investigation of the properties of cool flames, governed by LTC, is essential for the design of these new engines

  17. A case of butane hash oil (marijuana wax)-induced psychosis.

    Science.gov (United States)

    Keller, Corey J; Chen, Evan C; Brodsky, Kimberly; Yoon, Jong H

    2016-01-01

    Marijuana is one of the most widely used controlled substances in the United States. Despite extensive research on smoked marijuana, little is known regarding the potential psychotropic effects of marijuana "wax," a high-potency form of marijuana that is gaining in popularity. The authors present a case of "Mr. B," a 34-year-old veteran who presented with profound psychosis in the setting of recent initiation of heavy, daily marijuana wax use. He exhibited incoherent speech and odd behaviors and appeared to be in a dream-like state with perseverating thoughts about his combat experience. His condition persisted despite treatment with risperidone 4 mg twice a day (BID), but improved dramatically on day 8 of hospitalization with the return of baseline mental function. Following discharge, Mr. B discontinued all marijuana use and did not exhibit the return of any psychotic symptoms. This study highlights the need for future research regarding the potential medical and psychiatric effects of new, high-potency forms of marijuana. Could cannabis have a dose-dependent impact on psychosis? What other potential psychiatric effects could emerge heretofore unseen in lower potency formulations? Given the recent legalization of marijuana, these questions merit timely exploration.

  18. Surface study of mixtures containing cyclic ethers and isomeric chlorobutanes

    International Nuclear Information System (INIS)

    Royo, F.M.; Villares, A.; Martin, S.; Giner, B.; Lafuente, C.

    2007-01-01

    Experimental surface tensions and the corresponding surface tensions deviations for the mixtures containing 1,3-dioxolane or 1,4-dioxane and 1-chlorobutane, 2-chlorobutane, 1-chloro-2-methylpropane or 2-chloro-2-methylpropane, measured with a drop volume tensiometer, are reported at the temperatures of 298.15 K and 313.15 K. The excess surface concentrations of isomeric chlorobutanes are also evaluated using a monolayer model

  19. Design of an organic-liquid-phase / immobilized-cell reactor for the microbial epoxidation of propene

    NARCIS (Netherlands)

    Brink, L.E.S.

    1986-01-01

    Replacement of a considerable part of the traditional, aqueous reaction medium in biotechnology by an organic medium is a promising technique to broaden the scope and range of biotechnological processes. This seems especially to be true for the conversion of non-polar substances. The high capacity

  20. Combined XRD and Raman studies of coke types found in SAPO-34 after methanol and propene conversion

    DEFF Research Database (Denmark)

    Wragg, David S.; Grønvold, Arne; Voronov, Alexey

    2013-01-01

    oligomerisation (PO) reactions. The coke caused by MTO leads to two distinct sets of HRPD peaks which can be indexed by two SAPO-34 unit cells with different lattice parameters and coke contents. We believe that these unit cells represent different zones of the catalyst filled with different coke types. PO coking...... does not lead to splitting of the diffraction peaks. Raman spectra show differences between the coke types produced by MTO and PO with the same overall trend of increasingly polyaromatic coke with increasing coke mass. The intensity of the monocyclic and polyaromatic peaks in the MTO Raman spectra...... correspond to the phase fractions of the two cell types used in the Rietveld refinement, suggesting a link between the two phases and the two coke types. The PO Raman spectra have a stronger polyaromatic band at low coke, suggesting that polyaromatics form faster. In situ powder XRD studies suggest...

  1. 76 FR 27910 - Modification of the Significant New Uses of 2-Propen-1-one, 1-(4-morpholinyl)-

    Science.gov (United States)

    2011-05-13

    ... environmental release that may result from the significant new use of the chemical substance. Potential benefits... Edmont Neoprene number 865, and Solvex Nitrile Rubber number 275 gloves have been tested in accordance...

  2. Radiation processed polychloroprene-co-ethylene-propene diene terpolymer blends: Effect of radiation vulcanization on solvent transport kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Dubey, K.A. [Radiation Technology Development Section, Bhabha Atomic Research Centre, Room No. S-1, HIRUP Building, Trombay, Mumbai 400 085 (India); Bhardwaj, Y.K. [Radiation Technology Development Section, Bhabha Atomic Research Centre, Room No. S-1, HIRUP Building, Trombay, Mumbai 400 085 (India)], E-mail: ykbhard@barc.gov.in; Chaudhari, C.V.; Kumar, Virendra; Goel, N.K.; Sabharwal, S. [Radiation Technology Development Section, Bhabha Atomic Research Centre, Room No. S-1, HIRUP Building, Trombay, Mumbai 400 085 (India)

    2009-03-15

    Blends of polychloroprene rubber (PCR) and ethylene propylene diene terpolymer rubber (EPDM) of different compositions were made and exposed to different gamma radiation doses. The radiation sensitivity and radiation vulcanization efficiency of blends was estimated by gel-content analysis, Charlesby-Pinner parameter determination and crosslinking density measurements. Gamma radiation induced crosslinking was most efficient for EPDM (p{sub 0}/q{sub 0} {approx} 0.08), whereas it was the lowest for blends containing 40% PCR (p{sub 0}/q{sub 0} {approx} 0.34). The vulcanized blends were characterized for solvent diffusion characteristics by following the swelling dynamics. Blends with higher PCR content showed anomalous swelling. The sorption and permeability of the solvent were not strictly in accordance with each other and the extent of variation in two parameters was found to be a function of blend composition. The {delta}G values for solvent diffusion were in the range -2.97 to -9.58 kJ/mol and indicated thermodynamically favorable sorption for all blends. These results were corroborated by dynamic swelling, experimental as well as simulated profiles and have been explained on the basis of correlation between crosslinking density, diffusion kinetics, thermodynamic parameters and polymer-polymer interaction parameter.

  3. Proton proximity – New key parameter controlling adsorption, desorption and activity in propene oligomerization over H-ZSM-5 zeolites

    Czech Academy of Sciences Publication Activity Database

    Bernauer, Milan; Tabor, Edyta; Pashková, Veronika; Kaucký, Dalibor; Sobalík, Zdeněk; Wichterlová, Blanka; Dědeček, Jiří

    2016-01-01

    Roč. 344, DEC 2016 (2016), s. 157-172 ISSN 0021-9517 R&D Projects: GA ČR GA15-13876S; GA MŠk(CZ) LM2015073 Institutional support: RVO:61388955 Keywords : ZSM-5 * Al siting * Single Al Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 6.844, year: 2016

  4. 78 FR 65570 - Modification of Significant New Uses of 1-Propene, 2,3,3,3-tetrafluoro-

    Science.gov (United States)

    2013-11-01

    ... include, but are not limited to: Manufacturers or processors of the subject chemical substance (NAICS... by this action. Other types of entities not listed in this unit could also be affected. The North... modification. One of the commenters also noted a potential ambiguity in the proposed regulatory text. Part of...

  5. 75 FR 16706 - Proposed Significant New Use Rule for 1-Propene, 2,3,3,3-tetrafluoro-

    Science.gov (United States)

    2010-04-02

    ... most flammable refrigerants, including the PMN substance, in existing MVAC systems as a retrofit has... section 5(a)(2) of the Toxic Substances Control Act (TSCA) for the chemical substance identified as 1... substance for an activity that is designated as a significant new use to notify EPA at least 90 days before...

  6. 75 FR 68306 - Modification of Significant New Uses of 2-Propen-1-one, 1-(4-morpholinyl)-

    Science.gov (United States)

    2010-11-05

    ... Constitution Ave., NW., Washington, DC. Attention: Docket ID Number EPA-HQ-OPPT-2009-0669. The DCO is open from...); required establishment of a hazard communication program; prohibited domestic manufacturing; prohibited... calculated Margins of Exposure (MOEs) for predicted workplace exposures. Based on these new data, concerns...

  7. C2-C10 hydrocarbon emissions from a boreal wetland and forest floor

    Directory of Open Access Journals (Sweden)

    H. Hellén

    2006-01-01

    Full Text Available Emissions of various C2-C10 hydrocarbons (VOCs and halogenated hydrocarbons (VHOCs from a boreal wetland and a Scots pine forest floor in south-western Finland were measured by the static chamber technique. Isoprene was the main non-methane hydrocarbon emitted by the wetland, but small emissions of ethene, propane, propene, 1-butene, 2-methylpropene, butane, pentane and hexane were also detected. The isoprene emission from the wetland was observed to follow the commonly-used isoprene emission algorithm. The mean emission potential of isoprene was 224 µg m-2 h-1 for the whole season. This is lower than the emission potentials published earlier; that is probably at least partly due to the cold and cloudy weather during the measurements. No emissions were detected of monoterpenes or halogenated hydrocarbons from the wetland. The highest hydrocarbon emissions from the Scots pine forest floor were measured in spring and autumn. However, only a few measurements were conducted during summer. The main compounds emitted were monoterpenes. Isoprene emissions were negligible. The total monoterpene emission rates varied from zero to 373 µg m-2 h-1. The results indicated that decaying plant litter may be the source for these emissions. Small emissions of chloroform (100-800 ng m-2 h-1, ethene, propane, propene, 2-methylpropene, cis-2-butene, pentane, hexane and heptane were detected. Comparison with Scots pine emissions showed that the forest floor may be an important monoterpene source, especially in spring.

  8. VOCs emission characteristics and priority control analysis based on VOCs emission inventories and ozone formation potentials in Zhoushan

    Science.gov (United States)

    Wang, Qiaoli; Li, Sujing; Dong, Minli; Li, Wei; Gao, Xiang; Ye, Rongmin; Zhang, Dongxiao

    2018-06-01

    Zhoushan is an island city with booming tourism and service industry, but also has many developed VOCs and/or NOX emission industries. It is necessary to carry out regional VOCs and O3 pollution control in Zhoushan as the only new area owns the provincial economic and social administration rights. Anthropogenic VOCs emission inventories were built based on emission factor method and main emission sources were identified according to the emission inventories. Then, localized VOCs source profiles were built based on in-site sampling and referring to other studies. Furthermore, ozone formation potentials (OFPs) profiles were built through VOCs source profiles and maximum incremental reactivity (MIR) theory. At last, the priority control analysis results showed that industrial processes, especially surface coating, are the key of VOCs and O3 control. Alkanes were the most emitted group, accounting for 58.67%, while aromatics contributed the most to ozone production accounting for 69.97% in total OFPs. n-butane, m/p-xylene, i-pentane, n-decane, toluene, propane, n-undecane, o-xylene, methyl cyclohexane and ethyl benzene were the top 10 VOC species that should be preferentially controlled for VOCs emission control. However, m/p-xylene, o-xylene, ethylene, n-butane, toluene, propene, 1,2,4-trimethyl benzene, 1,3,5-trimethyl benzene, ethyl benzene and 1,2,3-trimethyl benzene were the top 10 VOC species that required preferential control for O3 pollution control.

  9. International comparison CCQM-K119 liquefied petroleum gas

    Science.gov (United States)

    Brewer, P. J.; Downey, M. L.; Atkins, E.; Brown, R. J. C.; Brown, A. S.; Zalewska, E. T.; van der Veen, A. M. H.; Smeulders, D. E.; McCallum, J. B.; Satumba, R. T.; Kim, Y. D.; Kang, N.; Bae, H. K.; Woo, J. C.; Konopelko, L. A.; Popova, T. A.; Meshkov, A. V.; Efremova, O. V.; Kustikov, Y.

    2018-01-01

    Liquefied hydrocarbon mixtures with traceable composition are required in order to underpin measurements of the composition and other physical properties of LPG (liquefied petroleum gas), thus meeting the needs of an increasingly large industrial market. This comparison aims to assess the analytical capabilities of laboratories for measuring the composition of a Liquid Petroleum Gas (LPG) mixture when sampled in the liquid phase from a Constant Pressure Cylinder. Mixtures contained ethane, propane, propene, i-butane, n-butane, but-1-ene and i-pentane with nominal amount fractions of 2, 71, 9, 4, 10, 3 and 1 cmol mol-1 respectively. Main text To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database kcdb.bipm.org/. The final report has been peer-reviewed and approved for publication by the CCQM, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).

  10. Photobehavior of aqueous uranyl ion and photo-oxygenation of isobutane using light from the visible region

    International Nuclear Information System (INIS)

    Bergfeldt, T.M.; Waltz, W.L.; Xu, X; Sedlak, P.; Dreyer, U.; Mockel, H.; Lilie, J.; Stephenson, J.W.

    2003-01-01

    The photochemical and photophysical behavior of the aqueous uranyl ion [UO 2 (H 2 O) 5 ] 2+ has been studied under the influence of visible light and with added perchloric acid over the range of 0.01-4 M. In the presence of 2-methylpropane (isobutane), photo-oxygenation of isobutane occurs to yield, as the major product, 2-methyl-2-propanol (tert-butyl alcohol) along with lesser amounts of 2-methyl-2-propene (isobutene) and other C1-C8 products. The quantum yield for formation of tert-butyl alcohol is independent of light intensity at the irradiation wavelength of 415 nm and of uranyl concentration, but it increases from 0.016 ± 0.001 at 0.01 M HC1O 4 (pH 2) to 0.13 ± 0.01 at 4 M HC1O 4 . The emission spectrum from the electronically excited uranyl ion and the associated quantum yields have been measured in the presence and absence of isobutane, as a function of added perchloric acid. While in both cases the shape of the spectrum remains invariant, the quantum yields increase with increasing perchloric acid concentration. The strong dependence on added perchloric acid is interpreted within the context of the presence and interconversion of two electronically excited species, an acid form, *[UO 2 (H 2 O) 5 ] 2+ , and a base form, *[UO 2 (H 2 O) n (OH)] + . It is proposed that both forms react with isobutane to give a tert-butyl radical, and that oxidation of coordinated aqua ligands occur, the latter generating a hydroxyl radical whose reaction with isobutane rapidly leads also to a tert-butyl radical. The reaction of this alkyl radical with ground-state [UO 2 (H 2 O) 5 ] 2+ then gives rise to the stable tert-butyl alcohol product and reduced forms of uranyl ion. Based upon the values of the quantum yields and of excited-state lifetime measurements reported in the literature, a comprehensive mechanism has been developed in a quantitative manner to provide calculated values of the rate constants for the individual mechanistic steps. The calculated rate constants

  11. Solid-state molecular organometallic chemistry. Single-crystal to single-crystal reactivity and catalysis with light hydrocarbon substrates.

    Science.gov (United States)

    Chadwick, F Mark; McKay, Alasdair I; Martinez-Martinez, Antonio J; Rees, Nicholas H; Krämer, Tobias; Macgregor, Stuart A; Weller, Andrew S

    2017-08-01

    Single-crystal to single-crystal solid/gas reactivity and catalysis starting from the precursor sigma-alkane complex [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(η 2 η 2 -NBA)][BAr F 4 ] (NBA = norbornane; Ar F = 3,5-(CF 3 ) 2 C 6 H 3 ) is reported. By adding ethene, propene and 1-butene to this precursor in solid/gas reactions the resulting alkene complexes [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(alkene) x ][BAr F 4 ] are formed. The ethene ( x = 2) complex, [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(ethene) 2 ][BAr F 4 ]-Oct , has been characterized in the solid-state (single-crystal X-ray diffraction) and by solution and solid-state NMR spectroscopy. Rapid, low temperature recrystallization using solution methods results in a different crystalline modification, [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(ethene) 2 ][BAr F 4 ]-Hex , that has a hexagonal microporous structure ( P 6 3 22). The propene complex ( x = 1) [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(propene)][BAr F 4 ] is characterized as having a π-bound alkene with a supporting γ-agostic Rh···H 3 C interaction at low temperature by single-crystal X-ray diffraction, variable temperature solution and solid-state NMR spectroscopy, as well as periodic density functional theory (DFT) calculations. A fluxional process occurs in both the solid-state and solution that is proposed to proceed via a tautomeric allyl-hydride. Gas/solid catalytic isomerization of d 3 -propene, H 2 C 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111

  12. Inline monitoring of adsorption of Butane Isomers with near infrared spectroscopy: Drift Correction in time based experiments

    NARCIS (Netherlands)

    Ferreira, A.; Boelens, H.F.M.; Westerhuis, J.A.

    2005-01-01

    Near-infrared (NIR) spectroscopy is used to monitor online a large variety of processes. Hydrocarbons with their strong NIR spectral signature are good candidate analytes. For this work, the sorption data are measured in a manometric setup coupled with online NIR spectroscopy, to monitor the bulk

  13. 4,4′-Dimethoxy-2,2′-[(butane-1,4-diyldioxybis(nitrilomethylidyne]diphenol

    Directory of Open Access Journals (Sweden)

    Yin-Xia Sun

    2010-11-01

    Full Text Available The title Schiff base bisoxime compound, C20H24N2O6, lies across an inversion centre and adopts an E configuration with respect to the C=N bond. In the molecule, the oxime group is roughly coplanar with the benzene ring, forming a dihedral angle of 1.77 (2°. An intramolecular O—H...N hydrogen bond forms a six-membered ring with an S(6 motif. Weak intermolecular C—H...O hydrogen bonding is present in the crystal structure.

  14. 2,2′-{1,1′-[Butane-1,4-diylbis(oxynitrilo]diethylidyne}di-1-naphthol

    Directory of Open Access Journals (Sweden)

    Wen-Kui Dong

    2009-06-01

    Full Text Available The title compound, C28H28N2O4, was synthesized by the reaction of 2-acetyl-1-naphthol with 1,4-bis(aminooxybutane in ethanol. The molecule, which lies about an inversion centre, adopts a linear structure, in which the oxime groups and naphthalene ring systems assume an anti conformation. The intramolecular interplanar distance between parallel naphthalene rings is 1.054 (3 Å. Intramolecular O—H...N hydrogen bonds are formed between the oxime nitrogen and hydroxy groups.

  15. N,N′-Bis[3,5-bis(2,6-diisopropylphenylphenyl]butane-2,3-diimine

    Directory of Open Access Journals (Sweden)

    Tracy L. Lohr

    2011-09-01

    Full Text Available The title molecule, C64H80N2, lies on an inversion center wherein the central butanediimine fragment [N=C(Me—C(Me=N] is essentially planar [maximum deviation = 0.002 (2 Å] and its mean plane forms a dihedral of 70.88 (10° with the attached benzene ring. In the symmetry-unique part of the molecule, the dihedral angles between the benzene ring bonded to the N atom and the other two benzene rings are 89.61 (6 and 82.77 (6°.

  16. Hexagonal mesoporous titanosilicates as support for vanadium oxide-Promising catalysts for the oxidative dehydrogenation of n-butane

    Czech Academy of Sciences Publication Activity Database

    Setnička, M.; Čičmanec, P.; Bulánek, R.; Zukal, Arnošt; Pastva, Jakub

    2013-01-01

    Roč. 204, APR 2013 (2013), s. 132-139 ISSN 0920-5861 R&D Projects: GA ČR GAP106/10/0196 Institutional support: RVO:61388955 Keywords : mesoporous titanosilicate * hexagonal mesoporous structure * vanadium Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.309, year: 2013

  17. 5,5′-Bis(diethylamino-2,2′-[butane-1,4-diyldioxybis(nitrilomethylidyne]diphenol

    Directory of Open Access Journals (Sweden)

    Wen-Kui Dong

    2008-04-01

    Full Text Available The title complex, C26H38N4O4, was synthesized by the reaction of 4-diethylamino-2-hydroxybenzaldehyde with 1,4-bis(aminooxybutane in ethanol. It crystallizes as discrete centrosymmetric molecules adopting an extended conformation where the two salicylaldoxime groups are separated from each other. Intramolecular O—H...N hydrogen bonding is observed between the hydroxy groups and oxime N atoms. Intermolecular π–π stacking interactions [3.979 (2 Å] between aromatic rings are apparent in the crystal structure. Each ethyl group is disordered over two positions; in one the site occupancy factors are 0.55 and 0.45, in the other 0.53 and 0.47.

  18. Design-theoretical study of cascade CO2 sub-critical mechanical compression/butane ejector cooling cycle

    KAUST Repository

    Petrenko, V.O.

    2011-11-01

    In this paper an innovative micro-trigeneration system composed of a cogeneration system and a cascade refrigeration cycle is proposed. The cogeneration system is a combined heat and power system for electricity generation and heat production. The cascade refrigeration cycle is the combination of a CO2 mechanical compression refrigerating machine (MCRM), powered by generated electricity, and an ejector cooling machine (ECM), driven by waste heat and using refrigerant R600. Effect of the cycle operating conditions on ejector and ejector cycle performances is studied. Optimal geometry of the ejector and performance characteristics of ECM are determined at wide range of the operating conditions. The paper also describes a theoretical analysis of the CO2 sub-critical cycle and shows the effect of the MCRM evaporating temperature on the cascade system performance. The obtained data provide necessary information to design a small-scale cascade system with cooling capacity of 10 kW for application in micro-trigeneration systems. © 2010 Elsevier Ltd and IIR. All rights reserved.

  19. CCDC 1010347: Experimental Crystal Structure Determination : (butane-1,4-diylbis(di-t-butylphosphine))-(trifluoromethanesulfonato)-palladium trifluoromethanesulfonate

    KAUST Repository

    Roesle, Philipp; Caporaso, Lucia; Schnitte, Manuel; Goldbach, Verena; Cavallo, Luigi; Mecking, Stefan

    2015-01-01

    An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  20. Design-theoretical study of cascade CO2 sub-critical mechanical compression/butane ejector cooling cycle

    KAUST Repository

    Petrenko, V.O.; Huang, B.J.; Ierin, V.O.

    2011-01-01

    In this paper an innovative micro-trigeneration system composed of a cogeneration system and a cascade refrigeration cycle is proposed. The cogeneration system is a combined heat and power system for electricity generation and heat production

  1. Durable antibacterial and cross-linking cotton with colloidal silver nanoparticles and butane tetracarboxylic acid without yellowing.

    Science.gov (United States)

    Montazer, Majid; Alimohammadi, Farbod; Shamei, Ali; Rahimi, Mohammad Karim

    2012-01-01

    Colloidal nano silver was applied on the surface of cotton fabric and stabilized using 1,2,3,4-butanetetracarboxylic acid (BTCA). The two properties of antimicrobial activity and resistance against creasing were imparted to the samples of fabric as a result of the treatment with silver nano colloid and BTCA. The antimicrobial property of samples was evaluated using two pathogenic bacteria including Escherichia coli and Staphylococcus aureus as outstanding barometers in this field. The durability of applied nanoparticles, color variation, wettability and wrinkle recovery angle of the treated samples were investigated employing related credible standards. The presence of nano silver particles on the surface of treated cotton fabric was proved using EDS spectrum as well as the SEM images. Furthermore, the creation of cross-links was confirmed by the means of both ATR-FTIR and Raman spectra. In conclusion, it was observed that BTCA plays a prominent role in stabilizing silver nanoparticle. Besides, Wettability and winkle recovery angle of finished samples decreased and increased, respectively. In addition, it is noteworthy that no obvious color variation was observed. Copyright © 2011 Elsevier B.V. All rights reserved.

  2. Autoignited laminar lifted flames of methane, ethylene, ethane, and n-butane jets in coflow air with elevated temperature

    KAUST Repository

    Choi, Byungchul; Chung, Suk-Ho

    2010-01-01

    regimes depending on the initial temperature and fuel mole fraction: (1) non-autoignited lifted flame, (2) autoignited lifted flame with tribrachial (or triple) edge, and (3) autoignited lifted flame with mild combustion. For the non-autoignited lifted

  3. Optimisation and validation of a HS-SPME-GC-IT/MS method for analysis of carbonyl volatile compounds as biomarkers in human urine: Application in a pilot study to discriminate individuals with smoking habits.

    Science.gov (United States)

    Calejo, Isabel; Moreira, Nathalie; Araújo, Ana Margarida; Carvalho, Márcia; Bastos, Maria de Lourdes; de Pinho, Paula Guedes

    2016-02-01

    A new and simple analytical approach consisting of an automated headspace solid-phase microextraction (HS-SPME) sampler coupled to gas chromatography-ion trap/mass spectrometry detection (GC-IT/MS) with a prior derivatization step with O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine hydrochloride (PFBHA) was developed to detect volatile carbonyl metabolites with low molecular weights in human urine. A central composite design (CCD) was used to optimise the PFBHA concentration and extraction conditions that affect the efficiency of the SPME procedure. With a sample volume of 1 mL, optimal conditions were achieved by adding 300 mg/L of PFBHA and allowing the sample to equilibrate for 6 min at 62°C and then extracting the samples for 51 min at the same temperature, using a divinylbenzene/polydimethylsiloxane (DVB/PDMS) fibre. The method allowed the simultaneous identification and quantification of 44 carbonyl compounds consisting of aldehydes, dialdehydes, heterocyclic aldehydes and ketones. The method was validated with regards to the linearity, inter- and intra-day precision and accuracy. The detection limits ranged from 0.009 to 0.942 ng/mL, except for 4-hydroxy-2-nonenal (15 ng/mL), and the quantification limits varied from 0.029 to 1.66 ng/mL, except for butanal (2.78 ng/mL), 2-butanone (2.67 ng/mL), 4-heptanone (3.14 ng/mL) and 4-hydroxy-2-nonenal (50.0 ng/mL). The method accuracy was satisfactory, with recoveries ranging from 90 to 107%. The proof of applicability of the methodology was performed in a pilot target analysis of urine samples obtained from 18 healthy smokers and 18 healthy non-smokers (control group). Chemometric supervised analysis was performed using the volatile patterns acquired for these samples and clearly showed the potential of the volatile carbonyl profiles to discriminate urine from smoker and non-smoker subjects. 5-Methyl-2-furfural (p<0.0001), 2-methylpropanal, nonanal and 2-methylbutanal (p<0.05) were identified as potentially useful

  4. Comparison of different real time VOC measurement techniques in a ponderosa pine forest

    Directory of Open Access Journals (Sweden)

    L. Kaser

    2013-03-01

    Full Text Available Volatile organic compound (VOC mixing ratios measured by five independent instruments are compared at a forested site dominated by ponderosa pine (Pinus Ponderosa during the BEACHON-ROCS field study in summer 2010. The instruments included a Proton Transfer Reaction Time of Flight Mass Spectrometer (PTR-TOF-MS, a Proton Transfer Reaction Quadrupole Mass Spectrometer (PTR-MS, a Fast Online Gas-Chromatograph coupled to a Mass Spectrometer (GC/MS; TOGA, a Thermal Dissociation Chemical Ionization Mass Spectrometer (PAN-CIMS and a Fiber Laser-Induced Fluorescence Instrument (FILIF. The species discussed in this comparison include the most important biogenic VOCs and a selected suite of oxygenated VOCs that are thought to dominate the VOC reactivity at this particular site as well as typical anthropogenic VOCs that showed low mixing ratios at this site. Good agreement was observed for methanol, the sum of the oxygenated hemiterpene 2-methyl-3-buten-2-ol (MBO and the hemiterpene isoprene, acetaldehyde, the sum of acetone and propanal, benzene and the sum of methyl ethyl ketone (MEK and butanal. Measurements of the above VOCs conducted by different instruments agree within 20%. The ability to differentiate the presence of toluene and cymene by PTR-TOF-MS is tested based on a comparison with GC-MS measurements, suggesting a study-average relative contribution of 74% for toluene and 26% for cymene. Similarly, 2-hydroxy-2-methylpropanal (HMPR is found to interfere with the sum of methyl vinyl ketone and methacrolein (MVK + MAC using PTR-(TOF-MS at this site. A study-average relative contribution of 85% for MVK + MAC and 15% for HMPR was determined. The sum of monoterpenes measured by PTR-MS and PTR-TOF-MS was generally 20–25% higher than the sum of speciated monoterpenes measured by TOGA, which included α-pinene, β-pinene, camphene, carene, myrcene, limonene, cineole as well as other terpenes. However, this difference is consistent throughout the study

  5. Temperature-dependent mid-IR absorption spectra of gaseous hydrocarbons

    International Nuclear Information System (INIS)

    Klingbeil, Adam E.; Jeffries, Jay B.; Hanson, Ronald K.

    2007-01-01

    Quantitative mid-IR absorption spectra (2500-3400 cm -1 ) for 12 pure hydrocarbon compounds are measured at temperatures ranging from 25 to 500 deg. C using an FTIR spectrometer. The hydrocarbons studied are n-pentane, n-heptane, n-dodecane, 2,2,4-trimethyl-pentane (iso-octane), 2-methyl-butane, 2-methyl-pentane, 2,4,4-trimethyl-1-pentene, 2-methyl-2-butene, propene, toluene, m-xylene, and ethylbenzene. Room-temperature measurements of neat hydrocarbon vapor were made with an instrument resolution of both 0.1 and 1 cm -1 (FWHM) to confirm that the high-resolution setting was required only to resolve the propene absorption spectrum while the spectra of the other hydrocarbons could be resolved with 1 cm -1 resolution. High-resolution (0.1 cm -1 ), room-temperature measurements of neat hydrocarbons were made at low pressure (∼1 Torr, 133 Pa) and compared to measurements of hydrocarbon/N 2 mixtures at atmospheric pressure to verify that no pressure broadening could be observed over this pressure range. The temperature was varied between 25 and 500 o C for atmospheric-pressure measurements of hydrocarbon/N 2 mixtures (X hydrocarbon ∼0.06-1.5%) and it was found that the absorption cross section shows simple temperature-dependent behavior for a fixed wavelength over this temperature range. Comparisons with previous FTIR data over a limited temperature range and with high-resolution laser absorption data over a wide temperature range show good agreement

  6. Characterization of hydrocarbons, halocarbons and carbonyls in the atmosphere of Hong Kong.

    Science.gov (United States)

    Guo, H; Lee, S C; Louie, P K K; Ho, K F

    2004-12-01

    Ambient air quality measurements of 156 species including 39 alkanes, 32 alkenes, 2 alkynes, 24 aromatic hydrocarbons, 43 halocarbons and 16 carbonyls, were carried out for 120 air samples collected at two sampling stations (CW and TW) in 2001 throughout Hong Kong. Spatial variations of volatile organic compounds (VOCs) in the atmosphere were investigated. Levels of most alkanes and alkenes at TW site were higher than that at the CW site, while the BTEX concentrations at the two sites were close. The BTEX ratios at CW and TW were 1.6:10.1:1.0:1.6 and 2.1:10.8:1.0:2.0, respectively. For major halogenated hydrocarbons, the mean concentrations of chloromethane, CFCs 12 and 22 did not show spatial variations at the two sites. However, site-specific differences were observed for trichloroethene and tetrachloroethene. Furthermore, there were no significant differences for carbonyls such as formaldehyde, acetaldehyde and acetone between the two sites. The levels of selected hydrocarbons in winter were 1-5 times that in summer. There were no common seasonal trends for carbonyls in Hong Kong. The ambient level of formaldehyde, the most abundant carbonyl, was higher in summer. However, levels of acetaldehyde, acetone and benzaldehyde in winter were 1.6-3.8 times that in summer. The levels of CFCs 11 and 12, and chloromethane in summer were higher than that in winter. Strong correlation of most hydrocarbons with propene and n-butane suggested that the primary contributors of hydrocarbons were vehicular emissions in Hong Kong. In addition, gasoline evaporation, use of solvents, leakage of liquefied petroleum gas (LPG), natural gas leakage and other industrial emissions, and even biogenic emissions affected the ambient levels of hydrocarbons. The sources of halocarbons were mainly materials used in industrial processes and as solvents. Correlation analysis suggested that photochemical reactions made significant contributions to the ambient levels of carbonyls in summer whereas

  7. Understanding the effect of post-synthesis ammonium treatment on the catalytic activity of Au/Ti-SBA-15 catalysts for the oxidation of propene

    NARCIS (Netherlands)

    Sacaliuc-Parvulescu, E.; Friedrich, H.; Palkovits, R.; Weckhuysen, B.M.; Nijhuis, T.A.

    2008-01-01

    Postsynthesis ammonium treatment induces a substantial increase in the catalytic activity of Au/Ti- SBA-15 catalysts for the direct vapor-phase epoxidation of propylene using hydrogen and oxygen. The PO formation rate of a calcined Au/Ti-SBA-15 catalyst prepared by this method increased from 4.3

  8. Understanding the effect of postsynthesis ammonium treatment on the catalytic activity of Au/TI-SBA-15 catalysts for the oxidation of propene

    NARCIS (Netherlands)

    Sacaliuc, E.; Friedrich, H.; Palkovits, R.; Weckhuysen, B.M.; Nijhuis, T.A.

    2008-01-01

    Postsynthesis ammonium treatment induces a substantial increase in the catalytic activity of Au/Ti-SBA-15 catalysts for the direct vapor-phase epoxidation of propylene using hydrogen and oxygen. The PO formation rate of a calcined Au/Ti-SBA-15 catalyst prepared by this method increased from 4.3 mgPO

  9. Synthesis and serotonin transporter activity of 1,3-bis(aryl)-2-nitro-1-propenes as a new class of anticancer agents

    DEFF Research Database (Denmark)

    McNamara, Yvonne M.; Cloonan, Suzanne M.; Knox, Andrew J.S.

    2011-01-01

    of the serotonin transporter, a high affinity target for amphetamines and independent of protein tyrosine phosphatases and tubulin dynamics both of which have been previously associated with nitrostyrene-induced cell death. We demonstrate that a number of these compounds induce caspase activation, PARP cleavage...... containing a classic nitrostyrene structure are shown to have antiproliferative activities in vitro in a range of malignant cell lines, particularly against Burkitt’s lymphoma derived cell lines, whilst having no effect on ‘normal’ peripheral blood mononuclear cells. Such effects appear to be independent...

  10. Chemical kinetic model uncertainty minimization through laminar flame speed measurements

    Science.gov (United States)

    Park, Okjoo; Veloo, Peter S.; Sheen, David A.; Tao, Yujie; Egolfopoulos, Fokion N.; Wang, Hai

    2016-01-01

    Laminar flame speed measurements were carried for mixture of air with eight C3-4 hydrocarbons (propene, propane, 1,3-butadiene, 1-butene, 2-butene, iso-butene, n-butane, and iso-butane) at the room temperature and ambient pressure. Along with C1-2 hydrocarbon data reported in a recent study, the entire dataset was used to demonstrate how laminar flame speed data can be utilized to explore and minimize the uncertainties in a reaction model for foundation fuels. The USC Mech II kinetic model was chosen as a case study. The method of uncertainty minimization using polynomial chaos expansions (MUM-PCE) (D.A. Sheen and H. Wang, Combust. Flame 2011, 158, 2358–2374) was employed to constrain the model uncertainty for laminar flame speed predictions. Results demonstrate that a reaction model constrained only by the laminar flame speed values of methane/air flames notably reduces the uncertainty in the predictions of the laminar flame speeds of C3 and C4 alkanes, because the key chemical pathways of all of these flames are similar to each other. The uncertainty in model predictions for flames of unsaturated C3-4 hydrocarbons remain significant without considering fuel specific laminar flames speeds in the constraining target data set, because the secondary rate controlling reaction steps are different from those in the saturated alkanes. It is shown that the constraints provided by the laminar flame speeds of the foundation fuels could reduce notably the uncertainties in the predictions of laminar flame speeds of C4 alcohol/air mixtures. Furthermore, it is demonstrated that an accurate prediction of the laminar flame speed of a particular C4 alcohol/air mixture is better achieved through measurements for key molecular intermediates formed during the pyrolysis and oxidation of the parent fuel. PMID:27890938

  11. Characteristics of atmospheric non-methane hydrocarbons during haze episode in Beijing, China.

    Science.gov (United States)

    Guo, Songjun; Tan, Jihua; Duan, Jingchun; Ma, Yongliang; Yang, Fumo; He, Kebin; Hao, Jimin

    2012-12-01

    This study firstly focused on non-methane hydrocarbons (NMHCs) during three successive days with haze episode (16-18 August 2006) in Beijing. Concentrations of alkanes, alkenes, aromatic hydrocarbons, and ethyne all peaked at traffic rush hour, implying vehicular emission; and alkanes also peaked at non-traffic rush hour in the daytime, implying additional source. Especially, alkanes and aromatics clearly showed higher levels in the nighttime than that in the daytime, implying their active photochemical reactions in the daytime. Correlation coefficients (R (2)) showed that propane, n-butane, i-butane, ethene, propene, and benzene correlated with ethyne (R (2) = 0.61-0.66), suggesting that their main source is vehicular emission; 2-methylpentane and n-hexane correlated with i-pentane (R (2) = 0.61-0.64), suggesting that gasoline evaporation is their main source; and ethylbezene, m-/p-xylene, and o-xylene correlated with toluene (R (2) = 0.60-0.79), suggesting that their main source is similar to that of toluene (e.g., solvent usage). The R (2) of ethyne, i-pentane, and toluene with total NMHCs were 0.58, 0.76, and 0.60, respectively, indicating that ambient hydrocarbons are associated with vehicular emission, gasoline evaporation, and solvent usage. The sources of other hydrocarbons (e.g., ethane) might be natural gas leakage, biogenic emission, or long-range transport of air pollutants. Measured higher mean B/T ratio (0.78 ± 0.27) was caused by the more intensive photochemical activity of toluene than benzene, still indicating the dominant emission from vehicles.

  12. Effect of strain rate on sooting limits in counterflow diffusion flames of gaseous hydrocarbon fuels: Sooting temperature index and sooting sensitivity index

    KAUST Repository

    Wang, Yu

    2014-05-01

    The effect of the strain rate on the sooting limits in counterflow diffusion flames was investigated in various gaseous hydrocarbon fuels by varying the nitrogen dilution in the fuel and oxidizer streams. The sooting limit was defined as the critical fuel and oxygen mole fraction at which soot started to appear in the elastic light scattering signal. The sooting region for normal alkane fuels at a specified strain rate, in terms of the fuel and oxygen mole fraction, expanded as the number of carbon atoms increased. The alkene fuels (ethylene, propene) tested had a higher propensity for sooting as compared with alkane fuels with the same carbon numbers (ethane, propane). Branched iso-butane had a higher propensity for sooting than did n-butane. An increase in the strain rate reduced the tendency for sooting in all the fuels tested. The sensitivity of the sooting limit to the strain rate was more pronounced for less sooting fuels. When plotted in terms of calculated flame temperature, the critical oxygen mole fraction exhibited an Arrhenius form under sooting limit conditions, which can be utilized to significantly reduce the effort required to determine sooting limits at different strain rates. We found that the limiting temperatures of soot formation flames are viable sooting metrics for quantitatively rating the sooting tendency of various fuels, based on comparisons with threshold soot index and normalized smoke point data. We also introduce a sooting temperature index and a sooting sensitivity index, two quantitative measures to describe sooting propensity and its dependence on strain rate. © 2013 The Combustion Institute.

  13. Isothermal vapour-liquid equilibria data of methanol + propan-2-OL ...

    African Journals Online (AJOL)

    methylpropan-2-ol binary mixtures are investigated at 333.15k, using gas chromatographic technique. ... The y-x plots reveals that the mixtures methanol + propan-2-ol and methanol +2-methylpropan-2-ol deviate strongly from ideal solution behaviour.

  14. Molecular and vibrational structure of thiosulfonate S-esters

    DEFF Research Database (Denmark)

    Luu, Thi Xuan Thi; Duus, Fritz; Spanget-Larsen, Jens

    2013-01-01

    S-methyl methanethiosulfonate (1), S-ethyl ethanethiosulfonate (2), S-isopropyl propane-2-thiosulfonate (3), S-tert-butyl 2-methylpropane-2-thiosulfonate (4), and S-phenyl benzenethiosulfonate (5) were investigated by FTIR spectroscopy in liquid solution and by quantum chemical calculations (B3LYP...

  15. Evaluation of Kinetic and Mechanistic Data for Modeling of Photochemical Smog

    International Nuclear Information System (INIS)

    Atkinson, R.; Lloyd, A.C.

    1984-01-01

    This review is a critical evaluation of the rate constants, mechanisms, and products of selected atmospheric reactions of hydrocarbons, nitrogen oxides, and sulfur oxides in air. The evaluation considers eight hydrocarbons (n-butane, 2,3-dimethylbutane, ethene, propene, 1-butene, trans-2-butene, toluene, and m-xylene) for which smog chamber irradiations have been carried out under carefully controlled conditions and which have been the subject of computer modeling studies by more than one research group. The reactions involved are treated in the following categories: inorganic reactions in organic-NO/sub x/-air irradiations; organic reactions of the formaldehyde-NO/sub x/-air system; organic reactions of the acetaldehyde-NO/sub x/-air system; organic reactions of the alkene-NO/sub x/-air systems; organic reactions of the alkane-NO/sub x/-air systems; organic reactions of selected carbonyl-NO/sub x/-air systems; organic reactions of the aromatic-NO/sub x/-air systems; combination reactions of peroxy radicals, and homogeneous gas phase SO 2 reactions. This report considers literature through early 1983

  16. Gas-Phase Reactions of Doubly Charged Lanthanide Cations with Alkanes and Alkenes. Trends in Metal(2+) Reactivity

    Energy Technology Data Exchange (ETDEWEB)

    Gibson, John K.; Marcalo, Joaquim; Santos, Marta; Pires de Matos, Antonio; Haire, Richard G.

    2008-12-08

    The gas-phase reactivity of doubly-charged lanthanide cations, Ln2+ (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu), with alkanes (methane, ethane, propane, n-butane) and alkenes (ethene, propene, 1-butene) was studied by Fourier transform ion cyclotron resonance mass spectrometry. The reaction products consisted of different combinations of doubly-charged organometallic ions?adducts or species formed via metal-ion-induced hydrogen, dihydrogen, alkyl, or alkane eliminations from the hydrocarbons?and singly-charged ions that resulted from electron, hydride, or methide transfers from the hydrocarbons to the metal ions. The only lanthanide cations capable of activating the hydrocarbons to form doubly-charged organometallic ions were La2+, Ce2+, Gd2+, and Tb2+, which have ground-state or low-lying d1 electronic configurations. Lu2+, with an accessible d1 electronic configuration but a rather high electron affinity, reacted only through transfer channels. The remaining Ln2+ reacted via transfer channels or adduct formation. The different accessibilities of d1 electronic configurations and the range of electron affinities of the Ln2+ cations allowed for a detailed analysis of the trends for metal(2+) reactivity and the conditions for occurrence of bond activation, adduct formation, and electron, hydride, and methide transfers.

  17. Characteristics of atmospheric non-methane hydrocarbons during high PM 10 episodes and normal days in Foshan, China

    Science.gov (United States)

    Guo, Songjun; Tan, Jihua; Ma, Yongliang; Yang, Fumo; Yu, Yongchan; Wang, Jiewen

    2011-08-01

    Atmospheric non-methane hydrocarbons (NMHCs) were firstly studied during high PM 10 episodes and normal days in December 2008 in Foshan, China. Ethyne, ethene, i-pentane, toluene, ethane and propane are six abundant hydrocarbons, accounting for round 80% of total NMHCs. Both diurnal variations and concentration ratios of morning (evening)/afternoon implied vehicular emission for most hydrocarbons. Correlation coefficients (R 2) of ethene, propene, i-butene, benzene, toluene and i-/n-butanes with ethyne were 0.60-0.88 (they were 0.64-0.88 during high PM 10 episode and 0.60-0.85 in normal days) except for ethene and i-butene in normal days, indicating these hydrocarbons are mainly related to vehicular emission. It suggests liquefied petroleum gas (LPG) and natural gas (NG) leakages are responsible for propane and ethane, respectively. The measured mean benzene/toluene (B/T) ratio (wt/wt) was 0.45 ± 0.29 during total sampling periods together with R 2 analysis, again indicating vehicular emission is main contributor to ambient hydrocarbons. And the lower B/T ratio (0.29 ± 0.11) during high PM 10 episodes than that (0.75 ± 0.29) in normal days is likely caused by air transport containing low B/T value (0.23) from Guangzhou as well as solvent application containing toluene in Foshan.

  18. Pyrolytic product characteristics of biosludge from the wastewater treatment plant of a petrochemical industry.

    Science.gov (United States)

    Lin, Kuo-Hsiung; Hsu, Hui-Tsung; Ko, Ya-Wen; Shieh, Zhu-Xin; Chiang, Hung-Lung

    2009-11-15

    Biosludge was produced from the wastewater treatment plant of a petrochemical industry. The element compositions of pyrolytic residues, CO, CO(2), NOx, SOx, total hydrocarbons and detailed volatile organic compounds of pyrolytic gas, and C, H, N, S content and compositions in biofuel were determined in this study. Generally, 75-80% water content in sludge cakes and about 65-70% weight of water vapor and volatile compounds were volatilized during the drying process. Propene, propane, 1-butene, n-butane, isobutene, toluene and benzene were the major volatile organic compounds (VOCs) of the pyrolytic gas, and the concentrations for most of the top 20 VOC species were greater than 5 ppm. C(5)-C(9) compounds contributed 60% by weight of biofuel; 4-hydroxy-4-methyl-2-pentanone was the highest species, accounting for 28-53% of biofuel at various pyrolytic temperatures. Based on the dried residues, there was 8.5-13% weight in pyrolytic residues, 62-82% weight in liquid products (water and crude oil) and 5.8-30% weight in the gas phase after pyrolytic processing at 500-800 degrees C. Finally, 1.5-2.5 wt% liquid fuel was produced after the distillation process. The pyrolytic residues could be reused, the pyrolytic liquid product could be used as a fuel after distillation, and the pyrolytic gas could be recycled in the pyrolytic process to achieve non-toxic discharge and reduce the cost of sludge disposal.

  19. A dynamic dilution system-based evaluation of the procedure adopted for determining ozone precursor volatile compounds.

    Science.gov (United States)

    Palluau, Fabienne; Mirabel, Philippe; Millet, Maurice

    2005-02-01

    A dynamic dilution system was created to evaluate the performance and the reliability of ozone precursor volatile organic compound (VOC) sampling ("TO-Can" canisters) and analysis (thermal desorption/gas chromatography/flame ionisation detection) techniques used by the "Laboratoire Interregional de Chimie du Grand Est (LIC)". Different atmospheres of VOCs were generated at concentrations between 0.8 and 25 ppb, with temperatures of 0, 10, 20 and 30 degrees C, and with relative humidities of 0, 30, 50, 70 and 90%. These conditions are generally representative of those commonly observed in ambient air in the eastern France. This dynamic dilution allows the simulation of a wide range of scenarios (concentrations, temperatures and relative humidities). After assessing the capacity and performance of the system, it was applied in order to evaluate the recoveries and stabilities of VOCs from canisters used for the collection and analysis of two mixtures of VOCs. The first mixture contained six alkanes (ethane, propane, butane, pentane, hexane and heptane), and the second contained five alkenes (ethene, propene, butene, 1-pentene and 1-hexene), five aromatics (benzene, toluene, ethylbenzene, m-xylene and o-xylene), acetylene, and 1,3-butadiene. No significant losses of alkanes from the canisters were observed after 21 days of storage, and good recoveries of alkanes from the canisters (>80%) were obtained regardless of the concentration, the temperature and the relative humidity. However, losses of certain aromatics were noted at low relative humidity.

  20. {μ2-6,6′-Dimethoxy-2,2′-[butane-1,4-diylbis(nitrilomethylidyne]diphenolato}trinitratocopper(IIneodymium(III

    Directory of Open Access Journals (Sweden)

    Jing-Chun Xing

    2010-11-01

    Full Text Available In the title complex, [CuNd(C20H22N2O4(NO33], the CuII ion is coordinated in a distorted square-planar environment by two O atoms and two N atoms of a tetradentate Schiff base ligand. The NdIII ion is ten-coordinated by three bis-chelating nitrate groups and four O atoms of the Schiff base ligand. The atoms of one of the nitrato ligands are disordered over two sets of sites, with refined occupancies of 0.567 (13 and 0.433 (17.

  1. Crystal structure of [butane-2,3-dione bis(4-methylthiosemicarbazonato-κ4S,N1,N1′,S′](pyridine-κNzinc(II

    Directory of Open Access Journals (Sweden)

    Oliver C. Brown

    2015-11-01

    Full Text Available In the structure of the title complex, [Zn(C8H14N6S2(C5H5N], the ZnII ion has a pseudo-square-pyramidal coordination environment and is displaced by 0.490 Å from the plane of best fit defined by the bis(thiosemicarbazonate N2S2 donor atoms. Chains sustained by intermolecular N—H...N and N—H...S hydrogen-bonding interactions extend parallel to [10-1].

  2. The accurate computer simulation of phase equilibrium for complex fluid mixtures. Application to binaries involving isobutene, methanol, MTBE, and n-butane

    Czech Academy of Sciences Publication Activity Database

    Lísal, Martin; Smith, W. R.; Nezbeda, Ivo

    1999-01-01

    Roč. 103, č. 47 (1999), s. 10496-10505 ISSN 1089-5647 R&D Projects: GA ČR GA203/98/1446; GA AV ČR IAA4072712 Grant - others:OGP(CA) 1041 Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.265, year: 1999

  3. (2Z,2′Z-Diethyl 3,3′-[butane-1,4-diylbis(azanediyl]bis(but-2-enoate

    Directory of Open Access Journals (Sweden)

    Mohamed Anouar Harrad

    2012-10-01

    Full Text Available The whole molecule of the title β-enaminoester, C16H28N2O4, is generated by a crystallographic inversion center, situated at the mid-point of the central C—C bond of the 1,4-diaminobutane segment. There are two intramolecular N—H...O hydrogen bonds that generate S(6 ring motifs. This leads to the Z conformation about the C=C bonds [1.3756 (17 Å]. The molecule is S-shaped with the planar central 1,4-diaminobutane segment [maximum deviation for non H-atoms = 0.0058 (13 Å] being inclined to the ethyl butylenonate fragment [C—C—O—C—C=C—C; maximum deviation = 0.0710 (12 Å] by 15.56 (10°. In the crystal, molecules are linked via C—H...O interactions, leading to the formation of an undulating two-dimensional network lying parallel to the bc plane.

  4. Butane-1,4-diammonium bis(pyridine-2,6-dicarboxylato-κ3O2,N,O6cadmate(II dihydrate

    Directory of Open Access Journals (Sweden)

    Najmeh Firoozi

    2008-10-01

    Full Text Available In the title compound, (C4H14N2[Cd(C7H3NO42]·2H2O, the CdII ion is coordinated by four O atoms [Cd—O = 2.2399 (17–2.2493 (17 Å] and two N atoms [Cd—N = 2.3113 (15 and 2.3917 (15 Å] from two tridentate pyridine-2,6-dicarboxylato ligands in a distorted octahedral geometry. The uncoordinated water molecules are involved in O—H...O and N—H...O hydrogen bonds, which contribute to the formation of a three-dimensional supramolecular structure, along with π–π stacking interactions [centroid–centroid distances of 3.5313 (13 and 3.6028 (11 Å between the pyridine rings of neighbouring dianions].

  5. Coarse grain simulations of the influence of adsorbate-adsorbate interactions on adsorption and diffusion of n-butane in silicalite-1

    Czech Academy of Sciences Publication Activity Database

    Jagoda-Cwiklik, Barbara; Cwiklik, Lukasz

    2007-01-01

    Roč. 445, 1/3 (2007), s. 42-46 ISSN 0009-2614 Institutional research plan: CEZ:AV0Z40550506 Keywords : Monte Carlo * adsorption * difusion Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.207, year: 2007

  6. Lactone Enol Cation-Radicals. Gas-Phase Generation, Structure, Energetics, and Reactivity of the Ionized Enol of Butane-4-Lactone

    Czech Academy of Sciences Publication Activity Database

    Tureček, F.; Vivekananda, S.; Sadílek, M.; Polášek, Miroslav

    2002-01-01

    Roč. 37, - (2002), s. 829-839 ISSN 1076-5174 R&D Projects: GA ČR GA203/00/0632 Institutional research plan: CEZ:AV0Z4040901 Keywords : lactone enol ions * dissociation mechanisms * isotope effects Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.781, year: 2002

  7. A Selected-Ion-Flow-Drift-Tube Study of Charge Transfer Processes between Atomic, Molecular, and Dimer Ion Projectiles and Polyatomic Molecules Ethane, Propane, and n-Butane

    Czech Academy of Sciences Publication Activity Database

    Praxmarer, C.; Hansel, A.; Lindinger, W.; Herman, Zdeněk

    1998-01-01

    Roč. 109, č. 11 (1998), s. 4246-4251 ISSN 0021-9606 R&D Projects: GA ČR GA203/97/0351 Grant - others:FFWF(AT) P12429 Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.147, year: 1998

  8. Removal of small hydrocarbons (ethane, propane, butane) from natural gas streams using the ionic 1-ethyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate

    NARCIS (Netherlands)

    Althuluth, M.A.M.; Mota Martinez, M.T.; Berrouk, A.S.; Kroon, M.C.; Peters, C.J.

    2014-01-01

    From our earlier work it was found that the ionic liquid (IL) 1-ethyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate ([emim][FAP]) shows a very high carbon dioxide (CO2) solubility and a low methane (CH4) solubility, with the consequence that this ionic liquid has a high CO2/CH4

  9. Adsorption kinetics and dynamics of small organic molecules on a silica wafer: Butane, pentane, nonane, thiophene, and methanol adsorption on SiO2/Si(1 1 1)

    International Nuclear Information System (INIS)

    Funk, S.; Goering, J.; Burghaus, U.

    2008-01-01

    The adsorption kinetics (by thermal desorption spectroscopy) and adsorption dynamics (by molecular beam scattering) have been determined for a number of alkanes, methanol, thiophene, and water on a silica wafer-SiO 2 /Si(1 1 1). No indications for bond activation were present, i.e., all probe molecules adsorb molecularly obeying 1st order kinetics. The coverage-dependent heat of adsorption has been determined accordingly. The adsorption dynamics are precursor-mediated with Kisliuk-like shapes of the adsorption probabilities at low impact energies and adsorbate-assisted adsorption at large impact energies

  10. Partial oxidation of Raffinate II and other mixtures of n-Butane and n-Butenes to maleic anhydride in a fixed-bed reactor

    OpenAIRE

    Brandstädter, Willi Michael

    2008-01-01

    The utilisation of the C4 streams of steamcrackers by converting raffinate II to maleic anhydride was studied. The oxidation reactions were investigated in a laboratory-scale fixed-bed reactor to determine reaction kinetics. The effects of pore diffusional resistance were investigated and explained. A two-dimensional pseudo-homogeneous reactor model was used for the simulation of a production-scale fixed-bed reactor. A flow scheme of the reactor section including a recycle was proposed.

  11. Butane-1,2,3,4-tetraol-based amphiphilic stereoisomers for membrane protein study: importance of chirality in the linker region

    DEFF Research Database (Denmark)

    Das, Manabendra; Du, Yang; Mortensen, Jonas S.

    2017-01-01

    of the targeted membrane proteins depending on the chirality of the linker region. These findings indicate an important role for detergent stereochemistry in membrane protein stabilization. In addition, we generally observed enhanced detergent efficacy with increasing alkyl chain length, reinforcing...

  12. Synthesis, characterization and testing of a new V2O5/Al2O3−MgO catalyst for butane dehydrogenation and limonene oxidation

    NARCIS (Netherlands)

    Strassberger, Z.; Ramos-Fernandez, E.V.; Boonstra, A.; Jorna, R.; Tanase, S.; Rothenberg, G.

    2013-01-01

    We report the synthesis and characterization of new V2O5/Al2O3-MgO catalysts and their application in oxidative dehydrogenation and epoxidation reactions. The materials were prepared by wet impregnation under excess acid conditions. Anchoring of the desired species on the support occurs via an

  13. HPLC Determination of α-Keto Acids from Human Serum Using 2, 3-Diamino-2, 3- Dimethyl Butane as Derivatizing Reagent

    International Nuclear Information System (INIS)

    Mahar, K.P.; Shar, G.Q.; Khuhawar, M.Y.; Abbasi, K.U.; Azmat, R.; Jameel Ahmed Biag, J.A.

    2013-01-01

    Seven α-keto acids, pyruvic acid (PYR), 2-oxobutyric acid (KB), 3-methyl-2-oxobutyric acid (MKBA), 3-methyl-2-oxovaleric acid (K3MVA), 4-methyl-2-oxovaleric acid (K4MVA), 2-oxoglutaric acid (KG) and Phenyl pyruvic acid (PPY) as derivatives of 2,3-diamino-2,3-dimethybutane (DDB) were separated by HPLC column Zorbax C-18 (4.6x150 mm-id). The compounds were eluted with methanol-water-acetonitrile (40:58:2 V/V/V) with flow rate 1 ml/min. UV detection was carried out by photodiode array at 255 nm. Linear calibration plots were obtained with 0.1 to 60 μg/ml with limits of detection (LoD) within 0.04-0.4 μg/ml. The method was applied for the analysis of α-keto acids from serum of diabetic patients with blood glucose level 430-458 mg/dl and healthy volunteers. The amounts of α-keto acids observed 3.24-9.71 μg/ml with RSD 1.1-1.9 percentage in diabetic patients were higher than healthy volunteer's 0.11-1.3 μg/ml with RSD 0.9-2.6 percentage. (author)

  14. catena-Poly[{μ3-4,4′,6,6′-tetrabromo-2,2′-[butane-1,4-diylbis(nitrilomethanylylidene]diphenolato}{μ2-4,4′,6,6′-tetrabromo-2,2′-[butane-1,4-diylbis(nitrilomethanylylidene]diphenolato}dicopper(II

    Directory of Open Access Journals (Sweden)

    Hadi Kargar

    2012-07-01

    Full Text Available The asymmetric unit of the title coordination polymer consists of a dinuclear neutral complex molecule of formula [Cu2(C18H14Br4N2O22]n. One of the CuII ions is coordinated in a distorted square-planar geometry, whereas the other is coordinated in a distorted square-pyramidal geometry, the long apical Cu—O bond [2.885 (4 Å] of the square-pyramidal coordination being provided by a symmetry-related O atom creating a one-dimensional polymer along [010]. π–π stacking interactions [centroid–centroid distance = 3.783 (4 Å] and short interchain Br...Br interactions [3.6142 (12–3.6797 (12 Å] are observed.

  15. Volumetric Behaviour of the Ternary System (Methyl Tert-butyl ether + Methylbenzene + Butan-1-ol) and Its Binary sub-System (Methyl Tert-Butyl Ether + Butan-1-ol) within the Temperature Range (298.15–328.15) K

    Czech Academy of Sciences Publication Activity Database

    Morávková, Lenka; Troncoso, J.; Škvorová, M.; Havlica, Jaromír; Petrus, P.; Sedláková, Zuzana

    2015-01-01

    Roč. 90, NOV 2015 (2015), s. 59-70 ISSN 0021-9614 R&D Projects: GA ČR(CZ) GAP105/12/0664; GA MŠk(CZ) LD14094 Grant - others:GNIL(IT) 408 REGALIs (CN2012/120) Institutional support: RVO:67985858 Keywords : methylbenzene * density * methyl-tert-butyl ether Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 2.196, year: 2015

  16. Formation of clusters (ions solvated with products of radiolysis) during irradiation of certain chloralkanes in the condensed phase

    International Nuclear Information System (INIS)

    Sukhov, F.F.; Karatun, A.A.; Slovokhotova, N.A.

    1983-01-01

    Using the infrared spectroscopy method, the radiolysis of the 2-chloropropane and 2-chloro-2-methylpropane was investigated in various phase states and in argon matrix at 15 and 77 K. A conclusion is drawn that the reaction of the radiation dehydrochlorination in the chloralkanes investigated occurs under certain conditions in the vicinity of ions, mostly; as this takes place, unique clusters composed of radiolysis products, i.e. ions solvated with complexes of alkane and hydrogen chloride are being formed. (author)

  17. Decadal changes in emissions of volatile organic compounds (VOCs) from on-road vehicles with intensified automobile pollution control: Case study in a busy urban tunnel in south China.

    Science.gov (United States)

    Zhang, Yanli; Yang, Weiqiang; Simpson, Isobel; Huang, Xinyu; Yu, Jianzhen; Huang, Zhonghui; Wang, Zhaoyi; Zhang, Zhou; Liu, Di; Huang, Zuzhao; Wang, Yujun; Pei, Chenglei; Shao, Min; Blake, Donald R; Zheng, Junyu; Huang, Zhijiong; Wang, Xinming

    2018-02-01

    In the efforts at controlling automobile emissions, it is important to know in what extent air pollutants from on-road vehicles could be truly reduced. In 2014 we conducted tests in a heavily trafficked tunnel in south China to characterize emissions of volatile organic compounds (VOC) from on-road vehicle fleet and compared our results with those obtained in the same tunnel in 2004. Alkanes, aromatics, and alkenes had average emission factors (EFs) of 338, 63, and 42 mg km -1 in 2014 against that of 194, 129, and 160 mg km -1 in 2004, respectively. In 2014, LPG-related propane, n-butane and i-butane were the top three non-methane hydrocarbons (NMHCs) with EFs of 184 ± 21, 53 ± 6 and 31 ± 3 mg km -1 ; the gasoline evaporation marker i-pentane had an average EF of 17 ± 3 mg km -1 ; ethylene and propene were the top two alkenes with average EFs of 16 ± 1 and 9.7 ± 0.9 mg km -1 , respectively; isoprene had no direct emission from vehicles; toluene showed the highest EF of 11 ± 2 mg km -1 among the aromatics; and acetylene had an average EF of 7 ± 1 mg km -1 . While EFs of total NMHCs decreased only 9% from 493 ± 120 mg km -1 in 2004 to 449 ± 40 mg km -1 in 2014, their total ozone formation potential (OFP) decreased by 57% from 2.50 × 10 3  mg km -1 in 2004 to 1.10 × 10 3  mg km -1 in 2014, and their total secondary organic aerosol formation potential (SOAFP) decreased by 50% from 50 mg km -1 in 2004 to 25 mg km -1 in 2014. The large drop in ozone and SOA formation potentials could be explained by reduced emissions of reactive alkenes and aromatics, due largely to fuel transition from gasoline/diesel to LPG for taxis/buses and upgraded vehicle emission standards. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Effectiveness of replacing catalytic converters in LPG-fueled vehicles in Hong Kong

    Directory of Open Access Journals (Sweden)

    X. Lyu

    2016-05-01

    Full Text Available Many taxis and public buses are powered by liquefied petroleum gas (LPG in Hong Kong. With more vehicles using LPG, they have become the major contributor to ambient volatile organic compounds (VOCs in Hong Kong. An intervention program which aimed to reduce the emissions of VOCs and nitrogen oxides (NOx from LPG-fueled vehicles was implemented by the Hong Kong government in September 2013. Long-term real-time measurements indicated that the program was remarkably effective in reducing LPG-related VOCs, NOx and nitric oxide (NO in the atmosphere. Receptor modeling results further revealed that propane, propene, i-butane, n-butane and NO in LPG-fueled vehicle exhaust emissions decreased by 40.8 ± 0.1, 45.7 ± 0.2, 35.7 ± 0.1, 47.8 ± 0.1 and 88.6 ± 0.7 %, respectively, during the implementation of the program. In contrast, despite the reduction of VOCs and NOx, O3 following the program increased by 0.40 ± 0.03 ppbv (∼  5.6 %. The LPG-fueled vehicle exhaust was generally destructive to OH and HO2. However, the destruction effect weakened for OH and it even turned to positive contribution to HO2 during the program. These changes led to the increases of OH, HO2 and HO2 ∕ OH ratio, which might explain the positive O3 increment. Analysis of O3–VOCs–NOx sensitivity in ambient air indicated VOC-limited regimes in the O3 formation before and during the program. Moreover, a maximum reduction percentage of NOx (i.e., 69 % and the lowest reduction ratio of VOCs ∕ NOx (i.e., 1.1 in LPG-fueled vehicle exhaust were determined to give a zero O3 increment. The findings are of great help to future formulation and implementation of control strategies on vehicle emissions in Hong Kong, and could be extended to other regions in China and around the world.

  19. Release of volatile organic compounds (VOCs from the lung cancer cell line CALU-1 in vitro

    Directory of Open Access Journals (Sweden)

    Schubert Jochen

    2008-11-01

    Full Text Available Abstract Background The aim of this work was to confirm the existence of volatile organic compounds (VOCs specifically released or consumed by lung cancer cells. Methods 50 million cells of the human non-small cell lung cancer (NSCLC cell line CALU-1 were incubated in a sealed fermenter for 4 h or over night (18 hours. Then air samples from the headspace of the culture vessel were collected and preconcentrated by adsorption on solid sorbents with subsequent thermodesorption and analysis by means of gas chromatography mass spectrometry (GC-MS. Identification of altogether 60 compounds in GCMS measurement was done not only by spectral library match, but also by determination of retention times established with calibration mixtures of the respective pure compounds. Results The results showed a significant increase in the concentrations of 2,3,3-trimethylpentane, 2,3,5-trimethylhexane, 2,4-dimethylheptane and 4-methyloctane in the headspace of CALU-1 cell culture as compared to medium controls after 18 h. Decreased concentrations after 18 h of incubation were found for acetaldehyde, 3-methylbutanal, butyl acetate, acetonitrile, acrolein, methacrolein, 2-methylpropanal, 2-butanone, 2-methoxy-2-methylpropane, 2-ethoxy-2-methylpropane, and hexanal. Conclusion Our findings demonstrate that certain volatile compounds can be cancer-cell derived and thus indicative of the presence of a tumor, whereas other compounds are not released but seem to be consumed by CALU-1 cells.

  20. The TOMCAT global chemical transport model v1.6: description of chemical mechanism and model evaluation

    Directory of Open Access Journals (Sweden)

    S. A. Monks

    2017-08-01

    Full Text Available This paper documents the tropospheric chemical mechanism scheme used in the TOMCAT 3-D chemical transport model. The current scheme includes a more detailed representation of hydrocarbon chemistry than previously included in the model, with the inclusion of the emission and oxidation of ethene, propene, butane, toluene and monoterpenes. The model is evaluated against a range of surface, balloon, aircraft and satellite measurements. The model is generally able to capture the main spatial and seasonal features of high and low concentrations of carbon monoxide (CO, ozone (O3, volatile organic compounds (VOCs and reactive nitrogen. However, model biases are found in some species, some of which are common to chemistry models and some that are specific to TOMCAT and warrant further investigation. The most notable of these biases are (1 a negative bias in Northern Hemisphere (NH winter and spring CO and a positive bias in Southern Hemisphere (SH CO throughout the year, (2 a positive bias in NH O3 in summer and a negative bias at high latitudes during SH winter and (3 a negative bias in NH winter C2 and C3 alkanes and alkenes. TOMCAT global mean tropospheric hydroxyl radical (OH concentrations are higher than estimates inferred from observations of methyl chloroform but similar to, or lower than, multi-model mean concentrations reported in recent model intercomparison studies. TOMCAT shows peak OH concentrations in the tropical lower troposphere, unlike other models which show peak concentrations in the tropical upper troposphere. This is likely to affect the lifetime and transport of important trace gases and warrants further investigation.

  1. Fundamental and semi-global kinetic mechanisms for hydrocarbon combustion. Final report, March 1977-October 1980

    Energy Technology Data Exchange (ETDEWEB)

    Dryer, F L; Glassman, I; Brezinsky, K

    1981-03-01

    Over the past three and one half years, substantial research efforts of the Princeton Fuels Research Group have been directed towards the development of simplified mechanisms which would accurately describe the oxidation of hydrocarbons fuels. The objectives of this combustion research included the study of semi-empirical modeling (that is an overall description) of the chemical kinetic mechanisms of simple hydrocarbon fuels. Such fuels include the alkanes: ethane, propane, butane, hexane and octane as well as the critically important alkenes: ethene, propene and butene. As an extension to this work, the study of the detailed radical species characteristics of combustion systems was initiated as another major aspect of the program, with emphasis on the role of the OH and HO/sub 2/ radicals. Finally, the studies of important alternative fuel problems linked the program to longer range approaches to the energy supply question. Studies of alternative fuels composed the major elements of this area of the program. The efforts on methanol research were completed, and while the aromatics aspects of the DOE work have been a direct extension of efforts supported by the Air Force Office of Scientific Research, they represented a significant part of the overall research effort. The emphasis in the proposed program is to provide further fundamental understanding of the oxidation of hydrocarbon fuels which will be useful in guiding engineering approaches. Although the scope of program ranges from the fundamentals of chemical kinetics to that of alternative fuel combustion, the objective in mind is to provide insight and guidance to the understanding of practical combustion environments. The key to our approach has been our understanding of the fundamental combustion chemistry and its relation to the important practical combustion problems which exist in implementing energy efficient, alternate fuels technologies.

  2. Tempo-spatial variation of emission inventories of speciated volatile organic compounds from on-road vehicles in China

    Directory of Open Access Journals (Sweden)

    H. Cai

    2009-09-01

    Full Text Available Emission inventories of sixty-seven speciated non-methane volatile organic compounds (NMVOC from on-road vehicles in China were estimated for the period of 1980–2005, using seven NMVOC emission profiles, which were summarized based on local and international measurements from published literatures dealing with specific vehicle categories running under particular modes.

    Results show an exponential growth trend of China's historical emissions of alkanes, alkenes, alkines, aromatics and carbonyls during the period of 1980–2005, increasing from 63.9, 39.3, 6.9, 36.8 and 24.1 thousand tons, respectively, in 1980 to 2778.2, 1244.5, 178.7, 1351.7 and 406.0 thousand tons, respectively, in 2005, which coincided well with China's economic growth. Emission inventories of alkenes, aromatics and carbonyls were gridded at a high resolution of 40 km×40 km for air quality simulation and health risk evaluation, using the geographic information system (GIS methodology. Spatial distribution of speciated NMVOC emissions shows a clear difference in emission densities between developed eastern and relatively underdeveloped western and inland China. Besides, the appearance and expansion of high-emission areas was another notable characteristic of spatial distribution of speciated NMVOC emissions during the period.

    Emission contributions of vehicle categories to speciated NMVOC groups showed annual variation, due to the variance in the provincial emissions and in the relative fractions of the seven emission profiles adopted at the provincial level. Highly reactive and toxic compounds accounted for high proportions of emissions of speciated NMVOC groups. The most abundant compounds were isopentane, pentane and butane from alkanes; ethene, propene, 2-methyl-2-butene and ethyne from alkenes and alkines; benzene, toluene, ethylbenzene, o-xylene, and m,p-xylene (BTEX and 1,2,4-trimethylbenzene from aromatics and formaldehyde, acetaldehyde

  3. Propensão ao Endividamento no Município de Santa Maria (RS: verificando diferenças em variáveis demográficas e culturais

    Directory of Open Access Journals (Sweden)

    Vieira, Kelmara Mendes

    2014-12-01

    Full Text Available This study tried to investigate, considering regard the individuals’ possible financial difficulties and the importance of indebtedness for economy, the propensity to indebtedness from inhabitants of Santa Maria (RS, with the aim to know the spending’ profile, as well as demographic and cultural variables related to propensity to indebtedness. We conducted a survey research, having sampled 1,046 respondents. The data has been collected through a structured questionnaire composed by two sections, the first section is related to demographic and social respondents’ variables, and also questions about credit and spending, the second one is related to the propensity to indebtedness. With regard to the analysis of results, descriptive statistics has been used to demographic and cultural variables, and ANOVA analysis to evaluate the differences in average between groups. The comparison between groups have shown difference in propensity to indebtedness in relation to marital status, schooling level, occupation, income, religion, age and spending. It can be observed that most groups with more tendency to indebtedness are single and widowers, with lower schooling level (primary and secondary school, with no occupation, low income, with no religion, young people (until 22 years old and who spend more than they earn. In general, this study has shown that inhabitants of Santa Maria can be characterized in a more conservative behavior, showing low level to indebtedness.

  4. Synergy Effects of the Mixture of Bismuth Molybdate Catalysts with SnO2/ZrO2/MgO in Selective Propene Oxidation and the Connection between Conductivity and Catalytic Activity

    DEFF Research Database (Denmark)

    Le, Minh Thang; Do, Van Hung; Truong, Duc Duc

    2016-01-01

    Bismuth molybdate catalysts have been used for partial oxidation and ammoxidation of light hydrocarbons since the 1950s. In particular, there is the synergy effect (the enhancement of the catalytic activity in the catalysts mixed from different components) in different phases of bismuth molybdate...... catalysts which has been observed and studied since the 1980s; however, despite it being interpreted differently by different research groups, there is still no decisive conclusion on the origin of the synergy effect that has been obtained. The starting idea of this work is to find an answer......, impregnation, and sol-gel methods. The mixtures were characterized by XRD, BET, XPS, and EDX techniques to determine the phase composition and surface properties. The conductivities of these samples were recorded at the catalytic reaction temperature (300-450 degrees C). Comparison of the catalytic activities...

  5. Theoretical Kinetic Study of the Unimolecular and H-Assisted Keto-Enol Tautomerism Propen-2-ol ↔Acetone. Pressure Effects and Implications in the Pyrolysis and Oxidation of tert- And 2-Butanol

    KAUST Repository

    Grajales Gonzalez, Edwing Javier

    2018-01-01

    and variational transition state theory were considered in a wide temperature and pressure range (200 K – 3000 K, 0.1 kPa – 108 kPa). It was observed that decreasing pressure leads to a decrease in rate constants, describing the expected falloff behavior for both

  6. Sorption Hysteresis of Light Hydrocarbons and Carbon Dioxide in Shale and Kerogen

    KAUST Repository

    Zhao, Huangjing

    2017-11-20

    We present adsorption and desorption isotherms of methane, ethane, propane, n-butane and iso-butane as well as carbon dioxide for two shales and isolated kerogens determined by a gravimetric method. The sorption measurements of two shales were performed at three different temperatures, 308.15, 323.15, and 338.15 K. For the isolated kerogens, the measurements were conducted at 338.15 K. Methane and ethane sorption isotherms were measured to 35 bar. Carbon dioxide sorption isotherms were studied to 30 bar. Due to the low vapor pressure at room temperature, the sorption isotherms of propane, n-butane and iso-butane were measured to 8, 2, and 2 bar, respectively. The adsorptions of propane, n-butane, and iso-butane were much higher than methane at the highest pressures where the measurements were conducted. The adsorption of n-butane was 10 times higher than methane by mole at 2 bar, followed by iso-butane and propane. Our data show significant adsorption hysteresis in ethane, propane, n-butane and iso-butane. The most pronounced hysteresis was found in n-butane and iso-butane. Significant hysteresis is attributed to the reversible structural changes of kerogens. Dissolution of adsorbates into organic matter may also affect the hysteresis. This is the first report of propane and butane sorption isotherms in shales.

  7. Sorption Hysteresis of Light Hydrocarbons and Carbon Dioxide in Shale and Kerogen

    KAUST Repository

    Zhao, Huangjing; Lai, Zhiping; Firoozabadi, Abbas

    2017-01-01

    We present adsorption and desorption isotherms of methane, ethane, propane, n-butane and iso-butane as well as carbon dioxide for two shales and isolated kerogens determined by a gravimetric method. The sorption measurements of two shales were performed at three different temperatures, 308.15, 323.15, and 338.15 K. For the isolated kerogens, the measurements were conducted at 338.15 K. Methane and ethane sorption isotherms were measured to 35 bar. Carbon dioxide sorption isotherms were studied to 30 bar. Due to the low vapor pressure at room temperature, the sorption isotherms of propane, n-butane and iso-butane were measured to 8, 2, and 2 bar, respectively. The adsorptions of propane, n-butane, and iso-butane were much higher than methane at the highest pressures where the measurements were conducted. The adsorption of n-butane was 10 times higher than methane by mole at 2 bar, followed by iso-butane and propane. Our data show significant adsorption hysteresis in ethane, propane, n-butane and iso-butane. The most pronounced hysteresis was found in n-butane and iso-butane. Significant hysteresis is attributed to the reversible structural changes of kerogens. Dissolution of adsorbates into organic matter may also affect the hysteresis. This is the first report of propane and butane sorption isotherms in shales.

  8. LPG fuels in France in 1997

    International Nuclear Information System (INIS)

    Anon.

    1998-01-01

    This short note gives a statement of the sales of butane, propane and LPG fuels in France during the year 1997. Details are given for conditioned butane and propane products, cylinders and fixed reservoirs. (J.S.)

  9. A study of the removal of heavy metals from aqueous solutions by Moringa oleifera seeds and amine-based ligand 1,4-bis[N,N-bis(2-picoyl)amino]butane

    International Nuclear Information System (INIS)

    Obuseng, Veronica; Nareetsile, Florence; Kwaambwa, Habauka M.

    2012-01-01

    Highlights: ► Materials are effective and selective in simultaneous removal of heavy metal ions. ► Use of composite adsorbent of both materials may result in more effective material. ► Seeds biomass has various functional groups involves in metal removal. ► Attainment of sorption equilibrium is rapid for the seeds biomass. ► Seeds biomass effectiveness is not affected over wide effective pH range. - Abstract: Uptake for lead, copper, cadmium, nickel and manganese from aqueous solution using the Moringa oleifera seeds biomass (MOSB) and amine-based ligand (ABL) was investigated. Experiments on two synthetic multi-solute systems revealed that MOSB performed well in the biosorption and followed the decreasing orders Pb(II) > Cu(II) > Cd(II) > Ni(II) > Mn(II) and Zn(II) > Cu(II) > Ni(II). The general trend of the heavy metal ions uptake by the amine-based ligand followed decreased in the order Mn > Cd > Cu > Ni > Pb, which is the reverse trend for what was observed for MOSB. Comparing the single- and multi-metal solutions, there was no clear effect in the biosorption capacity of MOSB suggesting the presence of sufficient active binding sites for all metal ions studied. The MOSB performance is also not affected by pH in the range 3.5–8.

  10. Radical Addition Reactions of Fluorinated Species. Part 8. Rigioselectivity of Radical Additions to Perfluoroalkylethylenes and Quantum Chemical Calculations. Highly Selective Two-Step Synthesis of 4-(Perfluoroalkyl)Butane-1,2-diols

    Czech Academy of Sciences Publication Activity Database

    Církva, Vladimír; Böhm, S.; Paleta, O.

    2000-01-01

    Roč. 102, - (2000), s. 159-168 ISSN 0022-1139 R&D Projects: GA ČR GA203/98/1174; GA MŠk LB98233 Institutional research plan: CEZ:AV0Z4072921 Subject RIV: CC - Organic Chemistry Impact factor: 0.851, year: 2000

  11. Radical Additions to Fluoroolefins. Photochemical Fluoroalkylation of Alkanols and Alkane Diols with Perfluoro Vinyl Ethers; Photo-Supported O-Alkylation of Butane-1,4-Diol with Hexafluoropropene

    Czech Academy of Sciences Publication Activity Database

    Církva, Vladimír; Polák, R.; Paleta, O.

    1996-01-01

    Roč. 80, č. 2 (1996), s. 135-144 ISSN 0022-1139 Institutional research plan: CEZ:AV0Z4072921 Keywords : radical addition * regioselectivity * perfluoroolefins Subject RIV: CC - Organic Chemistry Impact factor: 0.689, year: 1996

  12. catena-Poly[copper(II-{μ3-4,4′-dibromo-2,2′-[butane-1,4-diylbis(nitrilomethanylylidene]diphenolato-κ4N,O:N′,O′:O′}

    Directory of Open Access Journals (Sweden)

    Hadi Kargar

    2011-04-01

    Full Text Available The asymmetric unit of the title coordination polymer, [Cu(C18H16Br2N2O2]n, consists of a Schiff base complex in which a crystallographic twofold rotation axis bisects the central C—C bonds of the n-butyl spacers of the designated Schiff base ligands, making symmetry-related dimer units, which are twisted around CuII atoms in a bis-bidentate coordination mode. In the crystal, these dimeric units are connected through Cu—O bonds, forming one-dimensional coordination polymers, which propagate along [001]. The CuII atom adopts a square-based pyramidal coordination geometry, being coordinated by two N and two O atoms of symmetry-related ligands and by a third O atom of a neighboring complex. Furthermore, intermolecular π–π interactions [centroid–centroid distance = 3.786 (2 Å] and C—H...O interactions stabilize the crystal packing.

  13. catena-Poly[[[dichloridozinc(II]-μ-1,4-bis(1H-benzimidazol-2-yl-κN3butane] 1,4-bis(1H-benzimidazol-2-ylbutane solvate

    Directory of Open Access Journals (Sweden)

    Yan-Ling Zhou

    2010-01-01

    Full Text Available In the crystal structure of the title coordination polymer/co-crystal, {[ZnCl2(C18H18N4]·C18H18N4}n, the tetrahedrally coordinated ZnII ions are linked by the N-heterocycle into a linear chain. Another N-heterocycle present is not coordinated to the metal atom but interacts with the chain through N—H...N and N—H...Cl hydrogen bonds. The butyl chain of the uncoordinated ligand is disordered over three positions in a 0.511 (4:0.289 (5:0.200 (5 ratio.

  14. Theoretical study and design of a low-grade heat-driven pilot ejector refrigeration machine operating with butane and isobutane and intended for cooling of gas transported in a gas-main pipeline

    KAUST Repository

    Petrenko, V.O.; Volovyk, O.S.

    2011-01-01

    This paper describes the construction and performance of a novel combined system intended for natural gas transportation and power production, and for cooling of gas transported in a gas-main pipeline. The proposed system includes a gas turbine

  15. A study of the removal of heavy metals from aqueous solutions by Moringa oleifera seeds and amine-based ligand 1,4-bis[N,N-bis(2-picoyl)amino]butane

    Energy Technology Data Exchange (ETDEWEB)

    Obuseng, Veronica; Nareetsile, Florence [Department of Chemistry, University of Botswana, Private Bag UB 00704, Gaborone (Botswana); Kwaambwa, Habauka M., E-mail: hmkwaambwa@yahoo.com [Department of Chemistry, University of Botswana, Private Bag UB 00704, Gaborone (Botswana)

    2012-06-12

    Highlights: Black-Right-Pointing-Pointer Materials are effective and selective in simultaneous removal of heavy metal ions. Black-Right-Pointing-Pointer Use of composite adsorbent of both materials may result in more effective material. Black-Right-Pointing-Pointer Seeds biomass has various functional groups involves in metal removal. Black-Right-Pointing-Pointer Attainment of sorption equilibrium is rapid for the seeds biomass. Black-Right-Pointing-Pointer Seeds biomass effectiveness is not affected over wide effective pH range. - Abstract: Uptake for lead, copper, cadmium, nickel and manganese from aqueous solution using the Moringa oleifera seeds biomass (MOSB) and amine-based ligand (ABL) was investigated. Experiments on two synthetic multi-solute systems revealed that MOSB performed well in the biosorption and followed the decreasing orders Pb(II) > Cu(II) > Cd(II) > Ni(II) > Mn(II) and Zn(II) > Cu(II) > Ni(II). The general trend of the heavy metal ions uptake by the amine-based ligand followed decreased in the order Mn > Cd > Cu > Ni > Pb, which is the reverse trend for what was observed for MOSB. Comparing the single- and multi-metal solutions, there was no clear effect in the biosorption capacity of MOSB suggesting the presence of sufficient active binding sites for all metal ions studied. The MOSB performance is also not affected by pH in the range 3.5-8.

  16. Volumetric Behaviour of the (2,2,4-Trimethylpentane + Methylbenzene + Butan-1-ol) Ternary System and Its Binary Sub-Systems within the Temperature Range (298.15–328.15) K

    Czech Academy of Sciences Publication Activity Database

    Morávková, Lenka; Troncoso, J.; Machanová, Karolina; Sedláková, Zuzana

    2013-01-01

    Roč. 64, SEP 2013 (2013), s. 137-150 ISSN 0021-9614 R&D Projects: GA ČR GAP106/10/1194 Grant - others:MŠMT(CZ) CZ.1.05/2.1.00/03.0071; UV(IT) CN2012/227; UV(IT) 11VIA16 Institutional support: RVO:67985858 Keywords : excess molar volume * density * ERAS model Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.423, year: 2013

  17. Two polymeric nickel(II) complexes with aromatic benzene-1,2,4,5-tetracarboxylate and pyridine-2,5-dicarboxylate linkers.

    Science.gov (United States)

    Atria, Ana María; Corsini, Gino; González, Lissette; Garland, Maria Teresa; Baggio, Ricardo

    2009-07-01

    (Mu-benzene-1,2,4,5-tetracarboxylato-kappa(2)O(1):O(4))bis[aquabis(2,2-methylpropane-1,3-diamine-kappa(2)N,N')nickel(II)] methanol disolvate tetrahydrate, [Ni(2)(C(10)H(2)O(8))(C(5)H(14)N(2))(4)(H(2)O)(2)].2CH(4)O.4H(2)O, (I), is dinuclear, with elemental units built up around an inversion centre halving the benzene-1,2,4,5-tetracarboxylate (btc) anion, which bridges two symmetry-related Ni(II) cations. The octahedral Ni polyhedron is completed by two chelating 2,2-methylpropane-1,3-diamine (dmpda) groups and a terminal aqua ligand. Two methanol and four water solvent molecules are involved in a number of N-H...O and O-H...O hydrogen bonds which define a strongly bound two-dimensional supramolecular structure. The structure of catena-poly[[[bis(2,2-methylpropane-1,3-diamine-kappa(2)N,N')nickel(II)]-mu-pyridine-2,5-dicarboxylato-kappa(3)O(5):N,O(2)-[(2,2-methylpropane-1,3-diamine-kappa(2)N,N')nickel(II)]-mu-pyridine-2,5-dicarboxylato-kappa(3)N,O(2):O(5)] octahydrate], {[Ni(2)(C(7)H(3)NO(4))(2)(C(5)H(14)N(2))(3)].8H(2)O}(n), (II), is polymeric, forming twisted chains around three independent Ni centres, two of which lie on inversion centres and the third in a general position. There are three chelating dmpda ligands (one disordered over two equally populated positions), which are each attached to a different cation, and two pyridine-2,5-dicarboxylate (pdc) anions, both chelating the Ni centre in general positions through an -O-C-C-N- loop, while acting as bridges to the remaining two centrosymmetric Ni atoms. There are, in addition, eight noncoordinated water molecules in the structure, some of which are disordered.

  18. Oxidative conversion of propane over lithium-promoted magnesia catalyst. I. Kinetics and mechanism

    NARCIS (Netherlands)

    Leveles, L.; Seshan, Kulathuiyer; Lercher, J.A.; Lefferts, Leonardus

    2003-01-01

    Oxidative conversion of lower alkanes over lithium-promoted magnesia catalysts offers a viable alternative for propene and ethene production. The catalytic performance of propane oxidative dehydrogenation and cracking shows yields up to 50% of olefin (propene and ethene). The reaction kinetics were

  19. Alkylation of isobutane with light olefins catalyzed by zeolite beta

    NARCIS (Netherlands)

    Nivarthy, G.S.; Feller, A.P.; Seshan, Kulathuiyer; Lercher, J.A.

    2000-01-01

    Alkylation of isobutane with ethene and propene was studied over an H-BEA catalyst in a well-stirred reactor. Under similar conditions of space velocity and paraffin-to-olefin feed ratio, lower initial olefin conversions were observed with ethene or propene than those reported earlier for butene.

  20. Ambient pressure microplasmas for the direct synthesis of Hydrogen Peroxide in the gas phase

    NARCIS (Netherlands)

    Vasko, C.A.; Bruggeman, P.J.

    2011-01-01

    In this work, a plasma generates hydrogen peroxide (H2O2) to be used for the insitu epoxidation of propene to propene oxide, a major bulk material in the chemical industry. Microplasmas can improve the overall cost-effectiveness of an industrial production process and are especially suitable for

  1. Investigation of Adsorbed Gases Content in Coal Beds in Bosnia and Herzegovina

    Directory of Open Access Journals (Sweden)

    Sadadinovic, J.

    2008-09-01

    Full Text Available Investigation of the gas fraction in coal beds in Bosnia & Herzegovina has been performed systematically since 1988. Gas in coal beds can be present in free or adsorbed form, and dissolved in water. Methods of investigation are based on the direct approach, according to which the gas fraction is determined in the undisturbed coal bed.The quantity of the adsorbed and free gas in the coal bed is directly proportional to the gas pressure. Dependence is hyperbolic. The quantity of the free gas in mining conditions is being determined by measurement of the desorption index (Δp2. The desorption index for the Srednjobosanski coal basin ranges to 1571 Pa, and the free gas pressure in this coal basin amounts up to 3.75 MPa. The desorption index for coal beds in “Kreka” and “Banoviće” coal basins has negative values, which means that the free gas fraction within the coal beds is negligible, while separation of adsorbed gases is diffuse. The free gas pressure in the mentioned coal basins is below 0.1 MPa. Adsorbed gases within the coal are connected by physical adsorption according to Langmuir’s isothermal adsorption curve. Langmuir’s quantities, for coal bed conditions, ranges as follows: am from 0.826 to 9.52 m3 t–1 pcs, and b from 6.65 10–3 to 0.247 MPa–1. Adsorbed gas within Miocene coal beds contains methane in amounts of 1.49 m3 t–1 čus CH4 andcarbon(IVoxide in amounts of 0.15 m3 t–1 čus CO2. Adsorbed gas within Pliocene coal beds, without methane, dominant is content of carbon(IVoxide.The investigation of the gas content in coal beds of BiH conducted in this article reveal that the coal beds primarily contain methane, while others hydrocarbons such as ethane, ethene, propane, propene and butane are present sporadically in fraction below φ/10–6. Based on the investigation results conducted in this article, simple mathematical forms were obtained for quick calculation of the free gas quantity by measurement of the

  2. Heterogeneous Partial (ammOxidation and Oxidative Dehydrogenation Catalysis on Mixed Metal Oxides

    Directory of Open Access Journals (Sweden)

    Jacques C. Védrine

    2016-01-01

    Full Text Available This paper presents an overview of heterogeneous partial (ammoxidation and oxidative dehydrogenation (ODH of hydrocarbons. The review has been voluntarily restricted to metal oxide-type catalysts, as the partial oxidation field is very broad and the number of catalysts is quite high. The main factors of solid catalysts for such reactions, designated by Grasselli as the “seven pillars”, and playing a determining role in catalytic properties, are considered to be, namely: isolation of active sites (known to be composed of ensembles of atoms, Me–O bond strength, crystalline structure, redox features, phase cooperation, multi-functionality and the nature of the surface oxygen species. Other important features and physical and chemical properties of solid catalysts, more or less related to the seven pillars, are also emphasized, including reaction sensitivity to metal oxide structure, epitaxial contact between an active phase and a second phase or its support, synergy effect between several phases, acid-base aspects, electron transfer ability, catalyst preparation and activation and reaction atmospheres, etc. Some examples are presented to illustrate the importance of these key factors. They include light alkanes (C1–C4 oxidation, ethane oxidation to ethylene and acetic acid on MoVTe(SbNb-O and Nb doped NiO, propene oxidation to acrolein on BiMoCoFe-O systems, propane (ammoxidation to (acrylonitrile acrylic acid on MoVTe(SbNb-O mixed oxides, butane oxidation to maleic anhydride on VPO: (VO2P2O7-based catalyst, and isobutyric acid ODH to methacrylic acid on Fe hydroxyl phosphates. It is shown that active sites are composed of ensembles of atoms whose size and chemical composition depend on the reactants to be transformed (their chemical and size features and the reaction mechanism, often of Mars and van Krevelen type. An important aspect is the fact that surface composition and surface crystalline structure vary with reaction on stream until

  3. Structure-guided engineering of Lactococcus lactis alcohol dehydrogenase LlAdhA for improved conversion of isobutyraldehyde to isobutanol

    KAUST Repository

    Liu, Xiang

    2013-03-01

    We have determined the X-ray crystal structures of the NADH-dependent alcohol dehydrogenase LlAdhA from Lactococcus lactis and its laboratory-evolved variant LlAdhA(RE1) at 1.9Å and 2.5Å resolution, respectively. LlAdhA(RE1), which contains three amino acid mutations (Y50F, I212T, and L264V), was engineered to increase the microbial production of isobutanol (2-methylpropan-1-ol) from isobutyraldehyde (2-methylpropanal). Structural comparison of LlAdhA and LlAdhA(RE1) indicates that the enhanced activity on isobutyraldehyde stems from increases in the protein\\'s active site size, hydrophobicity, and substrate access. Further structure-guided mutagenesis generated a quadruple mutant (Y50F/N110S/I212T/L264V), whose KM for isobutyraldehyde is ∼17-fold lower and catalytic efficiency (kcat/KM) is ∼160-fold higher than wild-type LlAdhA. Combining detailed structural information and directed evolution, we have achieved significant improvements in non-native alcohol dehydrogenase activity that will facilitate the production of next-generation fuels such as isobutanol from renewable resources.

  4. Protection of Petroleum Pipeline Carbon Steel Alloys with New Modified Core-Shell Magnetite Nanogel against Corrosion in Acidic Medium

    Directory of Open Access Journals (Sweden)

    Gamal A. El Mahdy

    2013-01-01

    Full Text Available New method was used to prepare magnetite nanoparticle based on reduction of Fe(III ions with potassium iodide to produce Fe3O4 nanoparticle. The prepared magnetite was stabilized with cross-linked polymer based on 2-acrylamido-2-methylpropane sulfonic acid (AMPS to prepare novel core-shell nanogel. In this respect, Fe3O4/poly(2-acrylamido-2-methylpropane sulfonic acid (PAMPS magnetic nanogels with controllable particle size produced via free aqueous polymerization at 65°C have been developed for the first time. The polymer was crosslinked in the presence of N,N-methylenebisacrylamide (MBA as a crosslinker and potassium peroxydisulfate (KPS as redox initiator system. The structure and morphology of the magnetic nanogel were characterized by Fourier transform infrared spectroscopy (FTIR and transmission and scanning electron microscopy (TEM and SEM. The effectiveness of the synthesized compounds as corrosion inhibitors for carbon steel in 1 M HCl was investigated by various electrochemical techniques such as potentiodynamic polarization and electrochemical impedance spectroscopy (EIS. The results showed enhancement in inhibition efficiencies with increasing the inhibitor concentrations. The results showed that the nanogel particles act as mixed inhibitors. EIS data revealed that Rct increases with increasing inhibitor concentration.

  5. Impact of the counterion on the solubility and physicochemical properties of salts of carboxylic acid drugs.

    Science.gov (United States)

    David, S E; Timmins, P; Conway, B R

    2012-01-01

    Salt formation is a widely used approach to improve the physicochemical and solid state properties of an active pharmaceutical ingredient. In order to better understand the relationships between the active drug, the selected counterion and the resultant salt form, crystalline salts were formed using four different carboxylic acid drugs and a closely related series of amine counterions. Thirty-six related crystalline salts were prepared, characterized and the relationship between solubility and dissolution behaviour and other properties of the salt and the counterion studied. Salts of four model acid drugs, gemfibrozil, flurbiprofen, ibuprofen and etodolac were prepared using the counterions butylamine, hexylamine, octylamine, benzylamine, cyclohexylamine, tert-butylamine, 2-amino-2-methylpropan-1-ol, 2-amino-2-methylpropan-1,3-diol and tris(hydroxymethyl)aminomethane. Salt formation was confirmed, the salts were characterized and their corresponding solubilities determined and rationalized with respect to the counterions' properties. The properties of the salt highly dependent on the nature of the counterion and, although there is considerable variation, some general conclusion can be drawn. For the alkyl amines series, increasing chain length leads to a reduction in solubility across all the acidic drugs studied and a reduction in melting point, thus contradicting simplistic relationships between solubility and melting point. Small, compact counterions consistently produce crystalline salts with high melting point accompanied with a modest improvement in solubility and the nature of hydrogen bonding between the ions has a major impact on the solubility.

  6. Light alkane (mixed feed) selective dehydrogenation using bi ...

    African Journals Online (AJOL)

    ... refinery processes and their catalytic dehydrogenation gives corresponding alkenes. ... was prepared by sequentional impregnation method and characterized by BET, ... Optimum propene selectivity is about 48 %, obtained at 600 oC and ...

  7. Well-defined single-site monohydride silica-supported zirconium from azazirconacyclopropane

    KAUST Repository

    Hamzaoui, Bilel

    2015-01-13

    The silica-supported azazirconacyclopropane ≡SiOZr(HNMe2)(η2-NMeCH2)(NMe2) (1) leads exclusively under hydrogenolysis conditions (H2, 150°C) to the single-site monopodal monohydride silica-supported zirconium species ≡SiOZr(HNMe2)(NMe2)2H (2). Reactivity studies by contacting compound 2 with ethylene, hydrogen/ethylene, propene, or hydrogen/propene, at a temperature of 200°C revealed alkene hydrogenation.

  8. Well-defined single-site monohydride silica-supported zirconium from azazirconacyclopropane

    KAUST Repository

    Hamzaoui, Bilel; El Eter, Mohamad; Abou-Hamad, Edy; Chen, Yin; Pelletier, Jeremie; Basset, Jean-Marie

    2015-01-01

    The silica-supported azazirconacyclopropane ≡SiOZr(HNMe2)(η2-NMeCH2)(NMe2) (1) leads exclusively under hydrogenolysis conditions (H2, 150°C) to the single-site monopodal monohydride silica-supported zirconium species ≡SiOZr(HNMe2)(NMe2)2H (2). Reactivity studies by contacting compound 2 with ethylene, hydrogen/ethylene, propene, or hydrogen/propene, at a temperature of 200°C revealed alkene hydrogenation.

  9. 75 FR 17706 - Flint Hills Resources, LP, Complainant v. Mid-America Pipeline Company, LLC, Respondent; Notice...

    Science.gov (United States)

    2010-04-07

    ... ``eSubscription'' link on the Web site that enables subscribers to receive e-mail notification when a document is added to a subscribed docket(s). For assistance with any FERC Online service, please e-mail... rates for transporting butane, isobutane, natural gasoline, naphtha and refinery grade butane on the...

  10. elucidating the mechanism of the adsorption of mucin

    African Journals Online (AJOL)

    dcu user

    Kinetic and mechanistic studies of electron transfer reaction of butane-1,3-diol and Cr(VI) ion in ... The oxidation of diols other than. 1,2-diols by transition metal ions and their complexes has received little attention. An increased interest in these reactions was noticed after the oxidation of propane-1,3-, butane-1,3- and ...

  11. Deasphalting solvents

    International Nuclear Information System (INIS)

    Carrillo, J. A; Caceres, J; Vela, G; Bueno, H

    1996-01-01

    This paper describes how the deasphalted oil (DMO) or demetalized oil (DMO) quality (CCR, Ni, V end asphaltenes contents) changes with: DAO or DMO yield, solvent/feed ratio, type of vacuum reside (from paraffinic to blends with vis breaking bottoms), extraction temperature and extraction solvent (propane, propylene, n-butane and I butane)

  12. Determination of Henry’s law constant of light hydrocarbon gases at low temperatures

    International Nuclear Information System (INIS)

    Mohebbi, V.; Naderifar, A.; Behbahani, R.M.; Moshfeghian, M.

    2012-01-01

    Highlights: ► Henry’s constants of light hydrocarbon gases are reported at low temperatures. ► Solubility of iso-butane in water at low temperatures (275 K to 293 K) was measured. ► An expression of Krichevsky–Kasarnovsky equation is reported. - Abstract: The solubility of i-butane in water at the low temperatures was measured (274 K to 293 K). Additionally, Henry’s law constants of light hydrocarbons (methane, ethane, propane, i-butane, and n-butane) in water at the low temperatures are reported. A modified equation based on Krichevsky–Kasarnovsky equation is proposed to consider the effect of pressure and temperature on the equation parameters. Results show that Henry’s law constant of the selected components depends on temperature. It is deduced that pressure has a considerable effect on Henry’s law constant for methane, ethane, and propane, whereas this dependency for butanes is negligible.

  13. Metabolic Profiling of Lactococcus lactis Under Different Culture Conditions

    Directory of Open Access Journals (Sweden)

    Normah Mohd Noor

    2012-07-01

    Full Text Available Gas chromatography mass spectrometry (GC-MS and headspace gas chromatography mass spectrometry (HS/GC-MS were used to study metabolites produced by Lactococcus lactis subsp. cremoris MG1363 grown at a temperature of 30 °C with and without agitation at 150 rpm, and at 37 °C without agitation. It was observed that L. lactis produced more organic acids under agitation. Primary alcohols, aldehydes, ketones and polyols were identified as the corresponding trimethylsilyl (TMS derivatives, whereas amino acids and organic acids, including fatty acids, were detected through methyl chloroformate derivatization. HS analysis indicated that branched-chain methyl aldehydes, including 2-methylbutanal, 3-methylbutanal, and 2-methylpropanal are degdradation products of isoleucine, leucine or valine. Multivariate analysis (MVA using partial least squares discriminant analysis (PLS-DA revealed the major differences between treatments were due to changes of amino acids and fermentation products.

  14. Use of gas chromatography-olfactometry to identify key odorant compounds in dark chocolate. Comparison of samples before and after conching.

    Science.gov (United States)

    Counet, Christine; Callemien, Delphine; Ouwerx, Caroline; Collin, Sonia

    2002-04-10

    After vacuum distillation and liquid-liquid extraction, the volatile fractions of dark chocolates were analyzed by gas chromatography-olfactometry and gas chromatography-mass spectrometry. Aroma extract dilution analysis revealed the presence of 33 potent odorants in the neutral/basic fraction. Three of these had a strong chocolate flavor: 2-methylpropanal, 2-methylbutanal, and 3-methylbutanal. Many others were characterized by cocoa/praline-flavored/nutty/coffee notes: 2,3-dimethylpyrazine, trimethylpyrazine, tetramethylpyrazine, 3(or 2),5-dimethyl-2(or 3)-ethylpyrazine, 3,5(or 6)-diethyl-2-methylpyrazine, and furfurylpyrrole. Comparisons carried out before and after conching indicate that although no new key odorant is synthesized during the heating process, levels of 2-phenyl-5-methyl-2-hexenal, Furaneol, and branched pyrazines are significantly increased while most Strecker aldehydes are lost by evaporation.

  15. Control of two-phase erosion corrosion with the amine 5-aminopentanol: rig and plant trials

    International Nuclear Information System (INIS)

    Lewis, G.G.; Greene, J.C.; Tyldesley, J.D.; Wetton, E.A.M.; Fountain, M.J.

    1994-01-01

    Control of two-phase erosion corrosion in the once through mild steel boilers of the gas cooled nuclear power station at Wylfa was achieved by using the amine 2-amino, 2 methylpropan-1-ol (AMP). In a search to find a more cost effective amine, 5-aminopentanol (5-AP) emerged, from a laboratory based programme to determine basicity and volatility, as the most promising candidate. The effectiveness of 5-AP in controlling erosion corrosion was demonstrated in a rig test, carried out on a full scale replica of a Wylfa boiler tube. Following on from the rig test, a plant trial at Wylfa PS demonstrated 5-AP's superior thermal stability (compared to AMP). It also provided confirmation that the laboratory generated data on basicity and volatility was applicable to plant and hence also the accuracy of the figures for predicted amine usage. (orig.)

  16. Polymerization of novel methacrylated anthraquinone dyes

    Directory of Open Access Journals (Sweden)

    Christian Dollendorf

    2013-02-01

    Full Text Available A new series of polymerizable methacrylated anthraquinone dyes has been synthesized by nucleophilic aromatic substitution reactions and subsequent methacrylation. Thereby, green 5,8-bis(4-(2-methacryloxyethylphenylamino-1,4-dihydroxyanthraquinone (2, blue 1,4-bis(4-((2-methacryloxyethyloxyphenylaminoanthraquinone (6 and red 1-((2-methacryloxy-1,1-dimethylethylaminoanthraquinone (12, as well as 1-((1,3-dimethacryloxy-2-methylpropan-2-ylaminoanthraquinone (15 were obtained. By mixing of these brilliant dyes in different ratios and concentrations, a broad color spectrum can be generated. After methacrylation, the monomeric dyes can be covalently emplaced into several copolymers. Due to two polymerizable functionalities, they can act as cross-linking agents. Thus, diffusion out of the polymer can be avoided, which increases the physiological compatibility and makes the dyes promising compounds for medical applications, such as iris implants.

  17. Separation of PCR-ready DNA from dairy products using magnetic hydrophilic microspheres and poly(ethylene glycol)-NaCl water solutions

    Energy Technology Data Exchange (ETDEWEB)

    Rittich, Bohuslav [Masaryk University, Faculty of Science, Institute of Experimental Biology, Tvrdeho 14, CZ-611 37 Brno (Czech Republic); Brno University of Technology, Faculty of Chemistry, Institute of Food Science and Biotechnology, Purkynova 464/118, CZ-612 00 Brno (Czech Republic)], E-mail: rittich@sci.muni.cz; Spanova, Alena [Masaryk University, Faculty of Science, Institute of Experimental Biology, Tvrdeho 14, CZ-611 37 Brno (Czech Republic); Brno University of Technology, Faculty of Chemistry, Institute of Food Science and Biotechnology, Purkynova 464/118, CZ-612 00 Brno (Czech Republic); Salek, Petr [Brno University of Technology, Faculty of Chemistry, Institute of Food Science and Biotechnology, Purkynova 464/118, CZ-612 00 Brno (Czech Republic); Nemcova, Petra [Masaryk University, Faculty of Science, Institute of Experimental Biology, Tvrdeho 14, CZ-611 37 Brno (Czech Republic); Trachtova, Stepanka [Brno University of Technology, Faculty of Chemistry, Institute of Food Science and Biotechnology, Purkynova 464/118, CZ-612 00 Brno (Czech Republic); Horak, Daniel [Institute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, Heyrovsky Sq. 2, CZ-162 06 Prague (Czech Republic)

    2009-05-15

    Carboxyl group-containing magnetic nonporous poly(2-hydroxyethyl methacrylate-co-glycidyl methacrylate) (P(HEMA-co-GMA)) and magnetic glass microspheres were used for the isolation of bacterial DNA. P(HEMA-co-GMA) microspheres were prepared by the dispersion polymerization in toluene/2-methylpropan-1-ol mixture in the presence of magnetite nanoparticles obtained by coprecipitation of Fe(II) and Fe(III) salts with ammonium hydroxide. Carboxyl groups were then introduced by oxidation of the microspheres with potassium permanganate. The most extensive DNA recovery was achieved at PEG 6000 concentrations of 12% or 16% and 2 M NaCl. The method proposed was used for bacterial DNA isolation from different dairy products containing Bifidobacterium and Lactobacillus cells. The presence of target DNA and the quality of isolated DNA were checked by polymerase chain reaction (PCR) amplification with specific primers.

  18. [μ-1,1′-(Butane-1,4-diyldi-1H-benzimidazole-κ2N3:N3′]bis{[N,N′-bis(carboxymethylethylenediamine-N,N′-diacetato-κ5O,O′,O′′,N,N′]mercury(II} methanol disolvate

    Directory of Open Access Journals (Sweden)

    Gang-Sen Li

    2009-08-01

    Full Text Available The binuclear title complex, [Hg2(C10H14N2O82(C18H18N4]·2CH3OH, lies on an inversion center with the unique HgII ion coordinated in a disorted octahedral environment with one Hg—N bond significantly shorter than the other two. In the crystal structure, intermolecular O—H...O hydrogen bonds link complex and solvent molecules into a three-dimensional network.

  19. C-H and C-C activation of n -butane with zirconium hydrides supported on SBA15 containing N-donor ligands: [(≡SiNH-)(≡SiX-)ZrH2], [(≡SiNH-)(≡SiX-)2ZrH], and[(≡SiN=)(≡SiX-)ZrH] (X = -NH-, -O-). A DFT study

    KAUST Repository

    Pasha, Farhan Ahmad; Bendjeriou-Sedjerari, Anissa; Huang, Kuo-Wei; Basset, Jean-Marie

    2014-01-01

    : [(≡SiNH-)(≡SiO-)ZrH2] (A), [(≡SiNH-)2ZrH2] (B), [(≡SiNH-)(≡SiO-) 2ZrH] (C), [(≡SiNH-)2(≡SiO-)ZrH] (D), [(≡SiN=)(≡Si-O-)ZrH] (E), and [(≡SiN=)(≡SiNH-)ZrH] (F). The roles of these hydrides have been investigated in C-H/C-C bond activation and cleavage

  20. Kinetic analysis of volatile formation in milk subjected to pressure-assisted thermal treatments.

    Science.gov (United States)

    Vazquez-Landaverde, P A; Qian, M C; Torres, J A

    2007-09-01

    Volatile formation in milk subjected to pressure-assisted thermal processing (PATP) was investigated from a reaction kinetic analysis point of view to illustrate the advantages of this technology. The concentration of 27 volatiles of different chemical class in milk subjected to pressure, temperature, and time treatments was fitted to zero-, 1st-, and 2nd-order chemical reaction models. Temperature and pressure effects on rate constants were analyzed to obtain activation energy (E(a)) and activation volume (deltaV*) values. Hexanal, heptanal, octanal, nonanal, and decanal followed 1st-order kinetics with rate constants characterized by E(a) values decreasing with pressure reflecting negative deltaV* values. Formation of 2-methylpropanal, 2,3-butanedione, and hydrogen sulfide followed zero-order kinetics with rate constants increasing with temperature but with unclear pressure effects. E(a) values for 2-methylpropanal and 2,3-butanedione increased with pressure, that is, deltaV* > 0, whereas values for hydrogen sulfide remained constant, that is, deltaV* = 0. The concentration of all other volatiles, including methanethiol, remained unchanged in pressure-treated samples, suggesting large negative deltaV* values. The concentration of methyl ketones, including 2-pentanone, 2-hexanone, 2-heptanone, 2-octanone, 2-nonanone, 2-decanone, and 2-undecanone, was independent of pressure and pressure-holding time. PATP promoted the formation of few compounds, had no effect on some, and inhibited the formation of volatiles reported to be factors of the consumer rejection of "cooked" milk flavor. The kinetic behavior observed suggested that new reaction formation mechanisms were not likely involved in volatile formation in PATP milk. The application of the Le Chatelier principle frequently used to explain the high quality of pressure-treated foods, often with no supporting experimental evidence, was not necessary.

  1. Macrochain configuration, stucture of free volume and transport properties of poly(1-trimethylsilyl-1-propyne) and poly(1-trimethylgermyl-1-propyne)

    KAUST Repository

    Matson, Samira M.

    2012-08-01

    The relationship between poly(1-trimethylsilyl-1-propyne) (PTMSP) and poly(1-trimethylger- myl-1-propyne) (PTMGP) microstructure, gas permeability and structure of free volume is reported. n-Butane/methane mixed-gas permeation properties of PTMSP and PTMGP membranes with different cis-/trans-composition have been investigated. The n-butane/methane selectivities for mixed gas are by an order higher than the selectivities calculated from pure gas measurements (the mixed-gas n-butane/methane selectivities are 20-40 for PTMSP and 22-35 for PTMGP). Gas permeability and n-butane/methane selec- tivity essentially differ in polymers with different cis-/trans-composition. Positron annihilation lifetime spec- troscopy investigation of PTMSP and PTMGP with different microstructure has determined distinctions in total amount and structure of free volume, i.e. distribution of free volume elements. The correlation between total amount of free volume and gas transport parameters is established: PTMSP and PTMGP with bigger free volume exhibit higher n-butane permeability and mixed-gas n-butane/methane selectivity. Such behav- ior is discussed in relation to the submolecular structure of polymers with different microstructure and sorp- tion of n-butane in polymers with different free volume. © Pleiades Publishing, Ltd., 2012.

  2. Growth of n-alkane films on a single-crystal substrate

    DEFF Research Database (Denmark)

    Wu, Z. U.; Ehrlich, S. N.; Matthies, B.

    2001-01-01

    The structure and growth mode of alkane films (n-C/sub n/H/sub 2n+2/; n=4, 6, 7) adsorbed on a Ag(111) surface have been investigated by synchrotron X-ray scattering. New models are proposed for the butane (n=4) and hexane (n=6) monolayer and butane bilayer structures. Specular reflectivity scans...... reveal that growth of all films is preempted between two and three layers by nucleation of bulk particles oriented with a single bulk crystal plane parallel to the film. In the case of butane, the bulk particles also have a fixed azimuthal relationship with the film resulting in complete epitaxy....

  3. Potassium effects on kinetics of propane oxydehydrogenation on vanadia-titania catalyst

    International Nuclear Information System (INIS)

    Grabowski, R.; Samson, K.

    2003-01-01

    Oxidative dehydrogenation of propane (ODH) over V 2 O 5 /TiO 2 and V 2 O 5 /TiO 2 doped with K was carried out by measuring conversions and selectiveness for various feed compositions, contact times and temperatures. The results obtained for both catalysts were interpreted on the basis of the mechanism, in which propene is formed through Eley-Rideal sequence of steps, i.e. without participation of the adsorbed propane species. Kinetic constants (activation energies, pre-exponential factors) for the model of ODH reaction of propane on these catalysts, obtained on the basis of steady-state results, are given. Addition of K to vanadia-titania catalysts leads to decrease of total combustion of propane and consecutive combustion of propene. It has been found that the direct propane total oxidation is 5 - 9 times lower than that of the consecutive propene oxidation and is almost temperature independent for potassium doped catalyst, whereas it quickly decreases with temperature for a non-doped catalyst. Secondly, the addition of K to a vanadia-titania catalyst decreases the activation energies for propene formation (k 1 ), parallel formation of CO x (k 3 ) and reoxidation of the catalyst (k os ). Potassium exhibits a stronger inhibitory effect on the secondary propene combustion, what reflects the lower activity of V 5+ cations modified by the strongly basic alkali oxide species. (author)

  4. Proof-of-Principle Polymer Engine-Generator

    National Research Council Canada - National Science Library

    Pelrine, Ronald

    2002-01-01

    ... in excess of 1000 C, more than sufficient to produce high potential efficiencies. Over 10000 cycles (the project target) were successfully demonstrated using propane and butane fuels, and much longer lifetimes are undoubtedly feasible...

  5. Molecular Analysis of Bacterial Community Dynamics During Bioaugmentation Studies in a Soil Column and at a Field Test Site

    National Research Council Canada - National Science Library

    Li, Jun

    2004-01-01

    ...). A butane-utilizing microorganism, strain 183BP, with the ability to cometabolically transform 1,1,1-TCA, 1,1-DCA, and 1,1-DCE was isolated from environmental samples taken from a CAH contaminated site...

  6. African Journal of Drug & Alcohol Studies, 15(1), 2016 Copyright ...

    African Journals Online (AJOL)

    in prison but practice high-risk behaviour such as injecting and ... dividual behavior. Nigerian .... consequences on their physical, psycho- logical ... Solvents and inhalants (Gas, Paint thinner, aerosol, plastic cement, butane, petrol etc). 43. 1.4 ...

  7. Rate Constants for the Reactions of Hydroxyl Radical with Several Alkanes, Cycloalkanes, and Dimethyl Ether

    Science.gov (United States)

    DeMore, W.; Bayes, K.

    1998-01-01

    Relative rate experiements were used to measure rate constants and temperature denpendencies of the reactions of OH with propane, n-butane, n-pentane, n-hexane, cyclopropane, cyclobutane, cyclopentane, and dimethyl ether.

  8. Macrochain configuration, stucture of free volume and transport properties of poly(1-trimethylsilyl-1-propyne) and poly(1-trimethylgermyl-1-propyne)

    KAUST Repository

    Matson, Samira M.; Rä tzke, Klaus; Shaikh, Muhammad Qasim; Litvinova, Elena G.; Shishatskiy, Sergey M.; Peinemann, Klaus-Viktor; Khotimskiy, Valeriy S.

    2012-01-01

    The relationship between poly(1-trimethylsilyl-1-propyne) (PTMSP) and poly(1-trimethylger- myl-1-propyne) (PTMGP) microstructure, gas permeability and structure of free volume is reported. n-Butane/methane mixed-gas permeation properties of PTMSP

  9. Parent's Guide to Preventing Inhalant Abuse

    Science.gov (United States)

    ... Register Notices Advisory Opinions Regulations, Mandatory Standards and Bans Report an Unsafe Product Consumers Businesses Home Safety ... A butane cigarette lighter fuel container and a plastic bag were found next to him. He also ...

  10. Application of lipid peroxidation and protein oxidation biomarkers for oxidative damage in mammalian cells. A comparison with two fluorescent probes

    NARCIS (Netherlands)

    Orhan, H.; Gurer-Orhan, H.; Vriese, E.; Vermeulen, N.P.E.; Meerman, J.H.N.

    2006-01-01

    We recently developed two biomarker sets for oxidative damage: one for determination of lipid peroxidation (LPO) degradation products; acetaldehyde, propanal, butanal, pentanal, hexanal, heptanal, octanal, nonanal, malondialdehyde and acetone, by a gas chromatography-electron capture detection

  11. Distribution of electric potential in hydrocarbon flames

    Energy Technology Data Exchange (ETDEWEB)

    Fialkov, B.S.; Shcherbakov, N.D.; Plitsyn, V.T.

    1978-01-01

    A study was made of the distribution of electrical potential and temperatures in laminar methane and propane--butane flames when the excess air coefficient in the mixture is changed from 0 to 1.2. 7 references, 3 figures.

  12. Substance use -- inhalants

    Science.gov (United States)

    ... hair spray, vegetable oil spray, and spray paint. Gases, such as butane (lighter fluid), computer cleaning spray, ... 2018, A.D.A.M., Inc. Duplication for commercial use must be authorized in writing by ADAM ...

  13. Two simple amine hydrochlorides from the soft coral Lobophytum strictum

    Digital Repository Service at National Institute of Oceanography (India)

    Parameswaran, P.S.; Naik; Das, B.; Kamat, S.Y.

    Two simple amine hydrochlorides, viz., 1-amino-1, 1-dimethyl-3-oxo-butane hydrochloride (1) (Diacetonamine) and 2, 2, 6, 6-tetramethylpiperidone hydrochloride (2) have been isolated from the fraction of the methanolic extract of the soft coral...

  14. On the controlling mechanism of the upper turnover states in the NTC regime

    KAUST Repository

    Ji, Weiqi; Zhao, Peng; He, Tanjin; He, Xin; Farooq, Aamir; Law, Chung K.

    2015-01-01

    Using n-butane, n-heptane and iso-octane as representative fuels exhibiting NTC (negative temperature coefficient) behavior, comprehensive computational studies with detailed mechanisms and theoretical analysis were performed to investigate

  15. An Assay Study of Molecular Recognition of Amino Acids in Water: Covalent Imprinting of Cysteine

    DEFF Research Database (Denmark)

    Burri, Harsha Vardhan Reddy; Yu, Donghong

    2015-01-01

    A novel synthetic N-(9-fluorenyl methoxy carbonyl)-L-Cysteine (Fmoc-Cys(SH)-OH) receptor was pre- pared by co-polymerizing (9-fluorenyl methoxy carbonyl)-S-(1-propene-2-thiol)-L-Cysteine (Fmoc-Cys(SCH2CHCH2)-OH) and a non-imprinted polymer prepared from 1-propene-1-thiol photo-chemically 15 h...... at room temperature and additional 3 h thermally at 80℃. Subsequently, disulfides were reduced with lithium aluminum hydride (LiAlH4) from imprinted polymers. The imprinted polymers selectively recognized Fmoc-Cys(SH)-OH with high binding constants in aqueous and protic solvents by thiol...

  16. Isoprenylated Flavonoids with PTP1B Inhibition from Macaranga denticulata

    OpenAIRE

    Zhang, Lai-Bin; Lei, Chun; Gao, Li-Xin; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun

    2016-01-01

    Abstract Three new C-methylated and isoprenylated chalcone derivatives, dentichalcones A?C (1?3), together with six known compounds (4?9), were isolated from the twigs and leaves of Macaranga denticulata. Their structures were elucidated by spectroscopic analysis, including 1D, 2D NMR, and MS data. The known compounds, (2E)-1-(5,7-dihydroxy-2,2,6-trimethyl-2H-benzopyran-8-yl)-3-(4-methoxyphenyl)-2-propen-1-one (4), (2E)-1-(5,7-dihydroxy-2,2-dimethyl-2H-benzopyran-8-yl)-3-phenyl-2-propen-1-one...

  17. Electrochemical removal of NOx and hydrocarbons

    DEFF Research Database (Denmark)

    Friedberg, Anja Zarah

    on the electrodes during polarisation, probably because of strong adsorption of the hydrocarbon relative to NO. On LSF/CGO electrode the impregnation of ionic conducting material increased the oxidation of NO to NO2 which is an important step before nitrogen formation. The propene inhibited this reaction because....... This could only be done if the electrode was impregnated with BaO. The nitrate formation did not seem to be inhibited by the presence of the hydrocarbon. However, the oxidation of propene was inhibited by the BaO because the active sites for oxidations were partially covered by the BaO nanoparticles...

  18. Hydrogen cyanide formation in selective catalytic reduction of nitrogen oxides over Cu/ZSM-5

    Energy Technology Data Exchange (ETDEWEB)

    Radtke, F; Koeppel, R; Baiker, A [Department of Chemical Engineering and Industrial Chemistry, Swiss Federal Institute of Technology, Zurich, (Switzerland)

    1994-01-06

    Hydrogen cyanide is formed over Cu/ZSM-5 during the selective catalytic reduction of NO[sub x] by either propylene or ethylene in the temperature range 450-600 K. Under the reaction conditions used (reactant feed: 973 ppm NO, 907 ppm propene or 1448 ppm ethylene, 2% oxygen, W/F=0.1 g s cm[sup -3]), the concentration of hydrogen cyanide reaches 20, respectively, 30 ppm, depending on whether ethylene or propene are used as hydrocarbons. In addition, significant N[sub 2]O formation is observed at temperatures lower than 700 K, independent of the hydrocarbon used

  19. Reaction of ether and thioether functionalised 1-alkenes with the cationic permethylzirconocene olefin polymerisation catalyst [(eta(5)-C5Me5)(2)ZrMe](+). Molecular structure of the insertion product [(eta(5)-C5Me5)(2)ZrCH2CH(Me)CH2OEt](+)

    NARCIS (Netherlands)

    Bijpost, Erik A; Zuideveld, Martin A.; Meetsma, Auke; Teuben, Jan H

    1998-01-01

    Reaction of [(η5-C5Me5)2ZrMe][MeB(C6F5)3] (1) with (thio)ether functionalised alkenes: 3-ethoxy-1-propene and 3-(methylthio)-1-propene gives stable insertion products [(η5-C5Me5)2ZrCH2CH(Me)CH2XR][MeB(C6F5)3] (2: X = O, R = Et; 3: X = S, R = Me) in which the (thio)ether function is intramolecularly

  20. Antiprotozoal compounds from Asparagus africanus

    DEFF Research Database (Denmark)

    Oketch-Rabah, H A; Dossaji, S F; Christensen, S B

    1997-01-01

    Two antiprotozoal compounds have been isolated from the roots of Asparagus africanus Lam. (Liliaceae), a new sapogenin, 2 beta, 12 alpha-dihydroxy-(25R)-spirosta-4,7-dien-3-one (1), which was named muzanzagenin, and the lignan (+)-nyasol (2), (Z)-(+)-4,4'-(3-ethenyl-1-propene-1,3-diyl)-bisphenol.......Two antiprotozoal compounds have been isolated from the roots of Asparagus africanus Lam. (Liliaceae), a new sapogenin, 2 beta, 12 alpha-dihydroxy-(25R)-spirosta-4,7-dien-3-one (1), which was named muzanzagenin, and the lignan (+)-nyasol (2), (Z)-(+)-4,4'-(3-ethenyl-1-propene-1,3-diyl...

  1. Natural gas conversion new route using halogen derivatives; Nova rota de conversao de gas natural utilizando derivados halogenados

    Energy Technology Data Exchange (ETDEWEB)

    Noronha, Leandro A.; Mota, Claudio J.A. [Universidade Federal, Rio de Janeiro, RJ (Brazil). Centro de Tecnologia]. E-mail: noronha@iq.ufrj.br; Sousa Aguiar, E. Falabella [PETROBRAS S.A., Rio de Janeiro, RJ (Brazil). Centro de Pesquisas

    2003-07-01

    Natural gas will have important position in the next decades. Nowadays, there is high demand for petrochemicals products, such as ethene and propene. With the nafta price variation, the development of alternative routes from natural gas will be stimulate, as occur in Rio de Janeiro. Between the main technologies for the natural gas use, arise the gas to liquids (GTL) routes for the conversion to hydrocarbons. Therefore, will be studied the transformation of methyl chloride to light olefins (ethene and propene) and other hydrocarbons in zeolitic catalysts. All of these reactions will be simulate occurring in the zeolitic surface, using a cluster that represents very much the catalyst structure. (author)

  2. Isentropic expansion and related thermodynamic properties of non-ionic amphiphile-water mixtures.

    Science.gov (United States)

    Reis, João Carlos R; Douhéret, Gérard; Davis, Michael I; Fjellanger, Inger Johanne; Høiland, Harald

    2008-01-28

    A concise thermodynamic formalism is developed for the molar isentropic thermal expansion, ES,m = ( partial differential Vm/ partial differential T)(Sm,x), and the ideal and excess quantities for the molar, apparent molar and partial molar isentropic expansions of binary liquid mixtures. Ultrasound speeds were determined by means of the pulse-echo-overlap method in aqueous mixtures of 2-methylpropan-2-ol at 298.15 K over the entire composition range. These data complement selected extensive literature data on density, isobaric heat capacity and ultrasound speed for 9 amphiphile (methanol, ethanol, propan-1-ol, propan-2-ol, 2-methylpropan-2-ol, ethane-1,2-diol, 2-methoxyethanol, 2-ethoxyethanol or 2-butoxyethanol)-water binary systems, which form the basis of tables listing molar and excess molar isobaric expansions and heat capacities, and molar and excess molar isentropic compressions and expansions at 298.15 K and at 65 fixed mole fractions spanning the entire composition range and fine-grained in the water-rich region. The dependence on composition of these 9 systems is graphically depicted for the excess molar isobaric and isentropic expansions and for the excess partial molar isobaric and isentropic expansions of the amphiphile. The analysis shows that isentropic thermal expansion properties give a much stronger response to amphiphile-water molecular interactions than do their isobaric counterparts. Depending on the pair property-system, the maximum excess molar isentropic value is generally twenty- to a hundred-fold greater than the corresponding maximum isobaric value, and occurs at a lower mole fraction of the amphiphile. Values at infinite dilution of the 9 amphiphiles in water are given for the excess partial molar isobaric heat capacity, isentropic compression, isobaric expansion and isentropic expansion. These values are interpreted in terms of the changes occurring when amphiphile molecules cluster into an oligomeric form. Present results are discussed

  3. Natural gas liquids markets in the United States

    International Nuclear Information System (INIS)

    Anderson, W.E.

    1991-01-01

    Changes in natural gas liquids (NGL) markets in the USA, brought about primarily by environmental issues and actions, are reviewed. Three aspects of the Clean Air Act amendments are exerting a powerful influence on NGL product demands. Regulatory limits on Reed vapor pressure (RVP) reduce the amount of evaporative hydrocarbon emissions, and lower-RVP gasoline is leaner in the more volatile hydrocarbons. This means primarily a lower n-butane content, and during the 1990-91 summer blending season it is estimated that half of total U.S. gas plant production of n-butane was being eliminated from the traditional refinery blending market. N-butane prices fell, making n-butane attractive as a petrochemical feedstock. Regulatory requirements for reformulated and oxygenated gasolines, for which methyl tertiary butyl ether (MTBE) will be the largest single source of oxygenate, have increased demand for NGL butanes used as the basic raw material in MBTE manufacture. This demand should increase enough to absorb all the n-butane dislodged from the gasoline blending market. The amendments also specify that in selected metropolitan areas having severe air quality problems, an alternative fuels program must be established. In the alternative fuels market, propane is already well-established due to favorable economics and proven performance, and significant new demand for propane in metropolitan markets is expected. Ethylene, the basic raw material for plastics manufacture, is mainly derived from NGLs and the continued strong demand for plastics will have a positive effect on the NGL market. NGL product demand profiles and projections are presented in graph form for ethane, propane, butanes, and pentanes plus. 4 figs

  4. Fluid catalytic cracking : Feedstocks and reaction mechanism

    NARCIS (Netherlands)

    Dupain, X.

    2006-01-01

    The Fluid Catalytic Cracking (FCC) process is one of the key units in a modern refinery. Traditionally, its design is primarily aimed for the production of gasoline from heavy oil fractions, but as co-products also diesel blends and valuable gasses (e.g. propene and butenes) are formed in

  5. Chemical structures and theoretical models of lean premixed ...

    African Journals Online (AJOL)

    To better understand the chemistry involved in the lean-fuel combustion, the chemical structure of lean premixed propene-oxygen-nitrogen flames stabilized on a flat-flame burner at atmospheric pressure was determined experimentally. The species mole fraction profiles were also computed by the Premix code and three ...

  6. Supported ionic liquid-phase (SILP) catalysis

    DEFF Research Database (Denmark)

    Riisager, Anders; Fehrmann, Rasmus; Wasserscheid, P.

    2005-01-01

    The concept of supported ionic liquid-phase (SILP) catalysis has been demonstrated for gas- and liquid-phase continuous fixed-bed reactions using rhodium phosphine catalyzed hydroformylation of propene and 1-octene as examples. The nature of the support had important influence on both the catalytic...

  7. Structure-activity relations for Ni-containing zeolites during NO reduction. II. Role of the chemical state of Ni

    NARCIS (Netherlands)

    Mosqueda Jimenez, B.I.; Jentys, A.; Seshan, Kulathuiyer; Lercher, J.A.

    2003-01-01

    The influence of the metal in Ni-containing zeolites used as catalysts for the reduction of NO with propane and propene was studied. In the fresh catalysts, Ni is located in ion exchange positions for Ni/MOR, Ni/ZSM-5, and Ni/MCM-22. The formation of carbonaceous deposits, the removal of Al from

  8. A comparative study on the sooting tendencies of various 1-alkene fuels in counterflow diffusion flames

    KAUST Repository

    Wang, Yu; Park, Sungwoo; Sarathy, Mani; Chung, Suk-Ho

    2018-01-01

    -alkenes through experiments and numerical simulations for counterflow diffusion flames. Soot and PAH formation tendencies of 1-alkene fuels, including ethylene (C2H4), propene (C3H6), 1-butene (1-C4H8), 1-pentene (1-C5H10), 1-hexene (1-C6H12) and 1-octene

  9. Oxidation of propane with oxygen, nitrous oxide and oxygen/nitrous oxide mixture over Co- and Fe-zeolites

    Czech Academy of Sciences Publication Activity Database

    Novoveská, K.; Bulánek, R.; Wichterlová, Blanka

    2005-01-01

    Roč. 100, 3-4 (2005), s. 315-319 ISSN 0920-5861 R&D Projects: GA ČR(CZ) GA104/03/1120 Institutional research plan: CEZ:AV0Z40400503 Keywords : propene * propane oxidation * nitrous oxide * Fe-ZSM-5 Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.365, year: 2005

  10. Influence of crystallite size and shape of zeolite ZSM-22 on its activity and selectivity in the catalytic cracking of n-octane

    Energy Technology Data Exchange (ETDEWEB)

    Bager, F.; Ernst, S. [Kaiserslautern Univ. (Germany). Dept. of Chemistry, Chemical Technology

    2013-11-01

    Light olefins belong to the major building blocks for the petrochemical industry, particularly for the production of polymers. It has become necessary to increase the production of light olefins specifically in the case for propene with so called 'on-purpose propene' technologies. One possible route is to increase the amount of propene that can be obtained from Fluid Catalytic Cracking (FCC) by optimizing the catalyst through introducing new additives, which offer a high selectivity to propene. Zeolite ZSM-22 samples with different crystallite sizes and morphologies have been synthesized via hydrothermal syntheses and characterized by powder X-Ray diffraction, nitrogen physisorption, atomic absorption spectroscopy, scanning electron microscopy and solid-state NMR spectroscopy. The zeolites in the Broensted-acid form have been tested as catalysts in the catalytic cracking of n-octane as a model hydrocarbon. Clear influences of the crystallite size on the deactivation behavior have been observed. Larger crystals of zeolite ZSM-22 produce an increased amount of coke deposits resulting in a faster deactivation of the catalyst. The experimental results suggest that there is probably some influence of pore diffusion on the catalytic activity of the ZSM-22 sample with the large crystallite size. However a noticeable influence on the general product distribution could not be observed. (orig.)

  11. Continuous fixed-bed gas-phase hydroformylation using supported ionic liquid-phase (SILP) Rh catalysts

    DEFF Research Database (Denmark)

    Riisager, Anders; Wasserscheid, Peter; Van Hal, R.

    2003-01-01

    Continuous flow gas-phase hydroformylation of propene was performed using novel supported ionic liquid-phase (SILP) catalysts containing immobilized Rh complexes of the biphosphine ligand sulfoxantphos in the ionic liquids 1-n-butyl-3-methylimidazolium hexafluorophosphate and halogen-free 1-n-butyl...

  12. The Green Route from Carbon Monoxide Fixation to Functional Polyamines : A Class of High-Performing Metal Ion Scavengers

    NARCIS (Netherlands)

    Toncelli, C.; Haijer, A.; Alberts, F.; Broekhuis, A. A.; Picchioni, F.

    2015-01-01

    The exploitation of the Paal-Knorr reaction as a postmodification tool of ethene/propene/CO polyketone terpolymers to produce thermoset beads for metal ion uptake is hereby presented. Its prominent green character (i.e., no catalyst or a solvent employed, biocompatible polymer precursor) renders

  13. The strange case of the "oscillating" catalysts

    NARCIS (Netherlands)

    Busico, [No Value; Cipullo, R; Kretschmer, W; Talarico, G; Vacatello, M; Castelli, VV

    The field of stereoselective propene polymerization has been dramatically innovated by the discovery of homogeneous metallocene-based catalysts with well-defined and tunable molecular structure. Of all, "oscillating" metallocenes are probably the most ingenious and challenging example of catalyst

  14. Development of the first well-defined tungsten oxo alkyl derivatives supported on silica by SOMC: towards a model of WO3/SiO2 olefin metathesis catalyst

    KAUST Repository

    Mazoyer, Etienne; Merle, Nicolas; Mallmann, Aimery De; Basset, Jean-Marie; Berrier, Elise; Delevoye, Laurent; Paul, Jean Franois; Nicholas, Christopher P.; Gauvin, Ré gis M.; Taoufik, Mostafa

    2010-01-01

    A well-defined, silica-supported tungsten oxo alkyl species prepared by the surface organometallic chemistry approach displays high and sustained activity in propene metathesis. Remarkably, its catalytic performances outpace those of the parent imido derivative, underlining the importance of the oxo ligand in the design of robust catalysts. © 2010 The Royal Society of Chemistry.

  15. Synthesis of novel acid electrolytes for phosphoric acid fuel cells

    Science.gov (United States)

    Adcock, James L.

    1988-11-01

    A 40 millimole per hour scale aerosol direct fluorination reactor was constructed. F-Methyl F-4-methoxybutanoate and F-4-methoxybutanoyl fluoride were synthesized by aerosol direct fluorination of methyl 4-methoxybutanoate. Basic hydrolysis of the perfluorinated derivatives produce sodium F-4 methoxybutanoate which was pyrolyzed to F-3-methoxy-1-propene. Purification and shipment of 33 grams of F-3-methoxy-1-propene followed. Syntheses by analogous methods allowed production and shipment of 5 grams of F-3-ethoxy 1-propene, 18 grams of F-3-(2-methoxy.ethoxy) 1-propene, and 37 grams of F-3,3-dimethyl 1-butene. Eighteen grams of F-2,2-dimethyl 1-chloropropane was produced directly and shipped. As suggested by other contractors, 5 grams of F-3-methoxy 1-iodopropane, and 5 grams of F-3-(2-methoxy.ethoxy) 1-iodopropane were produced by converting the respective precursor acid sodium salts produced for olefin synthesis to the silver salts and pyrolyzing them with iodine. Each of these compounds was prepared for the first time by the aerosol fluorination process during the course of the contract. These samples were provided to other Gas Research Institute (GRI) contractors for synthesis of perfluorinated sulfur (VI) and phosphorous (V) acids.

  16. An antileishmanial chalcone from Chinese licorice roots

    DEFF Research Database (Denmark)

    Christensen, S B; Ming, C; Andersen, L

    1994-01-01

    A bioassay guided fractionation of an extract of Chinese licorice roots led to the isolation of (E)-1-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-[4- hydroxy-3-(3-methyl-2-butenyl]phenyl-2-propen-1-one, which in vitro showed potent antileishmanial activity. In addition, the novel chalcone (E)-...

  17. Carbon Dioxide Induced Alkene Extrusion from Bis(pentamethylcyclopentadienyl)titanium(III) Alkyls

    NARCIS (Netherlands)

    Luinstra, Gerrit A.; Teuben, Jan H.

    1987-01-01

    Reaction of titanium(III) alkyls, (η5-C5Me5)2TiR (R = Et or Prn), in toluene solution with CO2 proceeds at room temperature with formation of the titanium formate (η5-C5Me5)2TiO2CH, and the corresponding alkene (ethene or propene).

  18. 40 CFR 116.4 - Designation of hazardous substances.

    Science.gov (United States)

    2010-07-01

    ... acetic acid, vinegar acid Acetic anhydride 108247 Acetic oxide, acetyl oxide Acetone cyanohydrin 75865 2... Allyl alcohol 107186 2-propen-1-ol, 1-propenol-3, vinyl carbinol Allyl chloride 107051 3-chloropropene..., mercaptomethane, methyl sulfhydrate, thiomethyl alcohol Methyl methacrylate 80626 Methacrylic acid methyl ester...

  19. Outlook for natural gas liquids sales in North America

    International Nuclear Information System (INIS)

    Anderson, A.B.

    1991-01-01

    The outlook for natural gas liquids (NGL) markets in North America is forecast, with a focus on NGL sourced from Canada. The supply of NGL from Canada is first discussed, showing that Canadian NGL production is typically a function of natural gas production. Over the period ending in the year 2001, Canadian propane and butanes production is expected to peak at ca 275,000 bbl/d and ethane at ca 175,000 bbl/d. The processing, transport, and storage infrastructure for NGL in Canada has been regarded as being matured. A historical overview of the NGL market has shown large swings in demand, linked to such factors as crude oil prices and the drop in butanes demand caused by changes in gasoline specifications in the USA. On the other hand, oxygenates required for reformulated gasolines need butanes as a raw material for their manufacture, signifying a new market for butanes when such gasolines are mandated in clean air programs. Prospects for propane are good in the transportation market because of its clean burning properties. Prospects for expanding ethylene production are favorable to NGL producers; major Canadian petrochemical producers are located close to the source of ethane and petrochemical demand for ethane is forecast to increase by 40,000 bbl/d due to a new plant coming on line and to larger exports to the USA. Results of some forecasts of Canadian propane, butane, and ethane supply and demand are included. 8 figs

  20. Use of Tetragenococcus halophilus as a starter culture for flavor improvement in fish sauce fermentation.

    Science.gov (United States)

    Udomsil, Natteewan; Rodtong, Sureelak; Choi, Yeung Joon; Hua, Yanglin; Yongsawatdigul, Jirawat

    2011-08-10

    The potential of Tetragenococcus halophilus as a starter culture for flavor improvement in fish sauce fermentation was elucidated. Four strains of T. halophilus isolated from fish sauce mashes were inoculated to anchovy mixed with 25% NaCl with an approximate cell count of 10(6) CFU/mL. The α-amino content of 6-month-old fish sauce samples inoculated with T. halophilus was 780-784 mM. The addition of T. halophilus MRC10-1-3 and T. halophilus MCD10-5-10 resulted in a reduction of histamine (P sauce inoculated with T. halophilus showed high contents of total amino acids with predominantly high glutamic acid. Major volatile compounds in fish sauce were 2-methylpropanal, 2-methylbutanal, 3-methylbutanal, and benzaldehyde. T. halophilus-inoculated fish sauce samples demonstrated the ability to reduce dimethyl disulfide, a compound contributing to a fecal note. The use of T. halophilus for fish sauce fermentation improves amino acid profiles and volatile compounds as well as reduces biogenic amine content of a fish sauce product.

  1. Volatile compound profile of sous-vide cooked lamb loins at different temperature-time combinations.

    Science.gov (United States)

    Roldán, Mar; Ruiz, Jorge; Del Pulgar, José Sánchez; Pérez-Palacios, Trinidad; Antequera, Teresa

    2015-02-01

    Lamb loins were subjected to sous-vide cooking at different combinations of temperature (60 and 80°C) and time (6 and 24h) to assess the effect on the volatile compound profile. Major chemical families in cooked samples were aliphatic hydrocarbons and aldehydes. The volatile compound profile in sous-vide cooked lamb loin was affected by the cooking temperature and time. Volatile compounds arising from lipid oxidation presented a high abundance in samples cooked at low or moderate cooking conditions (60°C for 6 and 24h, 80°C for 6h), while a more intense time and temperature combination (80°C for 24h) resulted on a higher concentration of volatile compounds arising from Strecker degradations of amino acids, as 2-methylpropanal and 3-methylbutanal. Therefore, sous-vide cooking at moderately high temperatures for long times would result in the formation of a stronger meaty flavor and roast notes in lamb meat. Copyright © 2014 Elsevier Ltd. All rights reserved.

  2. The human bitter taste receptor T2R38 is broadly tuned for bacterial compounds.

    Directory of Open Access Journals (Sweden)

    Christophe Verbeurgt

    Full Text Available T2R38 has been shown to be a specific bacterial detector implicated in innate immune defense mechanism of human upper airway. Several clinical studies have demonstrated that this receptor is associated with the development of chronic rhinosinusitis (CRS. T2R38 was previously reported to bind to homoserine lactones (HSL, quorum sensing molecules specific of Pseudomonas Aeruginosa and other gram negative species. Nevertheless, these bacteria are not the major pathogens found in CRS. Here we report on the identification of bacterial metabolites acting as new agonists of T2R38 based on a single cell calcium imaging study. Two quorum sensing molecules (Agr D1 thiolactone from Staphylococcus Aureus and CSP-1 from Streptococcus Pneumoniae and a list of 32 bacterial metabolites from pathogens frequently implicated in CRS were tested. First, we observed that HSL failed to activate T2R38 in our experimental system, but that the dimethylsulfoxide (DMSO, used as a solvent for these lactones may, by itself, account for the agonistic effect previously described. Secondly, we showed that both Agr D1 thiolactone and CSP-1 are inactive but that at least 7 bacterial metabolites (acetone, 2-butanone, 2-pentanone, 2-methylpropanal, dimethyl disulfide, methylmercaptan, γ-butyrolactone are able to specifically trigger this receptor. T2R38 is thus much more broadly tuned for bacterial compounds than previously thought.

  3. Hypolipidemic and antioxidant activity of mountain celery (Cryptotaenia japonica Hassk) seed essential oils.

    Science.gov (United States)

    Cheng, Ming-Ching; Lin, Li-Yun; Yu, Tung-Hsi; Peng, Robert Y

    2008-06-11

    Mountain celery seed essential oils (MC-E) contained 109 compounds, including mainly nine kinds of monoterpenoids, 31 kinds of of sesquiterpenoids, and 22 kinds of alcohols. A successive gel column adsorption with solvent fractionation yielded four fractionates. The pentane fractionate revealed potent hypolipidemic but poor antioxidant activities. The ether fractionate exhibited strong hypolipidemic activity in addition to excellent 1,1-diphenyl-2-picrylhydrazyl free radical- and superoxide anion-scavenging capabilities. The third acetone fractionate only showed moderate superoxide anion-scavenging activity. Finally, the fourth methanol fractionate having a rather high content of gamma-selinene, 2-methylpropanal, and Z-9-octadecenamide uniquely revealed very strong superoxide anion-scavenging capability. All MC diets except the MC-E-added diet simultaneously exhibited both significant hypolipidemic and high-density lipoprotein-cholesterol (HDL-C)-elevating capabilities. However, all diets totally failed to affect the hepatic phospholipid levels. Conclusively, the MC-E can be fractionated by such a separation technology to produce products uniquely possessing hypolipidemic and HDL-C-elevating activities.

  4. Monitoring of selected skin- and breath-borne volatile organic compounds emitted from the human body using gas chromatography ion mobility spectrometry (GC-IMS).

    Science.gov (United States)

    Mochalski, Paweł; Wiesenhofer, Helmut; Allers, Maria; Zimmermann, Stefan; Güntner, Andreas T; Pineau, Nicolay J; Lederer, Wolfgang; Agapiou, Agapios; Mayhew, Christopher A; Ruzsanyi, Veronika

    2018-02-15

    Human smuggling and associated cross-border crimes have evolved as a major challenge for the European Union in recent years. Of particular concern is the increasing trend of smuggling migrants hidden inside shipping containers or trucks. Therefore, there is a growing demand for portable security devices for the non-intrusive and rapid monitoring of containers to detect people hiding inside. In this context, chemical analysis of volatiles organic compounds (VOCs) emitted from the human body is proposed as a locating tool. In the present study, an in-house made ion mobility spectrometer coupled with gas chromatography (GC-IMS) was used to monitor the volatile moieties released from the human body under conditions that mimic entrapment. A total of 17 omnipresent volatile compounds were identified and quantified from 35 ion mobility peaks corresponding to human presence. These are 7 aldehydes (acrolein, 2-methylpropanal, 3-methylbutanal, 2-ethacrolein, n-hexanal, n-heptanal, benzaldehyde), 3 ketones (acetone, 2-pentanone, 4-methyl-2-pentanone), 5 esters (ethyl formate, ethyl propionate, vinyl butyrate, butyl acetate, ethyl isovalerate), one alcohol (2-methyl-1-propanol) and one organic acid (acetic acid). The limits of detection (0.05-7.2 ppb) and relative standard deviations (0.6-11%) should be sufficient for detecting these markers of human presence in field conditions. This study shows that GC-IMS can be used as a portable field detector of hidden or entrapped people. Copyright © 2018 Elsevier B.V. All rights reserved.

  5. Identification of the degradation pathways of alkanolamines with TiO2 photocatalysis

    International Nuclear Information System (INIS)

    Lu, Chung-Shin; Chen, Chiing-Chang; Mai, Fu-Der; Li, Hua-Kuang

    2009-01-01

    The present study deals with the photocatalytic degradation of the alkanolamine, 2-dimethylamino-2-methyl-1-propanol (DMAMP), in the presence of TiO 2 particles and UV-A (λ = 365 nm) radiation. The obtained results show complete oxidation of DMAMP after 20 h, and a little over 90% of DMAMP was mineralization after 64-h of treatment. The effects of the solution pH, catalyst loading, and anions on the photocatalytic degradation of DMAMP were investigated, as well as the reaction intermediates that were formed during treatment. To the best of our knowledge, this is the first time that reports the degradation pathways of DMAMP. A number of intermediates were identified by GC/MS techniques during the treatment of DMAMP, following three tentative degradation routes. The first one is based on the oxidation of the primary alcohol group leading to the formation of corresponding aldehyde and carboxylic acid. The second route is based on the rupture of the N-C bond to form 2-methylpropanal and acetone. The last degradation route is based on the cyclization of the β-amino alcohol group to form the oxazolidine derivatives.

  6. Quantitative analysis by GC-MS/MS of 18 aroma compounds related to oxidative off-flavor in wines.

    Science.gov (United States)

    Mayr, Christine M; Capone, Dimitra L; Pardon, Kevin H; Black, Cory A; Pomeroy, Damian; Francis, I Leigh

    2015-04-08

    A quantitation method for 18 aroma compounds reported to contribute to "oxidative" flavor in wines was developed. The method allows quantitation of the (E)-2-alkenals ((E)-2-hexenal, (E)-2-heptenal, (E)-2-octenal, and (E)-2-nonenal), various Strecker aldehydes (methional, 2-phenylacetaldehyde, 3-methylbutanal, and 2-methylpropanal), aldehydes (furfural, 5-methylfurfural, hexanal, and benzaldehyde), furans (sotolon, furaneol, and homofuraneol), as well as alcohols (methionol, eugenol, and maltol) in the same analysis. The aldehydes were determined after derivatization directly in the wine with O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine hydrochloride; the formed oximes along with the underivatized aroma compounds were isolated by solid-phase extraction and analyzed by means of GC-MS/MS. The method was used to investigate the effect of different closures (synthetic closures, natural corks, and screw cap) on the formation of oxidation-related compounds in 14 year old white wine. Results showed a significant increase in the concentration of some of the monitored compounds in the wine, particularly methional, 2-phenylacetaldehyde, and 3-methylbutanal.

  7. Crystal structure of dichlorido{2-methyl-2-[(pyridin-2-ylmethylamino]propan-1-ol-κ3N,N′,O}copper(II from synchrotron data

    Directory of Open Access Journals (Sweden)

    Jong Won Shin

    2016-10-01

    Full Text Available The title compound, [CuCl2(C10H16N2O], has been synthesized and characterized by synchrotron single-crystal X-ray diffraction and FT–IR spectroscopy. The 2-methyl-2-[(pyridin-2-ylmethylamino]propan-1-ol (mpmapOH ligand, including pyridine, amine and hydroxy groups, was synthesized by the reaction of 2-amino-2-methylpropan-1-ol with pyridine-2-carbaldehyde and was characterized by NMR spectroscopy. In its CuII complex, the metal ion has a distorted square-pyramidal coordination geometry with two N and one O atom of the mpmapOH ligand and one chloride anion in the equatorial plane, and the second chloride in an axial position. The bond lengths involving the CuII ion range from 1.9881 (10 to 2.0409 (9 for the Cu—N and Cu—O bonds, and from 2.2448 (5 to 2.5014 (6 Å for the equatorial and axial Cu—Cl bonds, respectively. Intermolecular hydrogen bonds (N—H...Cl and O—H...Cl and face-to-face π–π interactions stabilize the molecular structure and give rise to a two-dimensional supramolecular structure extending parallel to (101.

  8. Studies on volatile organic compounds of some truffles and false truffles.

    Science.gov (United States)

    D'Auria, Maurizio; Racioppi, Rocco; Rana, Gian Luigi; Laurita, Alessandro

    2014-01-01

    Results of solid phase micro-extraction coupled to gas chromatography and mass spectrometry analyses, accomplished on sporophores of 11 species of truffles and false truffles, are reported. Volatile organic compounds (VOCs) found in Gautieria morchelliformis were dimethyl sulphide, 1,3-octadiene, 3,7-dimethyl-1,6-octadien-3-ol, amorphadiene, isoledene and cis-muurola-3,5-diene. In Hymenogaster luteus var. luteus, presence of 1,3-octadiene, 1-octen-3-ol, 3-octanone, 3-octanol and 4-acetylanisole was revealed. Two VOCs, 4-acetylanisole and β-farnesene, constituted aroma of Hymenogaster olivaceus.Melanogaster broomeanus exhibited as components of its aroma 2-methyl-1,3-butadiene, 2-methylpropanal, 2-methylpropanol, isobutyl acetate, 3,7-dimethyl-1,6-octadien-3-ol, 3-octanone and β-curcumene. VOC profile of Octavianina asterosperma was characterised by the presence of dimethyl sulphide, ethyl 2-methylpropanoate, methyl 2-methylbutanoate and 3-octanone. Tuber rufum var. rufum and Pachyphloeus conglomeratus showed the presence of dimethyl sulphide only.

  9. Customization of copolymers to optimize selectivity and yield in polymer-driven antibody purification processes.

    Science.gov (United States)

    Capito, Florian; Skudas, Romas; Stanislawski, Bernd; Kolmar, Harald

    2013-01-01

    This manuscript describes customization of copolymers to be used for polymer-driven protein purification in bioprocessing. To understand how copolymer customization can be used for fine-tuning, precipitation behavior was analyzed for five target antibodies (mAbs) and BSA as model impurity protein, at ionic strength similar to undiluted cell culture fluid. In contrast to the use of standardized homopolymers, customized copolymers, composed of 2-acrylamido-2-methylpropane sulfonic acid (AMPS) and 4-(acryloylamino)benzoic acid (ABZ), exhibited antibody precipitation yields exceeding 90%. Additionally, copolymer average molecular weight (Mw ) was varied and its influence on precipitation yield and contaminant coprecipitation was investigated. Results revealed copolymer composition as the major driving force for precipitation selectivity, which was also dependent on protein hydrophobicity. By adjusting ABZ content and Mw of the precipitant for each of the mAbs, conditions were found that allowed for high precipitation yield and selectivity. These findings may open up new avenues for using polymers in antibody purification processes. © 2013 American Institute of Chemical Engineers.

  10. Immobilization of yeast cells with ionic hydrogel produced by radiation polymerization

    International Nuclear Information System (INIS)

    Lu Zhaoxin; Fujimura, T.

    1990-01-01

    The mixture of an ionic monomer of 2-acrylamido 2-methylpropane-sulfonic acid and a series of polyethylene glycol dimethacrylate monomer were polymerized at-78 deg C with 60 Co γ-rays and were used for immobilization of yeast cells. The immobilized yeast cells with these carriers had higher ethanol productivity than that without any carriers. The yield of ethanol with poly TBAS-14G carrier was the highest, and increased by 3.5 times compared with the free yeast cells. It was found that the ethanol yield increased with the increase of the glycol number in polyethylene glycol dimethacrylate. The state of the immobilized cells was observed with microscope and it was found that the difference in the ethanol productivity was mainly due to the difference in the internal structure and the properties of polymer carrier. It was considered that the polymer carrier had a proper hydrophilicity, swelling ability, cation in the surface and porousity in the internal structure for immobilizing yeast cells

  11. Characterization of volatile aroma compounds in different brewing barley cultivars.

    Science.gov (United States)

    Dong, Liang; Hou, Yingmin; Li, Feng; Piao, Yongzhe; Zhang, Xiao; Zhang, Xiaoyu; Li, Cheng; Zhao, Changxin

    2015-03-30

    Beer is a popular alcoholic malt beverage resulting from fermentation of the aqueous extract of malted barley with hops. The aroma of brewing barley impacts the flavor of beer indirectly, because some flavor compounds or their precursors in beer come from the barley. The objectives of this research were to study volatile profiles and to characterize odor-active compounds of brewing barley in order to determine the variability of the aroma composition among different brewing barley cultivars. Forty-one volatiles comprising aldehydes, ketones, alcohols, organic acids, aromatic compounds and furans were identified using solid phase microextraction combined with gas chromatography/mass spectrometry, among which aldehydes, alcohols and ketones were quantitatively in greatest abundance. Quantitative measurements performed by means of solvent extraction and calculation of odor activity values revealed that acetaldehyde, 2-methylpropanal, 3-methylbutanal, 2-methylbutanal, hexanal, heptanal, octanal, nonanal, 3-methyl-1-butanol, cyclopentanol, 2,3-butanedione, 2,3-pentanedione, 2-heptanone, acetic acid, ethyl acetate, 2-pentylfuran and benzeneacetaldehyde, whose concentrations exceeded their odor thresholds, could be considered as odor-active compounds of brewing barley. Principal component analysis was employed to evaluate the differences among cultivars. The results demonstrated that the volatile profile based on the concentrations of aroma compounds enabled good differentiation of most barley cultivars. © 2014 Society of Chemical Industry.

  12. Sulfonated macro-RAFT agents for the surfactant-free synthesis of cerium oxide-based hybrid latexes.

    Science.gov (United States)

    Garnier, Jérôme; Warnant, Jérôme; Lacroix-Desmazes, Patrick; Dufils, Pierre-Emmanuel; Vinas, Jérôme; van Herk, Alex

    2013-10-01

    Three types of amphiphatic macro-RAFT agents were employed as compatibilizers to promote the polymerization reaction at the surface of nanoceria for the synthesis of CeO2-based hybrid latexes. Macro-RAFT copolymers and terpolymers were first synthesized employing various combinations of butyl acrylate as a hydrophobic monomer and acrylic acid (AA) and/or 2-acrylamido-2-methylpropane sulfonic acid (AMPS) as hydrophilic monomers. After characterizing the adsorption of these macro-RAFT agents at the cerium oxide surface by UV-visible spectrometry, emulsion copolymerization reactions of styrene and methyl acrylate were then carried out in the presence of the surface-modified nanoceria. Dynamic Light Scattering and cryo-Transmission Electron Microscopy were employed to confirm the hybrid structure of the final CeO2/polymer latexes, and proved that the presence of acrylic acid units in amphiphatic macro-RAFT agents enabled an efficient formation of hybrid structures, while the presence of AMPS units, when combined with AA units, resulted in a better distribution of cerium oxide nanoclusters between latex particles. Copyright © 2013 Elsevier Inc. All rights reserved.

  13. Development of an in-house mixed-mode solid-phase extraction for the determination of 16 basic drugs in urine by High Performance Liquid Chromatography-Ion Trap Mass Spectrometry.

    Science.gov (United States)

    Musile, Giacomo; Cenci, Lucia; Piletska, Elena; Gottardo, Rossella; Bossi, Alessandra M; Bortolotti, Federica

    2018-07-27

    The aim of the present work was to develop a novel in-house mixed-mode SPE sorbent to be used for the HPLC-Ion TrapMS determination of 16 basic drugs in urine. By using a computational modelling, a virtual monomer library was screened identifying three suitable functional monomers, methacrylic acid (MAA), itaconic acid (IA) and 2-acrylamide-2-methylpropane sulfonic acid (AMPSA), respectively. Three different sorbents were then synthetized based on these monomers, and using as cross-linker trimethylolpropane trimethacrylate (TMPTMA). The sorbent characterization analyses brought to the selection of the AMPSA based phase. Using this novel in-house sorbent, a SPE-HPLC-Ion TrapMS method for drug analysis in urine was validated proving to be selective and accurate and showing a sensitivity adequate for toxicological urine analysis. The comparison of the in-house mixed-mode SPE sorbent with two analogous commercial mixed-mode SPE phases showed that the first one was better not only in terms of process efficiency, but also in terms of quality-price rate. To the best of our knowledge, this is the first time in which an in-house SPE procedure has been applied to the toxicological analysis of a complex matrix, such as urine. Copyright © 2018 Elsevier B.V. All rights reserved.

  14. Novel and conventional working fluid mixtures for solar Rankine cycles: Performance assessment and multi-criteria selection

    International Nuclear Information System (INIS)

    Mavrou, Paschalia; Papadopoulos, Athanasios I.; Stijepovic, Mirko Z.; Seferlis, Panos; Linke, Patrick; Voutetakis, Spyros

    2015-01-01

    This work investigates the performance of working fluid mixtures for use in solar ORC (Organic Rankine Cycle systems) with heat storage employing FPC (Flat Plate Collectors). Several mixtures are considered including conventional choices often utilized in ORC as well as novel mixtures previously designed using advanced computer aided molecular design methods (Papadopoulos et al., 2013). The impact of heat source variability on the ORC performance is assessed for different working fluid mixtures. Solar radiation is represented in detail through actual, hourly averaged data for an entire year. A multi-criteria mixture selection methodology unveils important trade-offs among several important system operating parameters and efficiently highlights optimum operating ranges. Such parameters include the ORC thermal efficiency, the net generated power, the volume ratio across the turbine, the mass flow rate of the ORC working fluid, the evaporator temperature glide, the temperature drop in the storage tank, the ORC total yearly operating duration, the required collector aperture area to generate 1 kW of power and the irreversibility. A mixture of neopentane – 2-fluoromethoxy-2-methylpropane at 70% neopentane is found to be the most efficient in all the considered criteria simultaneously. - Highlights: • Investigation of novel and conventional working fluid mixtures for solar ORCs. • Systematic, multi-criteria assessment methodology for mixture selection. • Simultaneous consideration of multiple important mixture performance criteria. • Effects of year-round solar variability in a solar ORC with heat storage tank

  15. Quenched polyelectrolytes with hydrophobicity independent from chemical charge fraction: A SANS and SAXS study

    Directory of Open Access Journals (Sweden)

    Souha Ben Mahmoud

    2017-11-01

    Full Text Available We investigate by SANS and SAXS the structure of semidilute aqueous hydrophobic quenched polyelectrolyte solutions, in which we can vary independently the hydrophobicity and the chemical/electrostatic charge fraction (above the Manning condensation threshold 36%. Such a de-correlation is the original point of the work, reached using statistical tri-copolymers poly(acrylamide-co-styrene-co-2-acrylamido-2-methylpropane-sodium sulfonate, poly(AMx-co-STy-co-AMPSz. The hydrophobicity is brought by ST, the chemical electrostatic charge by AMPS and solubility without charge by AM. We consider that although these copolymers have chemical structure different from partially sulfonated polystyrene sulfonate, PS-co-SSNa, made of two monomers, one charged, one hydrophobic, they have however vicinal behavior. The variation of chemical charge, has no strong consequence on the structure properties which is in agreement with the fact that it is always larger than the Manning threshold. The dependence of q∗ with AM content shows that AM reduces hydrophobicity. The similarity with PS-co-SSNa, for which pearl necklace-like conformations were directly measured by SANS (form factor using ZAC method, suggests that pearl necklace conformations are also adopted by these tri-copolymers and that this behavior could be so generalized to a much larger range of synthetic hydrophobic polyelectrolytes using simple copolymerization.

  16. Intermolecular Hydrogen Transfer in Isobutane Hydrate

    Directory of Open Access Journals (Sweden)

    Takeshi Sugahara

    2012-05-01

    Full Text Available Electron spin resonance (ESR spectra of butyl radicals induced with γ-ray irradiation in the simple isobutane (2-methylpropane hydrate (prepared with deuterated water were investigated. Isothermal annealing results of the γ-ray-irradiated isobutane hydrate reveal that the isobutyl radical in a large cage withdraws a hydrogen atom from the isobutane molecule through shared hexagonal-faces of adjacent large cages. During this “hydrogen picking” process, the isobutyl radical is apparently transformed into a tert-butyl radical, while the sum of isobutyl and tert-butyl radicals remains constant. The apparent transformation from isobutyl to tert-butyl radicals is an irreversible first-order reaction and the activation energy was estimated to be 35 ± 3 kJ/mol, which was in agreement with the activation energy (39 ± 5 kJ/mol of hydrogen picking in the γ-ray-irradiated propane hydrate with deuterated water.

  17. Alginate-polyvinyl alcohol based interpenetrating polymer network for prolonged drug therapy, Optimization and in-vitro characterization.

    Science.gov (United States)

    Anwar, Hina; Ahmad, Mahmood; Minhas, Muhammad Usman; Rehmani, Sahrish

    2017-06-15

    A new natural and synthetic polymeric blend to form interpenetrating polymer network (IPN) hydrogels was synthesized utilizing sodium alginate and PVA as polymers by free radical polymerization employing 2-Acylamido-2-methylpropane-sulfonic acid as monomer (AMPS) and tramadol HCl as model drug through 3 2 level full factorial design to evaluate the impact of selected independent factors i.e. polymer (sodium alginate) and monomer (AMPS) contents on swelling index at 18th hour, percent drug release at 18th hour, time required for 80% drug release and drug entrapment efficiency as dependent variables. FTIR, SEM, sol-gel analysis, equilibrium swelling studies and in-vitro release kinetics were performedfor in-vitro characterization of formulated IPN hydrogels. In-vitro studies carried out at pH 1.2 and pH 7.4 revealed pH independent swelling and drug release from polymeric IPN, providing controlled drug release for an extended period of time with improved entrapment efficiency, thereby concluding that this polymeric blend may be a promising system for the prolonged drug delivery. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Scale-up of the Reversible Addition-Fragmentation Chain Transfer (RAFT Polymerization Using Continuous Flow Processing

    Directory of Open Access Journals (Sweden)

    Nenad Micic

    2014-01-01

    Full Text Available A controlled radical polymerization process using the Reversible Addition-Fragmentation Chain Transfer (RAFT approach was scaled up by a factor of 100 from a small laboratory scale of 5 mL to a preparative scale of 500 mL, using batch and continuous flow processing. The batch polymerizations were carried out in a series of different glass vessels, using either magnetic or overhead stirring, and different modes of heating: Microwave irradiation or conductive heating in an oil bath. The continuous process was conducted in a prototype tubular flow reactor, consisting of 6 mm ID stainless steel tubing, fitted with static mixers. Both reactor types were tested for polymerizations of the acid functional monomers acrylic acid and 2-acrylamido-2-methylpropane-1-sulfonic acid in water at 80 °C with reaction times of 30 to 40 min. By monitoring the temperature during the exothermic polymerization process, it was observed that the type and size of reactor had a significant influence on the temperature profile of the reaction.

  19. Optimal Design for Reactivity Ratio Estimation: A Comparison of Techniques for AMPS/Acrylamide and AMPS/Acrylic Acid Copolymerizations

    Directory of Open Access Journals (Sweden)

    Alison J. Scott

    2015-11-01

    Full Text Available Water-soluble polymers of acrylamide (AAm and acrylic acid (AAc have significant potential in enhanced oil recovery, as well as in other specialty applications. To improve the shear strength of the polymer, a third comonomer, 2-acrylamido-2-methylpropane sulfonic acid (AMPS, can be added to the pre-polymerization mixture. Copolymerization kinetics of AAm/AAc are well studied, but little is known about the other comonomer pairs (AMPS/AAm and AMPS/AAc. Hence, reactivity ratios for AMPS/AAm and AMPS/AAc copolymerization must be established first. A key aspect in the estimation of reliable reactivity ratios is design of experiments, which minimizes the number of experiments and provides increased information content (resulting in more precise parameter estimates. However, design of experiments is hardly ever used during copolymerization parameter estimation schemes. In the current work, copolymerization experiments for both AMPS/AAm and AMPS/AAc are designed using two optimal techniques (Tidwell-Mortimer and the error-in-variables-model (EVM. From these optimally designed experiments, accurate reactivity ratio estimates are determined for AMPS/AAm (rAMPS = 0.18, rAAm = 0.85 and AMPS/AAc (rAMPS = 0.19, rAAc = 0.86.

  20. AMPS/AAm/AAc Terpolymerization: Experimental Verification of the EVM Framework for Ternary Reactivity Ratio Estimation

    Directory of Open Access Journals (Sweden)

    Alison J. Scott

    2017-02-01

    Full Text Available The complete error-in-variables-model (EVM framework, consisting of both design of experiments and parameter estimation stages, is applied to the terpolymerization of 2-acrylamido-2-methylpropane sulfonic acid (AMPS, M1, acrylamide (AAm, M2 and acrylic acid (AAc, M3. This water-soluble terpolymer has potential for applications in enhanced oil recovery, but the associated terpolymerization kinetic characteristics are largely unstudied. In the current paper, EVM is used to design optimal experiments (for the first time in the literature, and reactivity ratios are subsequently estimated based on both low and medium-high conversion data. The results from the medium-high conversion data are more precise than those from the low conversion data, and are therefore used next to predict the terpolymer composition trajectory over the full course of conversion. Good agreement is seen between experimental data and model predictions, which confirms the accuracy of the newly determined ternary reactivity ratios: r12 = 0.66, r21 = 0.82, r13 = 0.82, r31 = 0.61, r23 = 1.61, r32 = 0.25.

  1. Density and Compressibility of Multicomponent n-Alkane Mixtures up to 463 K and 140 MPa

    DEFF Research Database (Denmark)

    Regueira, Teresa; Glykioti, Maria-Lito; Stenby, Erling Halfdan

    2017-01-01

    Density measurements of two ternary alkane mixtures (methane/n-butane/n-decane and methane/n-butane/n-dodecane) and two multicomponent mixtures composed of methane/n-butane/n-octane/n-dodecane/n-hexadecane/n-eicosane were performed in the temperature range from (278.15 to 463.15) K and pressures ......–Redlich–Kwong (SRK), Peng–Robinson (PR), Perturbed Chain Statistical Associating Fluid Theory (PC-SAFT), and Soave-Benedict-Webb-Rubin (Soave-BWR) were used for predicting the experimental density values as well as the excess volumes....... to 140 MPa. The isothermal compressibility values of these mixtures were obtained by differentiation from a Tait-type fitting of experimental densities as a function of temperature and pressure. Excess volume of the studied mixtures was also determined. Four different equations of state, that is, Soave...

  2. Isolation and Biological Evaluation of Two Bioactive Metabolites from Aspergillus gorakhpurensis

    Directory of Open Access Journals (Sweden)

    Venkateswarlu Yenamandra

    2009-06-01

    Full Text Available Fungi are known to produce a vast array of secondary metabolites that are gaining importance for their biotechnological applications. Screening of Aspergillus gorakhpurensis for the production of bioactive secondary metabolites results in the production of 4-(N-methyl-N-phenyl amino butan-2-one and itaconic acid. The structure of the known compounds was established by 1H-, 13C-NMR and Mass spectral data. Biological evaluation of the two compounds against test microorganisms showed strong inhibitory activity of 4-(N-methyl-N-phenyl amino butan-2-one towards bacteria and fungi. Only 4-( N -methyl-N- phenyl amino-butan-2-one showed a marked significant activity (LD 50 = 330.69 m g/mL in Spodoptera litura larvicidal bioassay.

  3. From an equilibrium based MOF adsorbent to a kinetic selective carbon molecular sieve for paraffin/iso-paraffin separation

    KAUST Repository

    Li, Baiyan

    2016-11-04

    We unveil a unique kinetic driven separation material for selectively removing linear paraffins from iso-paraffins via a molecular sieving mechanism. Subsequent carbonization and thermal treatment of CD-MOF-2, the cyclodextrin metal-organic framework, afforded a carbon molecular sieve with a uniform and reduced pore size of ca. 5.0 Å, and it exhibited highly selective kinetic separation of n-butane and n-pentane from iso-butane and iso-pentane, respectively. © The Royal Society of Chemistry.

  4. Crystalline mesoporous zirconia catalysts having stable tetragonal pore wall structure

    Science.gov (United States)

    Sachtler, W.M.H.; Huang, Y.Y.

    1998-07-28

    Methods are disclosed for the preparation of new sulfated mesoporous zirconia materials/catalysts with crystalline pore walls of predominantly tetragonal crystal structure, characterized by nitrogen physical sorption measurement, X-ray diffraction, transmission electron microscopy and catalytic tests using n-butane isomerization to iso-butane and alkylation of 1-naphthol with 4-tert-butylstyrene as probe reactions. Sulfate deposition is preferred for the transformation of a mesoporous precursor with amorphous pore walls into a material with crystalline pore walls maintaining the mesoporous characteristics. 17 figs.

  5. Distribution of MEG and methanol in well-defined hydrocarbon and water systems: Experimental measurement and modeling using the CPA EoS

    DEFF Research Database (Denmark)

    Riaz, Muhammad; Yussuf, Mustafe A.; Kontogeorgis, Georgios

    2013-01-01

    + water. These data are satisfactorily correlated (binaries) and predicted (ternaries) using Cubic Plus Association (CPA) equation of state (EoS). CPA is also applied to binary LLE of aromatic hydrocarbon + water and VLE of methane + methanol. Finally the distribution of water and inhibitors (methanol...... and MEG) in various phases is modeled using CPA. The hydrocarbon phase consists of mixture-1 (methane, ethane, n-butane) or mixture-2 (methane, ethane, propane, n-butane, n-heptane, toluene and n-decane). CPA can satisfactorily predict the water content in the gas phase of the multicomponent systems...

  6. [The influence of drug liberation from drug forms on local therapy of infected bone cavities].

    Science.gov (United States)

    Süss, W; Wehr, M

    1984-09-01

    With regard to an optimum local pharmaco-therapy in infected bone cavities, in vitro examinations by means of a flow model based on the half-change method had been performed to liberate Gentamycin from globular embeddings in polymethylmethacrylate. The Gentamycin had been determined in a micro-biological manner. The release behaviour of the polymere carrier could be controlled by adding Polyethylenglycol 400 as softener or butane dioldimethacrylate as wettener. Adding 20 vol.-% of Polyethylenglycol 400, the Gentamycin release could be increased to the 8-fold, whereas the addition of 5 vol.-% of butane dioldimethacrylate resulted in a decrease amounting to 7/8 exit value.

  7. Two-phase flows during a discharge of liquefied gases, initially at saturation. Effect of the nature of the fluid; Ecoulements diphasiques lors de la vidange de gaz liquefies initialement a saturation. Influence de la nature du fluide

    Energy Technology Data Exchange (ETDEWEB)

    Alix, P.

    1997-10-03

    In the case of a confinement loss (breakage of a connection piece) on a pressurized liquefied gas tank, a critical two-phase (liquid-vapour) flow is generated. This thesis is aimed at the validation of models describing these flows with various fluids (water, R 11, methanol, ethyl acetate, pure butane, commercial butane), using a pilot experimental plant. Results show that reduced upstream pressure is the main parameter, thus indicating that a model can be validated using minimal fluids. The homogenous models DEM and HRM appear to be more precise

  8. Regioselective alkane hydroxylation with a mutant AlkB enzyme

    Science.gov (United States)

    Koch, Daniel J.; Arnold, Frances H.

    2012-11-13

    AlkB from Pseudomonas putida was engineered using in-vivo directed evolution to hydroxylate small chain alkanes. Mutant AlkB-BMO1 hydroxylates propane and butane at the terminal carbon at a rate greater than the wild-type to form 1-propanol and 1-butanol, respectively. Mutant AlkB-BMO2 similarly hydroxylates propane and butane at the terminal carbon at a rate greater than the wild-type to form 1-propanol and 1-butanol, respectively. These biocatalysts are highly active for small chain alkane substrates and their regioselectivity is retained in whole-cell biotransformations.

  9. Expanding Canadian natural gas production will strengthen growth of LP-gas industry

    International Nuclear Information System (INIS)

    Hawkins, D.J.

    1994-01-01

    In 1992, over 86% of Canadian propane and 70% of Canadian butane production originated in gas plants. Propane and butane production not recovered at gas plants is recovered in other processing facilities, primarily refineries and heavy oil upgraders. As a result, supplies of both products are largely tied to natural gas production, and the outlook for natural gas therefore provides the basis for any discussion on the outlook for gas processing and NGL industry infrastructure. The paper discusses gas processing, economies of scale, NGL supply, expected declines, industry structure and infrastructure, the two major centers of the Canadian NGL industry, new shippers, and required pipeline expansion

  10. The North American natural gas liquids markets are chaotic

    Energy Technology Data Exchange (ETDEWEB)

    Serletis, A.; Gogas, P. (Univ. of Calgary, Alberta (Canada). Dept. of Economics)

    1999-01-01

    In this paper the authors test for deterministic chaos (i.e., nonlinear deterministic processes which look random) in seven Mont Belview, Texas hydrocarbon markets, using monthly data from 1985:1 to 1996:12--the markets are those of ethane, propane, normal butane, iso-butane, naptha, crude oil, and natural gas. In doing so, they use the Lyapunov exponent estimator of Nychka, Ellner, Gallant, and McCaffrey. They conclude that there is evidence consistent with a chaotic nonlinear generation process in all five natural gas liquids markets.

  11. Untersuchungen zum atmosphärenchemischen Abbau langkettiger Aldehyde

    OpenAIRE

    Plagens, Heike

    2001-01-01

    In dieser Arbeit wurden die bimolekularen Geschwindigkeitskonstanten für die Reaktionen von Hexanal, Heptanal, Oktanal und Nonanal mit OH and Cl Radikalen bei (298 ± 2) K und (1000 ± 20) mbar experimentell bestimmt. Ebenso wurde die Chlorgeschwindigkeitskonstante für Butanal gemessen. Die Werte sind (in Einheiten von cm3 Molekül-1 s-1) in Tabelle 1 zusammengefaßt. Tabelle 1: Aldehyde kOH kCl Butanal - (2,21 ± 0,16) · 10-10 Hexan...

  12. Asia, North America lead way in growth of NGL, LPG trade

    International Nuclear Information System (INIS)

    Otto, K.; Gist, R.; Whitley, C.; Haun, R.

    1998-01-01

    Recent analyses of world NGL trade indicate that important changes in LPG supply and demand are under way in Asia and North America. LPG markets in the 1990s reflect a rapidly shifting balance between East-of-Suez and West-of-Suez markets. This shift has increased concern about availability of future LPG supplies for Asia. The paper discusses world developments, East versus West of Suez, end uses and supplies in Asia, Canadian ethane, propane, butane, and natural gasoline, Mexican ethane, LPG, and natural gasoline, US ethane, propane, butanes, and iso-C 4 and C 5

  13. LPGs in 2006

    International Nuclear Information System (INIS)

    Anon.

    2007-01-01

    During the 2006 year, the French committee of butane and propane (CFBP) went on with mobilizing and sustaining the LPG industry companies in their actions for improving and valorizing the energy efficiency of butane, propane, and LPG fuels. These efforts were carried out in a context of general decay of energy consumption in France and in particular for LPG. The publication of the 2006 activity report of CFBP is a good opportunity to make a status of the development of this industry. (J.S.)

  14. Influence of promoters and oxidants on propane dehydrogenation over chromium-oxide catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Lapidus, A.L.; Agafonov, Yu.A.; Shaporeva, N.Yu.; Trushin, D.V.; Gaidai, N.A.; Nekrasov, N.V. [Russian Academy of Sciences, Moscow (Russian Federation). N.D. Zelinsky Inst. of Organic Chemistry

    2010-12-30

    Possibilities for increasing the efficiency of supported on SiO{sub 2} chromium-oxide catalysts in propane oxidative dehydrogenation in CO{sub 2} presence are investigated: the introduction of Li, Na, K, Ca in catalysts and the addition of O{sub 2} in the reaction mixture. It was been found that the positive role of K - the increase of the selectivity to propene and stability of catalysts at long-duration tests - appeared at the relation of Cr:K=20. It was shown that the presence of little amount of O{sub 2} (2%) in the reaction mixtures of propane and carbon dioxide resulted in the increase of propene yield and catalyst stability. (orig.)

  15. A 121Sb Moessbauer Study of the Chemical State of Antimony in V-Sb-O Mixed-Oxide Catalysts for the Ammoxidation of Propane

    International Nuclear Information System (INIS)

    Stievano, L.; Wagner, F. E.; Zanthoff, H. W.; Calogero, S.

    2002-01-01

    The structural changes of two representative samples of a group of V-Sb-oxide catalysts, a vanadium-rich and an antimony-rich specimen, are investigated by 121 Sb Moessbauer spectroscopy after treatment under propene or hydrogen at 673 K. The as-prepared catalysts contain both Sb(V) and Sb(III) as crystalline and microcrystalline α-Sb 2 O 4 and VSbO 4 , as well as an additional amorphous V 5+ oxide phase. The oxidation state of antimony does not change upon exposure to propene, whereas a partial reduction can be obtained by a more intense reduction under hydrogen. The Moessbauer results indicate that the antimony in VSbO 4 can be reduced more easily than that in α-Sb 2 O 4 , which appears to be more stable. These results are discussed in view of the observed depletion of vanadium at the surface of the catalyst particles under reaction conditions.

  16. Structure of alumina supported vanadia catalysts for oxidative dehydrogenation of propane prepared by flame spray pyrolysis

    DEFF Research Database (Denmark)

    Høj, Martin; Jensen, Anker Degn; Grunwaldt, Jan-Dierk

    2013-01-01

    .%. The catalysts were subsequently characterized by BET surface area, X-ray diffraction (XRD), Raman, UV–vis diffuse reflectance and X-ray absorption spectroscopy (XAS) as well as measurement of the catalytic performance. The catalysts had specific surface areas from 143 to 169 m2/g corresponding to average......A series of five vanadia on alumina catalysts for oxidative dehydrogenation of propane to propene were synthesized by flame spray pyrolysis (FSP) using vanadium(III)acetylacetonate and aluminium(III)acetylacetonate dissolved in toluene as precursors. The vanadium loading was 2, 3, 5, 7.5 and 10wt...... X-ray absorption near edge structure (XANES) spectroscopy showed that the vanadia can be reduced when operating at low oxygen concentrations. The catalyst performance was determined in fixed bed reactors with an inlet gas composition of C3H8/O2/N2=5/25/70. The main products were propene, CO and CO2...

  17. Structure-activity relationships of heterogeneous catalysts from time-resolved X-ray absorption spectroscopy

    International Nuclear Information System (INIS)

    Ressler, T.; Jentoft, R.E.; Wienold, J.; Girgsdies, F.; Neisius, T.; Timpe, O.

    2003-01-01

    Knowing the composition and the evolution of the bulk structure of a heterogeneous catalyst under working conditions (in situ) is a pre-requisite for understanding structure-activity relationships. X-ray absorption spectroscopy can be employed to study a catalytically active material in situ. In addition to steady-state investigations, the technique permits experiments with a time-resolution in the sub-second range to elucidate the solid-state kinetics of the reactions involved. Combined with mass spectrometry, the evolution of the short-range order structure of a heterogeneous catalyst, the average valence of the constituent metals, and the phase composition can be obtained. Here we present results obtained from time-resolved studies on the reduction of MoO 3 in propene and in propene and oxygen

  18. Density induced crossover of electron mobilities in fluid C3 hydrocarbons; liquid phase behavior

    International Nuclear Information System (INIS)

    Gee, N.; Freeman, G.R.

    1980-01-01

    At n = 2 x 10 20 mol/cm 3 in the saturated vapors, the density normalized mobility (μn) of electrons equalled 2.4 x 10 23 mol/cmVs in cyclopropane, 1.5 x 10 23 in propane and 5.4 x 10 22 in propene. In cyclopropane and propene μn decreased due to quasilocalization at n > 4 x 10 20 mol/cm 3 . In propane quasilocalization occurred at n > 8 x 10 20 mol/cm 3 . The more extensive quasilocalization in cyclopropane caused mobilities to be lower than those in propane at the same density when the densities were greater than 1.3 x 10 21 mol/cm 3 . In propylene, μn remained below those in the other compounds at all gas densities. In the liquid phase the mobilities were affected more by the changes of temperature than by those of density. The mobilities at a given temperature decreased in the order propane > propene > cyclopropane. It is curious that the electron traps are deeper in cyclopropane than in propene. The energies of both thermal and optical excitation of solvated electrons may be expressed by equations of the form E 0 = E(0) - aT over considerable ranges of temperature T. The thermal value of a/E(0) is 1.7 x 10 -3 K -1 in many hydrocarbons, estimated from the mobilities. The equivalent ratio of the optical parameters also equals 1.7 x 10 -3 K -1 in ethers and in ammonia. (author)

  19. Biochemistry of metallocenes. Pt. 3

    International Nuclear Information System (INIS)

    Wenzel, M.; Klose, W.

    1977-01-01

    103 Ru labelled 1-Ruthenocenyl-3-phenyl-propen-1-one was administered to mice intropertioneally. The organ distribution was determined in liver, spleen, lung, muscle, blood, kidney and thymus. The highest concentration was found in the thymus-up to 22% of the injected dose/g with corresponding thymus to muscle ration of up to 364 : 1. The consequences for nuclear medicine are discussed. (orig.) [de

  20. Chemical Constituents of Piper betle Linn. (Piperaceae Roots

    Directory of Open Access Journals (Sweden)

    T. Bhattacharya

    2005-08-01

    Full Text Available Column chromatography of the alcoholic extract of Piper betle roots furnished aristololactam A-II and a new phenyl propene, characterized as 4-allyl resorcinol, while the petroleum-ether extract yielded a diketosteroid, viz. stigmast-4-en-3,6-dione. All these compounds were characterized by spectroscopic means. Isolation of these compounds from this source is being reported here for the first time.