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Sample records for 1-4-hydroxyiminomethylpyridinium-3-4-carbamoylpyridinium propane dibromide

  1. Volatilization of ethylene dibromide from water

    USGS Publications Warehouse

    Rathbun, R.E.; Tai, D.Y.

    1987-01-01

    Overall mass-transfer coefficients for the volatilization of ethylene dibromide from water were measured simultaneously with the oxygen absorption coefficient in a laboratory stirred tank. Coefficients were measured as a function of mixing conditions in the water for two windspeeds. The ethylene dibromide mass-transfer coefficient depended on windspeed; the ethylene dibromide liquid-film coefficient did not, in agreement with theory. A constant relation existed between the liquid-film coefficients for ethylene dibromide and oxygen.

  2. Propane poisoning

    MedlinePlus

    Propane is a colorless and odorless flammable gas that can turn into liquid under very cold temperatures. This article discusses the harmful effects from breathing in or swallowing propane. Breathing in or swallowing propane can be ...

  3. Propane Basics

    SciTech Connect

    NREL

    2010-03-01

    Propane powers about 190,000 vehicles in the U.S. and more than 14 million worldwide. Propane vehicles are a good choice for many fleet applications including school buses, shuttle buses, taxies and light-duty trucks.

  4. Propane Update.

    ERIC Educational Resources Information Center

    Brantner, Max

    1984-01-01

    Reports on a northern Illinois school bus fleet converted to propane fuel in 1981 and 1982. Includes tables showing, first, total annual fuel costs before and after conversion and, second, fuel efficiency for 16 buses using propane and three using gasoline. Notes precautions for propane use. (MCG)

  5. Propane fear

    SciTech Connect

    Begley, R.

    1992-02-12

    A minor feature of a Congressional energy bill is causing consternation for a number of propane-consuming chemical companies. The firms are fighting the bill`s inclusion of liquefied petroleum gas (LPG) on a list of alternative fuels that can be used to meet its urban fleet vehicles requirements. The firms fear that this added use would drive up the price of propane-an LPG-for homeowners, farmers, and themselves. Speaking for the Propane Consumers Coalition, a Dow Chemical spokesman says 7.7 million households use propane, as does agriculture, and current demand is such that December saw a 23-year low in US inventories. The US depends on imports of propane, he says, and about half the propane sold in the US is derived from the refining of oil, much of which is also imported. Adding demand for vehicle fuel would drive up imports and process, the spokesman says, thereby damaging all users, including the petrochemical industry.

  6. 76 FR 27317 - Ziram, Diquat Dibromide, and Chloropicrin; Order for Amendments To Terminate Uses

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-05-11

    ... of receipt for this action was published for comment on December 1, 2010 (75 FR 74714) (FRL-8854-3......... Sorghum and soybean. Herbicide. 2749-530 Diquat Dibromide 37.3% Diquat Dibromide...... Sorghum and soybean (seed SL AG. crop only). 2749-531 Diquat Manufacturing Diquat Dibromide...... Sorghum and soybean...

  7. Auto propane -- Some technical considerations

    SciTech Connect

    1998-12-31

    This booklet reviews some of the facts about propane as a vehicle fuel. It describes propane fuel properties, propane vehicle fuel systems and their components, propane vehicles and engines obtainable as original equipment from the vehicle manufacturer, after-market propane fuel system installations, propane vehicle operational characteristics, propane-fueled vehicle maintenance, government regulations and safety measures related to propane vehicles, and the environmental benefits of propane and propane-fueled vehicles. The final sections discuss the economics of propane vehicle ownership and the factors to be considered when estimating annual or lifetime savings or payback periods. Appendices include a directory of information sources, a sample worksheet for calculating payback, and examples of success stories relating the positive experiences of vehicle fleets with propane fueling.

  8. Propane Vehicle Demonstration Grant Program

    SciTech Connect

    Jack Mallinger

    2004-08-27

    Project Description: Propane Vehicle Demonstration Grants The Propane Vehicle Demonstration Grants was established to demonstrate the benefits of new propane equipment. The US Department of Energy, the Propane Education & Research Council (PERC) and the Propane Vehicle Council (PVC) partnered in this program. The project impacted ten different states, 179 vehicles, and 15 new propane fueling facilities. Based on estimates provided, this project generated a minimum of 1,441,000 new gallons of propane sold for the vehicle market annually. Additionally, two new off-road engines were brought to the market. Projects originally funded under this project were the City of Portland, Colorado, Kansas City, Impco Technologies, Jasper Engines, Maricopa County, New Jersey State, Port of Houston, Salt Lake City Newspaper, Suburban Propane, Mutual Liquid Propane and Ted Johnson.

  9. Semen study of papaya workers exposed to ethylene dibromide

    SciTech Connect

    Ratcliffe, J.M.; Schrader, S.M.; Steenland, K.; Clapp, D.; Turner, T.

    1984-01-01

    A cross sectional semen and cytogenetic study was performed on male workers exposed to ethylene-dibromide (EDB) in the papaya fumigation industry in Hawaii. Semen analyses were conducted on 46 men in six fumigation facilities with an average length of employment of 5 years and airborne exposures to EDB ranging from 16 to 213 parts per billion. Statistically significant decreases in sperm count per ejaculate and the percentage of viable and motile sperm and increases in the proportion of specific morphological abnormalities were observed among exposed men when compared with controls. Semen volume and sperm concentration were also lower in the exposed group. No effect of exposure to EDB on sperm velocity, the overall proportion of sperm with normal morphology or YFF bodies was noted. The authors conclude that based on the decreases in sperm count, viability and motility and increases in certain types of morphological abnormalities among workers exposed to EDB, EDB may increase the risk of reproductive impairment in workers at exposure levels near the NIOSH recommended limit of 45 parts per billion and far below the current OSHA standard of 20 parts per million.

  10. Dose-response studies with ethylene dibromide. [Hydra oligactis

    SciTech Connect

    Adams, J.A.

    1987-04-01

    This study represents the first of a series of Descriptive-Reproductive-Toxicology Studies currently underway in the authors laboratory. Ethylene Dibromide (EDB) is suspected of causing infertility (especially in males), carcinogenesis, mutagenesis, and possibly teratogenesis. Coupling the suspected undesirable effects of EDB exposure with the fact that the chemical has broad utility (soil fumigant, fruit and grain fumigant, gasoline additive, etc.), EDB is an important agricultural and industrial toxin. In this study Hydra oligactis are exposed to EDB in an attempt to determine the acute toxicity of the chemical. Since Hydra is organized at the tissue level only, the toxin can be applied as a component of an artificial pond water (APW) medium. The EDB stock solution is 19:1 Acetone (emulsifier): EDB. Direct dilutions are made and exposures are continuous. The medium is exchanged daily after feeding. The LC50 at 48 hours incubation with EDb is 70 mgL . Compared to the LC50's for two common commercial PCB mixtures, Aroclors 1254 and 1016, EDb is shown to be a highly toxic chemical. The respective LC50's for the PCB's are 20 mgL (Aroclor 1254) and 5 mgL (Aroclor 1016) at 72 hrs. Sublethal EDB toxicity is currently being studied.

  11. 75 FR 6658 - Malathion, Diquat Dibromide, Metam-potassium and Metam-sodium; Notice of Receipt of Requests to...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-02-10

    ... AGENCY Malathion, Diquat Dibromide, Metam-potassium and Metam-sodium; Notice of Receipt of Requests to... registrations containing the pesticides malathion, diquat dibromide, metam-potassium, and metam-sodium. The... would terminate metam-sodium and metam- potassium soil fumigant uses (agricultural application)...

  12. Effects of the bipyridylium herbicides diquat dibromide and paraquat dichloride on growth and development of Neobellieria bullata (Diptera: Sarcophagidae) larvae.

    PubMed

    Darvas, B; Zdárek, J; Timár, T; el-Din, M H

    1990-12-01

    Diet containing diquat dibromide (1,000 or 2,000 ppm) caused an extension of the first-instar stadium of Neobellieria bullata (Parker); the first molt was primarily disturbed. Pupariation was delayed when early-wandering larvae had been injected with diquat dibromide (18 micrograms/larva; approximately to 150 ppm). This effect of diquat dibromide was eliminated by simultaneous injection of 20-OH ecdysone (0.02 micrograms/larva). After larvae in the red spiracle stage were injected with diquat dibromide (5 micrograms/larva; approximately 42 ppm), evagination of the pupal head was inhibited. Paraquat dichloride was less active than diquat dibromide and appears to be a safer herbicide for use around decomposer fly species.

  13. Synthesis of an Advanced Intermediate of the Jatrophane Diterpene Pl-4: A Dibromide Coupling Approach

    PubMed Central

    2013-01-01

    The preparation of an advanced intermediate toward the synthesis of the jatrophane diterpene Pl-4 is described. The key step is a regioselective chelation-controlled lithiation of the (Z)-configured bromide in the corresponding vinyl dibromide precursor. The method outlined within this Article is suitable for the facile access of sterically hindered internal vinyl halides for further coupling reactions. PMID:23895274

  14. 75 FR 74714 - DCNA (dicloran), Ziram, Diquat Dibromide, and Chloropicrin; Notice of Receipt of Requests to...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-01

    ... dibromide use on soybean and sorghum, and chloropicrin use on mushroom casing, potting soil, and small area... delete certain uses which are identified in Table 1 of Unit III. Chloropicrin is a nonselective soil... (seed Concentrate. crop only). 5785-17 Chlor-O-Pic Chloropicrin Mushroom casing soil, potting soil,...

  15. Anaerobic Biodegradation of Ethylene Dibromide and 1,2-Dichloroethane in the Presence of Fuel Hydrocarbons

    EPA Science Inventory

    Field evidence from underground storage tank sites where leaded gasoline leaked indicates the lead scavengers 1,2- dibromoethane (ethylene dibromide, or EDB) and 1,2- dichloroethane (1,2-DCA) may be present in groundwater at levels that pose unacceptable risk. These compounds are...

  16. Environmental chemistry of ethylene dibromide in soil and ground water.

    PubMed

    Pignatello, J J; Cohen, S Z

    1990-01-01

    Ethylene dibromide is a ground water pollutant principally as a result of its use as a soil pesticide and secondarily from spills or leaks of leaded gasoline in which it is an additive. The compound has been found in over 1900 wells in 4 countries: Japan, Israel, Australia, and the United States (10 states), typically at concentrations of 0.04-4 micrograms/L. The overall rate of detections in suspected areas is about 13%. Its use as a soil fumigant was banned in the US in 1983 because of its carcinogenicity. Concern over gasoline as a source should diminish as leaded fuels all but disappear from the market in many countries. The voluminous research and regulatory attention devoted to EDB has generated a picture, if not an entirely clear one, of how EDB behaves in the environment and what we can expect for the future. EDB is volatile, moderately water soluble, and has only weak equilibrium sorptive affinity for soil. Transport to ground water occurs by both vapor-phase diffusion and by advection with infiltrating water, depending on soil properties and precipitation and irrigation patterns. Models describing these processes have been developed and validated in part by laboratory experiments, but the complexity and heterogeneity of the field makes predictions difficult there. As with other pesticides, experience indicates that areas with permeable soils and shallow water tables are most vulnerable. However, EDB seems to have penetrated many tens of meters of unsaturated zone in some cases to reach the water table. Transport in ground water occurs with bulk water flow, subject to hydrodynamic dispersion effects common to all solutes, and subject to sorptive retardation. From equilibrium sorption partition coefficients, plume migration is likely to be a factor of 2-4 slower than bulk water flow. Hydrolysis is the most important abiotic reaction. The reaction is independent of pH in the range 4-9 and is probably uncatalyzed by particle surfaces. Both SN1 and SN2

  17. Gas-film coefficients for the volatilization of ethylene dibromide from water

    USGS Publications Warehouse

    Rathbun, R.E.; Tal, D.Y.

    1986-01-01

    Gas-film coefficients for the volatilization of ethylene dibromide (EDB) and water were determined in the laboratory as a function of wind speed and temperature. The ratio of the coefficients was independent of wind speed and increased slightly with temperature. Use of this ratio with an environmentally determined gas-film coefficient for the evaporation of water permits determination of the gas-film coefficient for the volatilization of EDB from environmental waters.

  18. Propane-d6 Heterogeneously Hyperpolarized by Parahydrogen

    PubMed Central

    2015-01-01

    Long-lived spin states of hyperpolarized propane-d6 gas were demonstrated following pairwise addition of parahydrogen gas to propene-d6 using heterogeneous parahydrogen-induced polarization (HET-PHIP). Hyperpolarized molecules were synthesized using Rh/TiO2 solid catalyst with 1.6 nm Rh nanoparticles. Hyperpolarized (PH ∼ 1%) propane-d6 was detected at high magnetic field (9.4 T) spectroscopically and by high-resolution 3D gradient-echo MRI (4.7 T) as the gas flowed through the radiofrequency coil with a spatial and temporal resolution of 0.5 × 0.5 × 0.5 mm3 and 17.7 s, respectively. Stopped-flow hyperpolarized propane-d6 gas was also detected at 0.0475 T with an observed nuclear spin polarization of PH ∼ 0.1% and a relatively long lifetime with T1,eff = 6.0 ± 0.3 s. Importantly, it was shown that the hyperpolarized protons of the deuterated product obtained via pairwise parahydrogen addition could be detected directly at low magnetic field. Importantly, the relatively long low-field T1,eff of HP propane-d6 gas is not susceptible to paramagnetic impurities as tested by exposure to ∼0.2 atm oxygen. This long lifetime and nontoxic nature of propane gas could be useful for bioimaging applications including potentially pulmonary low-field MRI. The feasibility of high-resolution low-field 2D gradient-echo MRI was demonstrated with 0.88 × 0.88 mm2 spatial and ∼0.7 s temporal resolution, respectively, at 0.0475 T. PMID:25506406

  19. Propane gas: Handle with care

    SciTech Connect

    Fernald, D.

    1996-04-01

    Because of its chemical composition and combustion properties, this liquefied petroleum (LP) gas can be mixed with air and used as a direct replacement for natural gas with no burner or process equipment modifications. One major and growing use of propane is as a vehicle fuel. Growing industrial use of propane also has prompted the National Fire Protection Association (NFPA) to issue new codes. NFPA standard 58-95, Storing and Handling of Liquefied Petroleum Gases, stresses the need to adhere to safe work and handling practices whenever propane is involved. All employees directly handling the gas should be formally trained and certified, and recertified annually. Although the code applies only to those directly handling propane or operating propane equipment such as portable cylinder filling stations, all employees working around or with propane or other LP gases should understand the characteristics of LP gas and be aware of basic safe handling practices. The paper discusses what LP gas is, special safety concerns, the care required in refilling cylinders, and cylinder inspection.

  20. Propane-Fueled Jet Engine

    NASA Astrophysics Data System (ADS)

    Farwell, D. A.; Svenson, A. J.; Ramsier, R. D.

    2001-04-01

    We present our recent efforts to design, construct, and test a gas turbine, or jet, engine. Our design utilizes a turbocharger and ignition system from an automobile, and a flame tube/reaction chamber unit fabricated by hand from stainless steel. Once the engine is running, it is completely self-sustaining as long as there is a fuel supply, which in our case is propane. Air is forced into the intake where it is compressed and then injected into the combustion chamber where it is mixed with propane. The spark plugs ignite the air-propane mixture which burns to produce thrust at the exhaust. We have performed operational tests under different environmental conditions and with several turbochargers. We are currently working on adding a lubrication system to the engine, and will discuss our plan to experiment with the reaction chamber and flame tube design in an effort to improve performance and efficiency. *Corresponding author: rex@uakron.edu

  1. Costs Associated With Propane Vehicle Fueling Infrastructure

    SciTech Connect

    Smith, M.; Gonzales, J.

    2014-08-05

    This document is designed to help fleets understand the cost factors associated with propane vehicle fueling infrastructure. It provides an overview of the equipment and processes necessary to develop a propane fueling station and offers estimated cost ranges.

  2. Costs Associated With Propane Vehicle Fueling Infrastructure

    SciTech Connect

    Smith, M.; Gonzales, J.

    2014-08-01

    This document is designed to help fleets understand the cost factors associated with propane vehicle fueling infrastructure. It provides an overview of the equipment and processes necessary to develop a propane fueling station and offers estimated cost ranges.

  3. 75 FR 14131 - Effect on Propane Consumers of the Propane Education and Research Council's Operations, Market...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-03-24

    ... International Trade Administration Effect on Propane Consumers of the Propane Education and Research Council's... comment on whether the operation of the Propane Education and Research Council (PERC), in conjunction with..., agricultural, process and nonfuel users of propane. This notice of inquiry is part of an effort to...

  4. Enhancing aerobic biodegradation of 1,2-dibromoethane in groundwater using ethane or propane and inorganic nutrients.

    PubMed

    Hatzinger, Paul B; Streger, Sheryl H; Begley, James F

    2015-01-01

    1,2-Dibromoethane (ethylene dibromide; EDB) is a probable human carcinogen that was previously used as both a soil fumigant and a scavenger in leaded gasoline. EDB has been observed to persist in soils and groundwater, particularly under oxic conditions. The objective of this study was to evaluate options to enhance the aerobic degradation of EDB in groundwater, with a particular focus on possible in situ remediation strategies. Propane gas and ethane gas were observed to significantly stimulate the biodegradation of EDB in microcosms constructed with aquifer solids and groundwater from the FS-12 EDB plume at Joint Base Cape Cod (Cape Cod, MA), but only after inorganic nutrients were added. Ethene gas was also effective, but rates were appreciably slower than for ethane and propane. EDB was reduced to <0.02 μg/L, the Massachusetts state Maximum Contaminant Level (MCL), in microcosms that received ethane gas and inorganic nutrients. An enrichment culture (BE-3R) that grew on ethane or propane gas but not EDB was obtained from the site materials. The degradation of EDB by this culture was inhibited by acetylene gas, suggesting that degradation is catalyzed by a monooxygenase enzyme. The BE-3R culture was also observed to biodegrade 1,2-dichloroethane (DCA), a compound commonly used in conjunction with EDB as a lead scavenger in gasoline. The data suggest that addition of ethane or propane gas with inorganic nutrients may be a viable option to enhance degradation of EDB in groundwater aquifers to below current state or federal MCL values. PMID:25437228

  5. Enhancing aerobic biodegradation of 1,2-dibromoethane in groundwater using ethane or propane and inorganic nutrients

    NASA Astrophysics Data System (ADS)

    Hatzinger, Paul B.; Streger, Sheryl H.; Begley, James F.

    2015-01-01

    1,2-Dibromoethane (ethylene dibromide; EDB) is a probable human carcinogen that was previously used as both a soil fumigant and a scavenger in leaded gasoline. EDB has been observed to persist in soils and groundwater, particularly under oxic conditions. The objective of this study was to evaluate options to enhance the aerobic degradation of EDB in groundwater, with a particular focus on possible in situ remediation strategies. Propane gas and ethane gas were observed to significantly stimulate the biodegradation of EDB in microcosms constructed with aquifer solids and groundwater from the FS-12 EDB plume at Joint Base Cape Cod (Cape Cod, MA), but only after inorganic nutrients were added. Ethene gas was also effective, but rates were appreciably slower than for ethane and propane. EDB was reduced to < 0.02 μg/L, the Massachusetts state Maximum Contaminant Level (MCL), in microcosms that received ethane gas and inorganic nutrients. An enrichment culture (BE-3R) that grew on ethane or propane gas but not EDB was obtained from the site materials. The degradation of EDB by this culture was inhibited by acetylene gas, suggesting that degradation is catalyzed by a monooxygenase enzyme. The BE-3R culture was also observed to biodegrade 1,2-dichloroethane (DCA), a compound commonly used in conjunction with EDB as a lead scavenger in gasoline. The data suggest that addition of ethane or propane gas with inorganic nutrients may be a viable option to enhance degradation of EDB in groundwater aquifers to below current state or federal MCL values.

  6. Enhancing aerobic biodegradation of 1,2-dibromoethane in groundwater using ethane or propane and inorganic nutrients.

    PubMed

    Hatzinger, Paul B; Streger, Sheryl H; Begley, James F

    2015-01-01

    1,2-Dibromoethane (ethylene dibromide; EDB) is a probable human carcinogen that was previously used as both a soil fumigant and a scavenger in leaded gasoline. EDB has been observed to persist in soils and groundwater, particularly under oxic conditions. The objective of this study was to evaluate options to enhance the aerobic degradation of EDB in groundwater, with a particular focus on possible in situ remediation strategies. Propane gas and ethane gas were observed to significantly stimulate the biodegradation of EDB in microcosms constructed with aquifer solids and groundwater from the FS-12 EDB plume at Joint Base Cape Cod (Cape Cod, MA), but only after inorganic nutrients were added. Ethene gas was also effective, but rates were appreciably slower than for ethane and propane. EDB was reduced to <0.02 μg/L, the Massachusetts state Maximum Contaminant Level (MCL), in microcosms that received ethane gas and inorganic nutrients. An enrichment culture (BE-3R) that grew on ethane or propane gas but not EDB was obtained from the site materials. The degradation of EDB by this culture was inhibited by acetylene gas, suggesting that degradation is catalyzed by a monooxygenase enzyme. The BE-3R culture was also observed to biodegrade 1,2-dichloroethane (DCA), a compound commonly used in conjunction with EDB as a lead scavenger in gasoline. The data suggest that addition of ethane or propane gas with inorganic nutrients may be a viable option to enhance degradation of EDB in groundwater aquifers to below current state or federal MCL values.

  7. Toxic exposure to ethylene dibromide and mercuric chloride: effects on laboratory-reared octopuses.

    PubMed

    Adams, P M; Hanlon, R T; Forsythe, J W

    1988-01-01

    The effects of acute and chronic exposure to either ethylene dibromide (EDB) or mercuric chloride (MC) were studied in laboratory-reared Octopus joubini, O. maya and O. bimaculoides. The advantages of using octopuses were that the responses were immediate, highly visible and sensitive. All species demonstrated signs of toxicity to acute and chronic exposure to EDB and to MC. A dosage-sensitive relationship for the loss and subsequent recovery of locomotor response and of chromatophore expansion was found for each species after acute exposure. For each species the LC50 for chronic exposure occurred within 12 hr at 100 mg/l for EDB and within 3 hr at 1,000 mg/l for MC. This study demonstrated the potential usefulness of laboratory-reared octopuses in evaluating the toxicity of marine environmental pollutants.

  8. Synthesis, growth and characterization of a novel semiorganic NLO crystal: Triglycine calcium dibromide

    NASA Astrophysics Data System (ADS)

    Esthaku Peter, M.; Ramasamy, P.

    2010-06-01

    Triglycine calcium dibromide, a new semiorganic nonlinear optical material, has been grown by slow solvent evaporation technique for the first time. The size of the grown crystal is up to the dimension of 20×12×4 mm 3. They were characterized by single crystal X-ray diffraction for confirming the coordination formed and FTIR spectral analysis for identifying the functional groups present in the compound. Optical behavior such as UV-vis-NIR transmission spectrum and second-harmonic generation were investigated to explore the NLO characteristics of the material. Thermal analysis was carried out to determine the melting point and the thermal stability of the grown crystal. Dielectric constant and dielectric loss measurements were carried out at different temperatures and frequencies. Mechanical studies were carried out on the as-grown crystal to find Vicker's microhardness and yield strength. Laser damage threshold studies were also performed on the as-grown crystal.

  9. Toxic exposure to ethylene dibromide and mercuric chloride: effects on laboratory-reared octopuses.

    PubMed

    Adams, P M; Hanlon, R T; Forsythe, J W

    1988-01-01

    The effects of acute and chronic exposure to either ethylene dibromide (EDB) or mercuric chloride (MC) were studied in laboratory-reared Octopus joubini, O. maya and O. bimaculoides. The advantages of using octopuses were that the responses were immediate, highly visible and sensitive. All species demonstrated signs of toxicity to acute and chronic exposure to EDB and to MC. A dosage-sensitive relationship for the loss and subsequent recovery of locomotor response and of chromatophore expansion was found for each species after acute exposure. For each species the LC50 for chronic exposure occurred within 12 hr at 100 mg/l for EDB and within 3 hr at 1,000 mg/l for MC. This study demonstrated the potential usefulness of laboratory-reared octopuses in evaluating the toxicity of marine environmental pollutants. PMID:3072470

  10. Induction of delayed mutations by benzene and ethylene dibromide in drosophila

    SciTech Connect

    Kale, P.; Kale, R.

    1995-08-01

    Two carcinogens, ethylene dibromide and benzene, were used to induce delayed (germinal mosaic) sex-linked recessive lethal mutations in spermatozoa and spermatids of adult Drosophila males. Significant numbers of delayed mutations (in F{sub 3}) were scored in absence of conventional (in F{sub 2}) mutations. A large proportion of nonlethal F{sub 2} cultures carried delayed mutations, so much so that, in some cultures, all F{sub 2} females were carriers of mutations. The mechanism through which single strand damage to treated X chromosomes can result in such delayed lethals is discussed. These observations indicate that the delayed mutation test should be used for testing the mutagenicity of environmental compounds, especially carcinogens, which tested negative in the conventional sex-linked recessive lethal mutation test. The data will support the relationship between mutagenesis and carcinogenesis and, also will further enhance the sensitivity of the Drosophila mutation assay. 12 refs., 4 tabs.

  11. Association of ethylene dibromide (EDB) with mature cranberry (Vaccinium macrocarpon) fruit.

    PubMed

    Xia, K; Rice, C W

    2001-03-01

    Ethylene dibromide (EDB), a potential carcinogen, has been used in gasoline mixtures to avoid the accumulation of metallic lead in engines. Ethylene dibromide is present in the environment and in groundwater. Previous analysis has shown that EDB levels have reached up to 16 microg L-1 in the groundwater at two fuel spill plumes in the vicinity of the Massachusetts Military Reservation (MMR) Base and up to 1.69 microg L-1 in the Coonamessett and Quashnet Rivers in Cape Cod, MA (U.S. Air Force IRP, Fact Sheet #98-10, 1998). Groundwater and river water from this area are used to flood some local cranberry bogs for irrigation and harvesting of cranberry fruits. The potential sorption of EDB by cranberry fruits during harvest has caused concern but information regarding its occurrence is not available. In this study, low levels of EDB (0.04-0.15 microg kg-1) were found to be associated with cranberry fruits that were exposed to EDB at levels ranging from 3 to 12 microg L-1 at 10, 20, and 30 degrees C for up to 7 days. Rinsing EDB-exposed cranberry fruits twice with deionized water or once with 0.01 M NaCl solution reduced the amount of EDB associated with the cranberry fruits by 65-72% to a level of 0.02 microg kg-1. Therefore, the EDB most likely is associated with the water residue on the surface of the cranberry fruit rather than being absorbed into the flesh of the fruit during the EDB exposure.

  12. Catalysis of propane oxidation and premixed propane-air flames

    NASA Astrophysics Data System (ADS)

    Wiswall, James T.

    Improvements in deriving energy from hydrocarbon fuels will have a large impact on our efforts to transition to sustainable and renewable energy resources. The hypothesis for this work is that catalysis can extend the useful operating conditions for hydrocarbon oxidation and combustion, improve device efficiencies, and reduce pollutants. Catalysis of propane oxidation and premixed propane-air flames are examined experimentally, using a stagnation-flow reactor to identify the important physical and chemical mechanisms over a range of flow catalyst, and temperature conditions. The propane oxidation studies consider five catalyst materials: platinum, palladium, SnO2, 90% SnO2 -- 10% Pt (by mass), and quartz. The volume fractions of CO2, O2, C 3H8, CO, NO and the electric power required to control the catalyst temperature quantify the activity of each catalyst for the equivalence ratios of φ = 0.67, 1.00, and 1.50, and over the catalyst temperature range 23-800°C. Quartz is used as a baseline and confirmed to be non-reactive at all conditions. 100% SnO2 has minimal reactivity. Platinum, palladium, and 90% SnO2 -- 10% Pt show similar trends and have the highest catalytic activity at φ = 1.50. Palladium and 90% SnO 2 -- 10% Pt show an increasing catalyst-activation temperature (Tsa) for decreasing φ, and platinum shows an approximately constant catalyst-activation temperature for decreasing φ (Tsa = 310°C). Of these the 90% SnO2 -- 10% Pt catalyst shows the lowest Tsa, occurring for the φ = 1.5 mixture (Tsa = 250°C). The studies of premixed propane-air flames consider platinum and quartz stagnation surfaces for fuel-mixture velocities from 0.6-1.6 m/s. Five flame structures are observed: cool core envelope, cone, envelope, disk and ring flames. The lean-extinction limit, disk-to-ring flame transition φ, and the disk-flame to stagnation-plane distance are reported. Platinum inhibits the ring flame structure. The lean-extinction limit and disk-flame to stagnation

  13. Silane-propane ignitor/burner

    DOEpatents

    Hill, Richard W.; Skinner, Dewey F.; Thorsness, Charles B.

    1985-01-01

    A silane propane burner for an underground coal gasification process which is used to ignite the coal and to controllably retract the injection point by cutting the injection pipe. A narrow tube with a burner tip is positioned in the injection pipe through which an oxidant (oxygen or air) is flowed. A charge of silane followed by a supply of fuel, such as propane, is flowed through the tube. The silane spontaneously ignites on contact with oxygen and burns the propane fuel.

  14. Silane-propane ignitor/burner

    DOEpatents

    Hill, R.W.; Skinner, D.F. Jr.; Thorsness, C.B.

    1983-05-26

    A silane propane burner for an underground coal gasification process which is used to ignite the coal and to controllably retract the injection point by cutting the injection pipe. A narrow tube with a burner tip is positioned in the injection pipe through which an oxidant (oxygen or air) is flowed. A charge of silane followed by a supply of fuel, such as propane, is flowed through the tube. The silane spontaneously ignites on contact with oxygen and burns the propane fuel.

  15. Ethylene dibromide: Biochemical effects and environmental concerns. (Latest citations from the Life Sciences Collection database). Published Search

    SciTech Connect

    Not Available

    1993-05-01

    The bibliography contains citations concerning the toxicity and environmental issues pertaining to the fumigant ethylene dibromide. Topics include effects on liver activity, respiratory systems and DNA synthesis in laboratory animals, comparisons and synergistic effects with other pesticides, and occupational health considerations. The distribution of the compound in the environment and its effectiveness as a fumigant are also considered. (Contains a minimum of 100 citations and includes a subject term index and title list.)

  16. Dual Carbon-Bromine Stable Isotope Analysis Allows Distinguishing Transformation Pathways of Ethylene Dibromide.

    PubMed

    Kuntze, Kevin; Kozell, Anna; Richnow, Hans H; Halicz, Ludwik; Nijenhuis, Ivonne; Gelman, Faina

    2016-09-20

    The present study investigated dual carbon-bromine isotope fractionation of the common groundwater contaminant ethylene dibromide (EDB) during chemical and biological transformations, including aerobic and anaerobic biodegradation, alkaline hydrolysis, Fenton-like degradation, debromination by Zn(0) and reduced corrinoids. Significantly different correlation of carbon and bromine isotope fractionation (ΛC/Br) was observed not only for the processes following different transformation pathways, but also for abiotic and biotic processes with, the presumed, same formal chemical degradation mechanism. The studied processes resulted in a wide range of ΛC/Br values: ΛC/Br = 30.1 was observed for hydrolysis of EDB in alkaline solution; ΛC/Br between 4.2 and 5.3 were determined for dibromoelimination pathway with reduced corrinoids and Zn(0) particles; EDB biodegradation by Ancylobacter aquaticus and Sulfurospirillum multivorans resulted in ΛC/Br = 10.7 and 2.4, respectively; Fenton-like degradation resulted in carbon isotope fractionation only, leading to ΛC/Br ∞. Calculated carbon apparent kinetic isotope effects ((13)C-AKIE) fell with 1.005 to 1.035 within expected ranges according to the theoretical KIE, however, biotic transformations resulted in weaker carbon isotope effects than respective abiotic transformations. Relatively large bromine isotope effects with (81)Br-AKIE of 1.0012-1.002 and 1.0021-1.004 were observed for nucleophilic substitution and dibromoelimination, respectively, and reveal so far underestimated strong bromine isotope effects. PMID:27526716

  17. A physiologically-based pharmacokinetic(PB-PK) model for ethylene dibromide: relevance of extrahepatic metabolism.

    PubMed

    Hissink, A M; Wormhoudt, L W; Sherratt, P J; Hayes, J D; Commandeur, J N; Vermeulen, N P; van Bladeren, P J

    2000-08-01

    A physiologically-based pharmacokinetic (PB-PK) model was developed for ethylene dibromide (1,2-dibromoethane, EDB) for rats and humans, partly based on previously published in vitro data (Ploemen et al., 1997). In the present study, this PB-PK model has been validated for the rat. In addition, new data were used for the human class ThetaGST T1-1. Validation experiments are described in order to test the predictive value of kinetics to describe "whole-body" metabolism. For the validation experiments, groups of cannulated rats were dosed orally or intravenously with different doses of EDB. Obtained blood concentration-time curves of EDB for all dosing groups were compared to model predictions. It appeared that metabolism, which previously was assumed to be restricted to the liver, was underestimated. Therefore, we extended the PB-PK model to include all the extrahepatic organs, in which the enzymes involved in EDB metabolism have been detected and quantified. With this extended model, the blood concentrations were much more accurately described compared to the predictions of the "liver-model". Therefore, extrahepatic metabolism was also included in the human model. The present study illustrates the potential application of in vitro metabolic parameters in risk assessment, as well as the use of PB-PK modelling as a tool to understand and predict in vivo data.

  18. Dual Carbon-Bromine Stable Isotope Analysis Allows Distinguishing Transformation Pathways of Ethylene Dibromide.

    PubMed

    Kuntze, Kevin; Kozell, Anna; Richnow, Hans H; Halicz, Ludwik; Nijenhuis, Ivonne; Gelman, Faina

    2016-09-20

    The present study investigated dual carbon-bromine isotope fractionation of the common groundwater contaminant ethylene dibromide (EDB) during chemical and biological transformations, including aerobic and anaerobic biodegradation, alkaline hydrolysis, Fenton-like degradation, debromination by Zn(0) and reduced corrinoids. Significantly different correlation of carbon and bromine isotope fractionation (ΛC/Br) was observed not only for the processes following different transformation pathways, but also for abiotic and biotic processes with, the presumed, same formal chemical degradation mechanism. The studied processes resulted in a wide range of ΛC/Br values: ΛC/Br = 30.1 was observed for hydrolysis of EDB in alkaline solution; ΛC/Br between 4.2 and 5.3 were determined for dibromoelimination pathway with reduced corrinoids and Zn(0) particles; EDB biodegradation by Ancylobacter aquaticus and Sulfurospirillum multivorans resulted in ΛC/Br = 10.7 and 2.4, respectively; Fenton-like degradation resulted in carbon isotope fractionation only, leading to ΛC/Br ∞. Calculated carbon apparent kinetic isotope effects ((13)C-AKIE) fell with 1.005 to 1.035 within expected ranges according to the theoretical KIE, however, biotic transformations resulted in weaker carbon isotope effects than respective abiotic transformations. Relatively large bromine isotope effects with (81)Br-AKIE of 1.0012-1.002 and 1.0021-1.004 were observed for nucleophilic substitution and dibromoelimination, respectively, and reveal so far underestimated strong bromine isotope effects.

  19. Effects of ethylene dibromide on hydra oligactis: parent and offspring toxicity study

    SciTech Connect

    Wilson, B.A.; Adams, J.A.

    1988-04-01

    Ethylene Dibromide (EDB) has become increasingly prevalent in the environment due to its uses as soil, fruit, and grain fumigants, lead scavengers in petrol, and industrial solvent. Because of its increasing environmental prevalence and its proposed toxic effects of EDB on Hydras, parents (P1) which have been pre-exposed to an established sublethal concentration for 14 days. The effect of nonexposed offspring (F1/P2) taken from pre-exposed parents (P1) versus their untreated offspring (F2) will also be evaluated. This mortality study revealed that the LC50 of both parents and F1's shifted from 50 mg/L, to 106.25 mg/L and 118.75 mg/L respectively, which suggest that exposed Hydras possibly become more tolerant to EDB. In the F2 generation, after 48 and 72 hrs 10% mortality was observed in the 200 mg/L group, 30% at 250 mg/L and 20% at 300 mg/L which indicated that the resistance to EDB toxicity is inheritable. There is also a strong dose-response correlation between EDB concentration and mortality.

  20. Propane vehicles : status, challenges, and opportunities.

    SciTech Connect

    Rood Werpy, M.; Burnham, A.; Bertram, K.; Energy Systems

    2010-06-17

    Propane as an auto fuel has a high octane value and has key properties required for spark-ignited internal combustion engines. To operate a vehicle on propane as either a dedicated fuel or bi-fuel (i.e., switching between gasoline and propane) vehicle, only a few modifications must be made to the engine. Until recently propane vehicles have commonly used a vapor pressure system that was somewhat similar to a carburetion system, wherein the propane would be vaporized and mixed with combustion air in the intake plenum of the engine. This leads to lower efficiency as more air, rather than fuel, is inducted into the cylinder for combustion (Myers 2009). A newer liquid injection system has become available that injects propane directly into the cylinder, resulting in no mixing penalty because air is not diluted with the gaseous fuel in the intake manifold. Use of a direct propane injection system will improve engine efficiency (Gupta 2009). Other systems include the sequential multi-port fuel injection system and a bi-fuel 'hybrid' sequential propane injection system. Carbureted systems remain in use but mostly for non-road applications. In the United States a closed-loop system is used in after-market conversions. This system incorporates an electronic sensor that provides constant feedback to the fuel controller to allow it to measure precisely the proper air/fuel ratio. A complete conversion system includes a fuel controller, pressure regulator valves, fuel injectors, electronics, fuel tank, and software. A slight power loss is expected in conversion to a vapor pressure system, but power can still be optimized with vehicle modifications of such items as the air/fuel mixture and compression ratios. Cold start issues are eliminated for vapor pressure systems since the air/fuel mixture is gaseous. In light-duty propane vehicles, the fuel tank is typically mounted in the trunk; for medium- and heavy-duty vans and trucks, the tank is located under the body of the vehicle

  1. Movement and fate of ethylene dibromide (EDB) in ground water in Seminole County, Georgia

    USGS Publications Warehouse

    McConnell, J.B.

    1987-01-01

    An investigation to assess the movement and fate of ethylene dibromide (EDB) in the Upper Floridan aquifer (formerly the principal artesian aquifer) was conducted, because a previous investigation conducted in August 1983, had found EDB contamination of the aquifer in about a 4 sq mi area in central Seminole County, Georgia. Analyses of water from wells resampled in June 1985 indicate that EDB was present in the groundwater 2 yr after last being applied as a soil fumigant. The investigation revealed that groundwater recharge and irrigation pumping between August 1983 and June 1985 did not substantially change the areal extent of EDB in the Upper Floridan aquifer but concentrations of EDB seem to be declining. The highest concentrations again were found in two irrigation wells near Buck Hole, a sinkhole in a swampy depression in central Seminole County. EDB concentrations in these two wells ranged from 1.5 to 13 micrograms/L. Samples from two of three wells in the residuum near Buck Hole also had detectable concentrations of EDB. The presence of EDB in water samples from wells tapping the residuum and wells tapping the Upper Floridan aquifer indicates that agriculturally applied EDB has moved downward from the surface soils through the residuum and into the aquifer. Results of aquifer tests conducted in a similar geohydrologic setting suggest that local pumping from the highly transmissive aquifer may accelerate downward movement of water and EDB. Potentiometric surface maps of the Upper Floridan aquifer indicate that east of Fishpond Drain, where the highest concentrations of EDB were detected, the direction of groundwater flow and the direction of potential EDB transport generally is south-southeasterly. However, the movement of an EDB plume from the area of relatively high concentrations near Buck Hole along inferred groundwater flow lines was not detected. (Author 's abstract)

  2. Structure, spectroscopy and DFT calculations of 1,2-di(3-hydroxymethylpyridinium)ethane dibromide

    NASA Astrophysics Data System (ADS)

    Komasa, Anna; Barczyński, Piotr; Ratajczak-Sitarz, Małgorzata; Katrusiak, Andrzej; Dega-Szafran, Zofia; Szafran, Mirosław

    2016-09-01

    The molecular structure of 1,2-di(3-hydroxymethylpyridinium)ethane dibromide (1) has been characterized by X-ray diffraction, B3LYP/6-311++G(d,p) calculations, FTIR, Raman and NMR spectra. The crystals are monoclinic, space group C2/c. 1,2-Di(3-hydroxymethylpyridinium)ethane dication and hydrogen-bonded bromide anions in crystals are located at the inversion center. The both CH2OH groups are engaged in two equal length hydrogen bonds with bromide anions. Two structures (2) and (3) were optimized at the B3LYP/6-311++G(d,p) level of theory. The optimized complex (2) resembles the crystal structure, while complex (3) is preferred energetically. The O⋯Br- hydrogen bonds distances are: 3.289(2) Å in crystals (1), but in the optimized structures (2) and (3) they are 3.303 Å and 3.461 Å, respectively. The investigated complex is additionally stabilized by the N+⋯Br- electrostatic attractions. The potential energy distributions (PED) were used for the assignments of IR and Raman frequencies in the experimental and calculated spectra of the title compound. The FTIR spectrum of (1) is consistent with the X-ray results. Interpretation of the 1H and 13C NMR spectra in DMSO-d6 has been based on 2D experiments. The calculated GIAO/B3LYP/6-311++G(d,p) magnetic shielding constants have been used to predict 1H and 13C chemical shifts for the optimized structures of (2) and (3).

  3. Optical characteristics and parameters of gas-discharge plasma in a mixture of mercury dibromide vapor with argon

    SciTech Connect

    Malinina, A. A. Malinin, A. N.

    2015-03-15

    Results are presented from studies of the optical characteristics and parameters of the plasma of a dielectric barrier discharge in a mixture of mercury dibromide vapor with argon—the working medium of an exciplex gas-discharge emitter. It is established that the partial pressures of mercury dibromide vapor and argon at which the average and pulsed emission intensities in the blue—green spectral region (λ{sub max} = 502 nm) reach their maximum values are 0.6 and 114.4 kPa, respectively. The electron energy distribution function, the transport characteristics, the specific power spent on the processes involving electrons, the electron density and temperature, and the rate constants for the processes of elastic and inelastic electron scattering from the molecules and atoms of the working mixture are determined by numerical simulation, and their dependences on the reduced electric field strength are analyzed. The rate constant of the process leading to the formation of exciplex mercury monobromide molecules for a reduced electric field of E/N = 20 Td, at which the maximum emission intensity in the blue—green spectral region was observed in this experiment, is found to be 8.1 × 10{sup −15} m{sup 3}/s.

  4. Investigation of ethylene dibromide (EDB) in ground water in Seminole County, Georgia

    USGS Publications Warehouse

    McConnell, James B.; Hicks, D.W.; Lowe, L. E.; Cohen, S.Z.; Jovanovich, A.P.

    1984-01-01

    An investigation of ground water in Seminole County, Georgia, for ethylene dibromide (EDB) was conducted in August 1983 by the U.S. Geological Survey in cooperation with the Exposure Assessment Branch of the U.S. Environmental Protection Agency. The purpose of the investigation was to determine whether EDB, which was previously detected in ground-water samples from four neighboring wells, was localized in the vicinity of the wells or was more widespread in the ground-water system. EDB was detected in 6 of 19 wells sampled. Concentrations ranged from 0.03 to 11.8 micrograms per liter. Five of the six samples that contained EDB were collected from irrigation wells, and one was collected from a domestic well. Concentrations of 4.5 and 11.8 micrograms per liter were found in two irrigation wells located near Buck Hole, a sinkhole in a swampy depression in central Seminole County. EDB was not detected in samples from the remaining 10 irrigation and 3 domestic wells and the surface-water site (detection level less than 0.01 microgram per liter). Nine core samples were collected from a borehole near one of the irrigation wells that had high EDB concentrations. EDB was found in a core sample near the surface and in samples from depths of 24 to 25, 34 to 35, and 39 to 40 feet in the residuum. EDB concentrations in the core samples ranged from 0.06 to 2.4 micrograms per kilogram. EDB in the aquifer was found in a 4-square-mile area of the county in the vicinity of Buck Hole. EDB application information and the local hydrogeology indicate that EDB contamination in ground water in Seminole County probably is due to soil fumigation with EDB. Apparently, EDB moves downward through the residuum and, through undetermined pathways, enters the aquifer. However, because the high concentration of EDB in the aquifer seems to be localized in the Buck Hole area, the possibility of contamination from an EDB fumigant spill cannot be disregarded at this time.

  5. Anaerobic propane oxidation in marine hydrocarbon seep sediments

    NASA Astrophysics Data System (ADS)

    Quistad, Steven D.; Valentine, David L.

    2011-04-01

    Propane (C 3H 8) is an abundant hydrocarbon in subsurface reservoirs with significance to atmospheric chemistry and to marine biogeochemistry. The anaerobic oxidation of propane coupled to sulfate reduction may prevent sub-seafloor accumulations of propane from entering the ocean and atmosphere. Anaerobic oxidation of propane has recently been demonstrated in cultures of novel sulfate-reducing bacteria, but has not been directly demonstrated or quantified in nature. In this work we describe a method involving incubation with 13C-propane to quantify rates of anaerobic oxidation of propane in anoxic sediment, and we conclusively demonstrate the oxidation of propane under sulfidic conditions in fresh sediments of a marine hydrocarbon seep. Observed rates of anaerobic oxidation of propane adhere to first-order kinetic behavior, enabling the modification of this method for whole core rate determinations. Whole core rates in nine cores from two hydrocarbon seeps measured 0.04-2100 nmoles C 3H 8 cm -3 day -1 by this method. The seep persistently supplied with more propane displayed substantially higher rates of anaerobic oxidation of propane, by 1-2 orders of magnitude when averaged over the top 10-cm, suggesting the development of the microbial community is strongly modulated by the availability of propane. This work is the first to estimate rates for anaerobic oxidation of propane in any environment, and demonstrates the potential importance of the process as a filter for preventing propane from entering the ocean and atmosphere.

  6. No. 2 heating oil/propane program

    SciTech Connect

    McBrien, J.

    1991-06-01

    During the 1990/91 heating season, the Massachusetts Division of Energy Resources (DOER) participated in a joint data collection program between several state energy offices and the federal Department of Energy's (DOE) Energy Information Administration (EIA). The purpose of the program was to collect and monitor retail and wholesale heating oil and propane prices and inventories from October 1990 through March 1991. This final report begins with an overview of the unique events which had an impact on the reporting period. Next, the report summarizes the results from the residential heating oil and propane price surveys conducted by DOER over the 1990/91 heating season. The report also incorporates the wholesale heating oil and propane prices and inventories collected by the EIA and distributed to the states.

  7. Propane Clathrate Hydrate Formation Accelerated by Methanol.

    PubMed

    Amtawong, Jaruwan; Guo, Jin; Hale, Jared S; Sengupta, Suvrajit; Fleischer, Everly B; Martin, Rachel W; Janda, Kenneth C

    2016-07-01

    The role of methanol as both an inhibitor and a catalyst for the formation of clathrate hydrates (CHs) has been a topic of intense study. We report a new quantitative study of the kinetics of propane CH formation at 253 K from the reaction of propane gas with <75 μm ice particles that have been doped with varying amounts of methanol. We find that methanol significantly accelerates the formation reaction with quite small doping quantities. Even for only 1 methanol molecule per 10 000 water molecules, the maximum uptake rate of propane into CHs is enhanced and the initiation pressure is reduced. These results enable more efficient production of CHs for gas storage. This remarkable acceleration of the CH formation reaction by small quantities of methanol may place constraints on the mechanism of the inhibition effect observed under other conditions, usually employing much larger quantities of methanol. PMID:27275862

  8. Optical characteristics and parameters of gas-discharge plasma in a mixture of mercury dibromide vapor with neon

    SciTech Connect

    Malinina, A. A. Malinin, A. N.

    2013-12-15

    Results are presented from studies of the optical characteristics and parameters of plasma of a dielectric barrier discharge in a mixture of mercury dibromide vapor with neon—the working medium of a non-coaxial exciplex gas-discharge emitter. The electron energy distribution function, the transport characteristics, the specific power losses for electron processes, the electron density and temperature, and the rate constants for the processes of elastic and inelastic electron scattering by the working mixture components are determined as functions of the reduced electric field. The rate constant of the process leading to the formation of exciplex mercury monobromide molecules is found to be 1.6 × 10{sup −14} m{sup 3}/s for a reduced electric field of E/N = 15 Td, at which the maximum emission intensity in the blue-green spectral region (λ{sub max} = 502 nm) was observed in this experiment.

  9. Industrial-hygiene report, walk-through survey, papaya packing/shipping facilities, Hilo, Hawaii, July 1983. [Ethylene dibromide exposure

    SciTech Connect

    Clapp, D.

    1983-07-01

    Worker exposure to ethylene dibromide (EDB) was investigated at three papaya packing and shipping facilities in Hilo, Hawaii. Breathing-zone samples were collected in the three facilities over a three day period. Blind spikes were submitted as a control on time and temperature effects. Blank samples were also prepared. Spike results reflected the effects of time and temperature in shipment from Hawaii to Massachusetts. All spikes were roughly comparable and showed a recovery of about 68%. Overnight laboratory results were adjusted upward by 72% and NIOSH laboratory results by 68%. Six out of 38 samples exceeded the NIOSH recommended amount of 130 ppb. The author concludes that there is a chronic, low-concentration exposure to EDB for all workers in the papaya industry in Hilo. An epidemiological study of reproductive and cytogenetic effects of EDB exposure on these workers is recommended.

  10. . . . While Others Conserve Cash by Converting from Gasoline to Propane.

    ERIC Educational Resources Information Center

    Rasmussen, Scott A.

    1988-01-01

    Since 1983, when the David Douglas Public Schools (Portland, Oregon) converted 30 buses to propane fuel, the district has saved $75,000 in fuel and maintenance costs. Propane is priced consistently lower than gasoline and burns cleaner. Since propane engines do not require a carburetor, there are fewer maintenance problems. (MLH)

  11. Case Study - Propane School Bus Fleets

    SciTech Connect

    Laughlin, M; Burnham, A.

    2014-08-31

    As part of the U.S. Department of Energy’s (DOE’s) effort to deploy transportation technologies that reduce U.S. dependence on imported petroleum, this study examines five school districts, one in Virginia and four in Texas, successful use of propane school buses. These school districts used school buses equipped with the newly developed liquid propane injection system that improves vehicle performance. Some of the school districts in this study saved nearly 50% on a cost per mile basis for fuel and maintenance relative to diesel. Using Argonne National Laboratory’s Alternative Fuel Life-Cycle Environmental and Economic Transportation (AFLEET) Tool developed for the DOE’s Clean Cities program to help Clean Cities stakeholders estimate petroleum use, greenhouse gas (GHG) emissions, air pollutant emissions and cost of ownership of light-duty and heavy-duty vehicles, the results showed payback period ranges from 3—8 years, recouping the incremental cost of the vehicles and infrastructure. Overall, fuel economy for these propane vehicles is close to that of displaced diesel vehicles, on an energy-equivalent basis. In addition, the 110 propane buses examined demonstrated petroleum displacement, 212,000 diesel gallon equivalents per year, and GHG benefits of 770 tons per year.

  12. Portland Public School Children Move with Propane

    SciTech Connect

    Not Available

    2004-04-01

    This 2-page Clean Cities fact sheet describes the use of propane as a fuel source for Portland Public Schools' fleet of buses. It includes information on the history of the program, along with contact information for the local Clean Cities Coordinator and Portland Public Schools.

  13. Titan's prolific propane: The Cassini CIRS perspective

    NASA Astrophysics Data System (ADS)

    Nixon, C. A.; Jennings, D. E.; Flaud, J.-M.; Bézard, B.; Teanby, N. A.; Irwin, P. G. J.; Ansty, T. M.; Coustenis, A.; Vinatier, S.; Flasar, F. M.

    2009-11-01

    Although propane gas ( C3H8) was first detected in the stratosphere of Titan by the Voyager IRIS infrared spectrometer in 1980, obtaining an accurate measurement of its abundance has proved difficult. All existing measurements have been made by modeling the ν26 band at 748cm-1: however, different analyzes over time have yielded quite different results, and it also suffers from confusion with the strong nearby ν5 band of acetylene. In this paper we select large spectral averages of data from the Cassini Composite Infrared Spectrometer (CIRS) obtained in limb-viewing mode at low latitudes (30 ∘S-30 ∘N), greatly increasing the path length and hence signal-to-noise ratio for optically thin trace species such as propane. By modeling and subtracting the emissions of other gas species, we demonstrate that at least six infrared bands of propane are detected by CIRS, including two not previously identified in Titan spectra. Using a new linelist for the range 1300-1400 cm-1, along with an existing GEISA list, we retrieve propane abundances from two bands at 748 and 1376 cm-1. At 748 cm-1 we retrieve 4.2±0.5×10-7 ( 1-σ error) at 2 mbar, in good agreement with previous studies, although lack of hotbands in the present spectral atlas remains a problem. We also determine 5.7±0.8×10-7 at 2 mbar from the 1376 cm-1 band - a value that is probably affected by systematic errors including continuum gradients due to haze and also an imperfect model of the ν6 band of ethane. This study clearly shows for the first time the ubiquity of propane's emission bands across the thermal infrared spectrum of Titan, and points to an urgent need for further laboratory spectroscopy work, both to provide the line positions and intensities needed to model these bands, and also to further characterize haze spectral opacity. The present lack of accurate modeling capability for propane is an impediment not only for the measurement of propane itself, but also for the search for the emissions of

  14. Ethylene dibromide: biochemical effects and environmental concerns. January 1978-September 1988 (Citations from the Life Sciences Collection data base). Report for January 1978-September 1988

    SciTech Connect

    Not Available

    1988-10-01

    This bibliography contains citations concerning the toxicity and environmental issues pertaining to the fumigant ethylene dibromide. Topics include effects on liver activity, respiratory systems and DNA synthesis in laboratory animals, comparisons and synergistic effects with other pesticides, and occupational-health considerations. The distribution of the compound in the environment and its effectiveness as a fumigant are also considered. (This updated bibliography contains 193 citations, 51 of which are new entries to the previous edition.)

  15. Radiolytic oxidation of propane. [Gamma radiation

    SciTech Connect

    Gupta, A.K.

    1983-01-01

    The Co-60 ..gamma.. radiolysis of gaseous propane was studied at 100 torr pressure and 25/sup 0/C, both pure and with 10% added oxygen. In the unscavenged system the major products and their G-values were hydrogen, 4.99; methane, 1.30; ethane, 1.95; iso-butane, 0.61; n-butane, 0.25; i-pentane, 0.42; n-pentane, 0.14; and hexanes, 0.89. Minor products were heptanes, 0.082; octanes, 0.067; nonanes, 0.088, and decanes, 0.033. Small yields of ethylene and propylene were also observed. Yields in the presence of 10% added oxygen were hydrogen, 1.87; methane, 0.83; and ethane, 1.22. Higher saturated hydrocarbons were eliminated. The reaction scheme for formation of major products was examined using computer modeling based on 24 reactions in the unscavenged system and 28 reactions in the propane-oxygen system. Yields could be brought into agreement with the data within experimental error in nearly all cases, but in the pure propane system it was necessary to assume that the molecular hydrogen yield was accompanied by the deposition of polymer on the vessel wall.

  16. Adsorptive separation of propylene-propane mixtures

    SciTech Connect

    Jaervelin, H.; Fair, J.R. )

    1993-10-01

    The separation of propylene-propane mixtures is of great commercial importance and is carried out by fractional distillation. It is claimed to be the most energy-intensive distillation practiced in the United States. The purpose of this paper is to describe experimental work that suggests a practical alternative to distillation for separating the C[sub 3] hydrocarbons: adsorption. As studied, the process involves three adsorptive steps: initial separation with molecular sieves with heavy dilution with an inert gas; separation of propylene and propane separately from the inert gas, using activated carbon; and drying of the product streams with any of several available desiccants. The research information presented here deals with the initial step and includes both equilibrium and kinetic data. Isotherms are provided for propylene and propane adsorbed on three zeolites, activated alumina, silica gel, and coconut-based activated carbon. Breakthrough data are provided for both adsorption and regeneration steps for the zeolites, which were found to be superior to the other adsorbents for breakthrough separations. A flow diagram for the complete proposed process is included.

  17. Detonation Initiation by Gradient Mechanism in Propane--Oxygen and Propane--Air Mixtures

    NASA Astrophysics Data System (ADS)

    Rakitin, Aleksandr; Popov, Ilya; Starikovskiy, Andrey; neqlab Team

    2011-10-01

    An experimental study of detonation initiation by high-voltage nanosecond gas discharge has been performed in smooth detonation tubes. A gradient mechanism was used to initiate detonations in stoichiometric propane-oxygen mixtures with different nitrogen dilution and in propane-air mixtures. Initial pressures from 0.2 to 1bar have been tested. Detonation was formed within 4 transverse tube sizes at initial pressures higher than 0.2 bar for the propane-oxygen mixture and higher than 0.8 bar for the diluted mixture with 40% of nitrogen. The discharge energy inputs were 0.2-0.3 J. The gradient mechanism of detonation formation similar to the one suggested by Zeldovich has been shown to be the governing process. For the mixture with air, a detonation tube with an annular discharge chamber has been designed and tested.

  18. Unidirectional growth of non-linear optical triglycine calcium dibromide single crystal by a Sankaranaryanan-Ramasamy method

    NASA Astrophysics Data System (ADS)

    Babu Rao, G.; Rajesh, P.; Ramasamy, P.

    2016-04-01

    Single crystals oriented along prerequisite direction are very important in terms of reducing loss of material and cost during nonlinear optical device fabrication. A transparent uniaxial triglycine calcium dibromide single crystal having dimension of 10 mm diameter and 126 mm length was grown by a Sankaranarayanan-Ramasamy (SR) method with a growth rate of 2 mm per day. From the optical transmittance study it is observed that the crystal grown by the SR method has 10% higher transmittance compared to a conventional method grown crystals. High intense luminescence at 368 nm for the SR method grown crystal is observed from the photoluminescence study. The etch pit density of the conventional and SR method grown crystal is found as 4.5×103 cm-2 and 3.5×103 cm-2 respectively. The average laser damage threshold obtained on the conventional method grown crystal was 3.74 Gw/cm2 whereas a high damage threshold of 4.78 Gw/cm2 was obtained for the SR grown crystal. The crystal grown by the SR method shows high mechanical strength and good laser damage stability with low dislocation density which make it suitable for the SHG device fabrication.

  19. Metabolism of the soil and groundwater contaminants, ethylene dibromide and trichloroethylene, by the tropical leguminous tree, Leuceana leucocephala.

    PubMed

    Doty, Sharon Lafferty; Shang, Tanya Qing; Wilson, Angela M; Moore, Allison Leigh; Newman, Lee A; Strand, Stuart Edward; Gordon, Milton Paul

    2003-01-01

    Ethylene dibromide (EDB; dibromoethane) and trichloroethylene (TCE) are hazardous environmental pollutants. The use of plants to treat polluted sites and groundwater, termed phytoremediation, requires plants that can both effectively remove the pollutant as well as grow in the climatic region of the site. In this paper, we report that the tropical leguminous tree, Leuceana leucocephala var. K636, is able to take up and metabolize EDB and TCE. The plants were grown in sterile hydroponic solution without its symbiont, Rhizobium. EDB and TCE were both metabolized by the plant, as indicated by the formation of bromide ion from EDB and trichloroethanol from TCE. Each plant organ was independently capable of debromination of EDB. L. leucocephala is being used to treat perched groundwater as part of a remedial alternative to address an accidental EDB spill in Hawaii. Bromide levels of plant tissues from the trees grown in the phytoremediation treatment cells at the Hawaii Site were elevated, indicating uptake and degradation of brominated compounds in the trees. This report is the first evidence of a tropical tree effectively metabolizing these common organic pollutants.

  20. Emissions with butane/propane blends

    SciTech Connect

    1996-11-01

    This article reports on various aspects of exhaust emissions from a light-duty car converted to operate on liquefied petroleum gas and equipped with an electrically heated catalyst. Butane and butane/propane blends have recently received attention as potentially useful alternative fuels. Butane has a road octane number of 92, a high blending vapor pressure, and has been used to upgrade octane levels of gasoline blends and improve winter cold starts. Due to reformulated gasoline requirements for fuel vapor pressure, however, industry has had to remove increasing amounts of butane form the gasoline pool. Paradoxically, butane is one of the cleanest burning components of gasoline.

  1. Undetected Groundwater Contamination at Underground Storage Tank Sites by the Gasoline Lead Scavengers Ethylene Dibromide and 1,2-Dichloroethane

    NASA Astrophysics Data System (ADS)

    Falta, R. W.

    2004-05-01

    Ethylene dibromide (EDB) is a synthetic organic chemical that was produced in large amounts for use as a leaded gasoline additive and pesticide. The chlorinated solvent 1,2-dichlorethane (1,2-DCA) is widely used in the chemical industry, and was also added to leaded gasoline. EDB and 1,2-DCA are classified as probable human carcinogens by the United States Environmental Protection Agency (EPA), and EDB's use as a pesticide was suspended in 1984. The current EPA maximum contaminant level (MCL) for EDB in drinking water is 0.05 ug/l, and the MCL for 1,2-DCA is 5 ug/l. EDB has proven to be both mobile and persistent in groundwater, and contamination of groundwater by EDB was documented in several states beginning in the early 1980s. The majority of this contamination is attributed to agricultural uses of EDB, however approximately 90 percent of the EDB produced was used as a leaded gasoline additive, and it was present in virtually all leaded gasoline sold in the US. 1,2-DCA is commonly found as a groundwater contaminant, and it is both mobile and persistent. Past site investigations and remediation efforts at underground storage tank sites contaminated by leaded gasoline have rarely addressed the potential for EDB or 1,2-DCA contamination. However, the concentrations of EDB and 1,2-DCA in leaded gasoline were high enough to produce groundwater concentrations of thousands of ug/l. For this reason, there is a substantial likelihood that undetected EDB and 1,2-DCA plumes above the MCL may exist at many sites where leaded gasoline leaked or spilled. An initial review of field data from underground storage tank sites in two states suggests that this problem is widespread.

  2. Ethylene dibromide (EDB) trends in the upper Floridan Aquifer, Seminole County, Georgia, October 1981 to November 1987

    USGS Publications Warehouse

    McConnell, J.B.

    1988-01-01

    Results of an investigation to assess the persistence and trends of ethylene dibromide (EDB) in the Upper Floridan aquifer, in Georgia indicate that in November 1987, EDB was present in the groundwater 4 years after it was last applied as a soil fumigant in the intensively farmed area of central Seminole County. At that time, EDB was detected in water samples from one domestic well and four irrigation wells. Concentrations ranged from less than 0.01 micrograms/L to 3.3 micrograms/L. The investigation in November 1987 revealed the groundwater contamination was limited to the 4-sq-mi area in the vicinity of Buck Hole, a sinkhole in a swampy depression in the central part of the County. In three of the five wells in which EDB was detected, concentrations have not changed significantly since August 1983. However, in one irrigation well near Buck Hole, the concentration decreased from 110 to 0.7 microgram/L since October 1981. In another irrigation well near Buck Hole, the concentration decreased from 26 to about 2.5 microgram/L during that period. The groundwater level data indicate that from Buck Hole, the hydraulic gradient in the Upper Floridan aquifer is about 2.8 ft/mi toward the east. However, the movement of EDB from the area of relatively high concentration near Buck Hole in the direction of inferred flow lines is not apparent. Although concentration gradients were not detected along flow lines, the movement of water induced by pumping wells W4 and W5 produced short-term decreasing and increasing trends in EDB Concentrations in wells W4 and W5, respectively. (USGS)

  3. Study on propane-butane gas storage by hydrate technology

    NASA Astrophysics Data System (ADS)

    Hamidi, Nurkholis; Wijayanti, Widya; Widhiyanuriyawan, Denny

    2016-03-01

    Different technology has been applied to store and transport gas fuel. In this work the storage of gas mixture of propane-butane by hydrate technology was studied. The investigation was done on the effect of crystallizer rotation speed on the formation of propane-butane hydrate. The hydrates were formed using crystallizer with rotation speed of 100, 200, and 300 rpm. The formation of gas hydrates was done at initial pressure of 3 bar and temperature of 274K. The results indicated that the higher rotation speed was found to increase the formation rate of propane-butane hydrate and improve the hydrates stability.

  4. Temperature-dependent high resolution absorption cross sections of propane

    NASA Astrophysics Data System (ADS)

    Beale, Christopher A.; Hargreaves, Robert J.; Bernath, Peter F.

    2016-10-01

    High resolution (0.005 cm-1) absorption cross sections have been measured for pure propane (C3H8). These cross sections cover the 2550-3500 cm-1 region at five temperatures (from 296 to 700 K) and were measured using a Fourier transform spectrometer and a quartz cell heated by a tube furnace. Calibrations were made by comparison to the integrated cross sections of propane from the Pacific Northwest National Laboratory. These are the first high resolution absorption cross sections of propane for the 3 μm region at elevated temperatures. The cross sections provided may be used to monitor propane in combustion environments and in astronomical sources such as the auroral regions of Jupiter, brown dwarfs and exoplanets.

  5. 2. View of Liquified Propane Air Plant (New), former Exhaust ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    2. View of Liquified Propane Air Plant (New), former Exhaust and Compressor Building and former Purifying Plant in background. - Concord Gas Light Company, South Main Street, Concord, Merrimack County, NH

  6. An engineered pathway for the biosynthesis of renewable propane

    PubMed Central

    Kallio, Pauli; Pásztor, András; Thiel, Kati; Akhtar, M. Kalim; Jones, Patrik R.

    2014-01-01

    The deployment of next-generation renewable biofuels can be enhanced by improving their compatibility with the current infrastructure for transportation, storage and utilization. Propane, the bulk component of liquid petroleum gas, is an appealing target as it already has a global market. In addition, it is a gas under standard conditions, but can easily be liquefied. This allows the fuel to immediately separate from the biocatalytic process after synthesis, yet does not preclude energy-dense storage as a liquid. Here we report, for the first time, a synthetic metabolic pathway for producing renewable propane. The pathway is based on a thioesterase specific for butyryl-acyl carrier protein (ACP), which allows native fatty acid biosynthesis of the Escherichia coli host to be redirected towards a synthetic alkane pathway. Propane biosynthesis is markedly stimulated by the introduction of an electron-donating module, optimizing the balance of O2 supply and removal of native aldehyde reductases. PMID:25181600

  7. An engineered pathway for the biosynthesis of renewable propane.

    PubMed

    Kallio, Pauli; Pásztor, András; Thiel, Kati; Akhtar, M Kalim; Jones, Patrik R

    2014-01-01

    The deployment of next-generation renewable biofuels can be enhanced by improving their compatibility with the current infrastructure for transportation, storage and utilization. Propane, the bulk component of liquid petroleum gas, is an appealing target as it already has a global market. In addition, it is a gas under standard conditions, but can easily be liquefied. This allows the fuel to immediately separate from the biocatalytic process after synthesis, yet does not preclude energy-dense storage as a liquid. Here we report, for the first time, a synthetic metabolic pathway for producing renewable propane. The pathway is based on a thioesterase specific for butyryl-acyl carrier protein (ACP), which allows native fatty acid biosynthesis of the Escherichia coli host to be redirected towards a synthetic alkane pathway. Propane biosynthesis is markedly stimulated by the introduction of an electron-donating module, optimizing the balance of O2 supply and removal of native aldehyde reductases. PMID:25181600

  8. 40 CFR 1065.341 - CVS, PFD, and batch sampler verification (propane check).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... propane, such as CO2 or CO. A failed propane check might indicate one or more problems that may require...) Perform the propane check as follows: (1) For batch HC sampling, connect clean storage media, such as... background. (3) Calculate total C3H8 mass based on your CVS and HC data as described in § 1065.650 (40...

  9. Zeolitic imidazolate frameworks for kinetic separation of propane and propene

    DOEpatents

    Li, Jing; Li, Kunhao; Olson, David H.

    2014-08-05

    Zeolitic Imidazolate Frameworks (ZIFs) characterized by organic ligands consisting of imidazole ligands that are either essentially all 2-chloroimidazole ligands or essentially all 2-bromoimidazole ligands are disclosed. Methods for separating propane and propene with the ZIFs of the present invention, as well as other ZIFs, are also disclosed.

  10. 77 FR 2293 - AmeriGas Propane, L.P., AmeriGas Propane, Inc., Energy Transfer Partners, L.P., and Energy...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-01-17

    ...\\ The metal cylinders can hold approximately 25 pounds of propane, but for safety reasons, can only be..., either directly or indirectly: Cylinder preparation (including cleaning, rust removal, repainting...

  11. Processing of polyolefin blends in supercritical propane solution

    NASA Astrophysics Data System (ADS)

    Han, Suh Joon

    New polymer blending methods are developed and studied by processing polyolefins in supercritical propane in this research. Polypropylene and ethylene copolymers were dissolved in supercritical propane, and processed via various paths and reactions, i.e., RESS (rapid expansion of supercritical solution), ICSS (isobaric crystallization from supercritical solution), and thermoplastic vulcanizate (TPV) formation. Each process resulted in a unique morphology of polyolefin blends. The effect of polyolefin microstructure on the solution behavior in supercritical propane was investigated, and the relationship between the morphology of the polyolefin blends and processing paths in supercritical propane solutions was established. To understand the thermodynamic properties of polyolefins in bulk and solutions, the solubility parameter was estimated by measurement of the internal pressure from the experimental P-V-T data for polyolefins in the melt state. As the short chain branch content in the ethylene copolymers increased, the internal pressure decreased. The cloud-point pressures of binary polymer solutions in propane decreased as the extent of short chain branching increased in the ethylene copolymers. At the same degree of branching, the cloud-point pressure decreased slightly with increasing branch length. The cloud-point pressures of a ternary polymer solution in the pressure-temperature phase diagrams were higher than those of binary polymer solutions at the same composition (indicating poorer solubility). Microfibers and microparticles (10 ˜ 50 mum diameter) were precipitated from the RESS process while microcellular foams were obtained from the ICSS process. The phase domains of the ethylene-butene (EB) copolymer in the polypropylene from the RESS process were smaller for highly branched EB copolymer. The surface morphology of ethylene copolymers in the microcelluar foams was also changed by increasing the branch content from microparticles to a viscous layer. New

  12. Use of new field methods of semen analysis in the study of occupational hazards to reproduction: the example of ethylene dibromide

    SciTech Connect

    Schrader, S.M.; Ratcliffe, J.M.; Turner, T.W.; Hornung, R.W.

    1987-12-01

    Increasing attention has been paid to the use of semen analysis as an indicator of exposure to potential mutagenic and reproductive hazards. In the infertility clinic setting, semen evaluations include the measurement of sperm concentration, volume, pH, motility, velocity and morphology, the analysis of seminal plasma to evaluate accessory sex gland function and, in some cases, the in vitro evaluation of fertilization capacity and sperm-cervical mucus interaction. To date, however, the study of semen characteristics of occupationally exposed populations has been confined principally to the measurement of sperm concentration and sperm morphology. This has been largely due to the unavailability of portable equipment suitable for the measurement of other semen characteristics and the difficulty of obtaining fresh semen samples in the field setting. National Institute for Occupational Safety and Health researchers have developed mobile laboratory facilities which enable us to evaluate fresh samples, in the field, for semen characteristics in addition to concentration and morphology. This paper describes the application of these methods using the example of our recent cross-sectional study of workers occupationally exposed to ethylene dibromide in the papaya fumigation industry. We discuss our findings in the context of the usefulness of semen analysis as an indicator of occupational hazards to male reproduction.

  13. Gas Phase UTE MRI of Propane and Propene

    PubMed Central

    Kovtunov, Kirill V.; Romanov, Alexey S.; Salnikov, Oleg G.; Barskiy, Danila A.; Chekmenev, Eduard Y.; Koptyug, Igor V.

    2016-01-01

    1H MRI of gases can potentially enable functional lung imaging to probe gas ventilation and other functions. In this work, 1H MR images of hyperpolarized and thermally polarized propane gas were obtained using UTE (ultrashort echo time) pulse sequence. A 2D image of thermally polarized propane gas with ~0.9×0.9 mm2 spatial resolution was obtained in less than 2 seconds, demonstrating that even non-hyperpolarized hydrocarbon gases can be successfully utilized for conventional proton MRI. The experiments were also performed with hyperpolarized propane gas and demonstrated acquisition of high-resolution multi-slice FLASH 2D images in ca. 510 s and non slice-selective 2D UTE MRI images in ca. 2 s. The UTE approach adopted in this study can be potentially used for medical lung imaging. Furthermore, the possibility to combine UTE with selective suppression of 1H signals from one of the two gases in a mixture is demonstrated in this MRI study. The latter can be useful for visualizing industrially important processes where several gases may be present, e.g., gas-solid catalytic reactions. PMID:27478870

  14. Experimental study on transmission of an overdriven detonation wave from propane/oxygen to propane/air

    SciTech Connect

    Li, J.; Lai, W.H.; Chung, K.; Lu, F.K.

    2008-08-15

    Two sets of experiments were performed to achieve a strong overdriven state in a weaker mixture by propagating an overdriven detonation wave via a deflagration-to-detonation transition (DDT) process. First, preliminary experiments with a propane/oxygen mixture were used to evaluate the attenuation of the overdriven detonation wave in the DDT process. Next, experiments were performed wherein a propane/oxygen mixture was separated from a propane/air mixture by a thin diaphragm to observe the transmission of an overdriven detonation wave. Based on the characteristic relations, a simple wave intersection model was used to calculate the state of the transmitted detonation wave. The results showed that a rarefaction effect must be included to ensure that there is no overestimate of the post-transmission wave properties when the incident detonation wave is overdriven. The strength of the incident overdriven detonation wave plays an important role in the wave transmission process. The experimental results showed that a transmitted overdriven detonation wave occurs instantaneously with a strong incident overdriven detonation wave. The near-CJ state of the incident wave leads to a transmitted shock wave, and then the transition to the overdriven detonation wave occurs downstream. The attenuation process for the overdriven detonation wave decaying to a near-CJ state occurs in all tests. After the attenuation process, an unstable detonation wave was observed in most tests. This may be attributed to the increase in the cell width in the attenuation process that exceeds the detonability cell width limit. (author)

  15. Computational modeling of a direct propane fuel cell

    NASA Astrophysics Data System (ADS)

    Khakdaman, H.; Bourgault, Y.; Ternan, M.

    2011-03-01

    The first two dimensional mathematical model of a complete direct propane fuel cell (DPFC) is described. The governing equations were solved using FreeFem software that uses finite element methods. Robin boundary conditions were used to couple the anode, membrane, and cathode sub-domains successfully. The model showed that a polytetrafluoroethylene membrane having its pores filled with zirconium phosphate (ZrP-PTFE), in a DPFC at 150 °C performed much the same as other electrolytes; Nafion, aqueous H3PO4, and H2SO4 doped polybenzimidazole, when they were used in DPFCs. One advantage of a ZrP-PTFE at 150 °C is that it operates without liquid phase water. As a result corrosion will be much less severe and it may be possible for non-precious metal catalysts to be used. Computational results showed that the thickness of the catalyst layer could be increased sufficiently so that the pressure drop between the reactant and product channels of the interdigitated flow fields is small. By increasing the width of the land and therefore the reactant's contact time with the catalyst it was possible to approach 100% propane conversion. Therefore fuel cell operation with a minimum concentration of propane in the product stream should be possible. Finally computations of the electrical potential in the ZrP phase, the electron flux in the Pt/C phase, and the overpotential in both the anode and cathode catalyst layers showed that serious errors in the model occurred because proton diffusion, caused by the proton concentration gradient, was neglected in the equation for the conservation of protons.

  16. Supercritical convection, critical heat flux, and coking characteristics of propane

    NASA Technical Reports Server (NTRS)

    Rousar, D. C.; Gross, R. S.; Boyd, W. C.

    1984-01-01

    The heat transfer characteristics of propane at subcritical and supercritical pressure were experimentally evaluated using electrically heated Monel K-500 tubes. A design correlation for supercritical heat transfer coefficient was established using the approach previously applied to supercritical oxygen. Flow oscillations were observed and the onset of these oscillations at supercritical pressures was correlated with wall-to-bulk temperature ratio and velocity. The critical heat flux measured at subcritical pressure was correlated with the product of velocity and subcooling. Long duration tests at fixed heat flux conditions were conducted to evaluate coking on the coolant side tube wall and coking rates comparable to RP-1 were observed.

  17. Novel adsorption distillation hybrid scheme for propane/propylene separation

    SciTech Connect

    Kumar, R.; Golden, T.C.; White, T.R.; Rokicki, A. )

    1992-12-01

    A novel adsorption-distillation hybrid scheme is proposed for propane/propylene separation. The suggested scheme has potential for saving up to [approximately]50% energy and [approximately]15-30% in capital costs as compared with current technology. The key concept of the proposed scheme is to separate olefins from alkanes by adsorption and then separate individual olefins and alkanes by simple distillation, thereby eliminating energy intensive and expensive olefin-alkane distillation. A conceptual flow schematic for the proposed hybrid scheme and potential savings are outlined.s

  18. Comparing economic and environmental impacts of propane, CNG, methanol

    SciTech Connect

    Not Available

    1993-12-01

    How well does propane stack up as a motor fuel against CNG, methanol, ethanol, and gasoline This question has been addressed -- indirectly -- in various studies made by David Gushee over the period of time since the Congress first began seriously considering the advocacy of alternative fuels as a means of improving urban air quality, increasing energy security, reducing oil imports, increasing domestic content of transportation fuels, and reducing emissions of greenhouse gases. A brief overview of the comparative advantages and disadvantages of the various alternative motor fuels, with particular emphasis on propane, was presented by Gushee at the NPGA Governmental Affairs Conference in Washington, DC in October. Subsequently, at BPN's request, he supplied copies of the slides he showed on that occasion, together with copies of certain presentations he has made in the past based upon his studies. The following is a paraphrased and abridged rewrite -- in the interest of saving space -- of a presentation made by Gushee at a meeting of the National Conference of State Legislatures. In his address, Gushee analyzed the impacts of the various fuels on both the economics of transportation and the environment.

  19. 40 CFR 1065.341 - CVS and batch sampler verification (propane check).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... CO2 or CO. A failed propane check might indicate one or more problems that may require corrective...) Perform the propane check as follows: (1) For batch HC sampling, connect clean storage media, such as... batch sampler's storage media (such as a PM filter). If the absolute pressure at this location is...

  20. 40 CFR 1065.341 - CVS and batch sampler verification (propane check).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 34 2013-07-01 2013-07-01 false CVS and batch sampler verification... Measurements § 1065.341 CVS and batch sampler verification (propane check). (a) A propane check serves as a CVS... also serves as a batch-sampler verification to determine if there is a discrepancy in a batch...

  1. Reaction network and kinetics of propane oxydehydrogenation over nickel cobalt molybdate

    SciTech Connect

    Stern, D.L.; Grasselli, R.K.

    1997-04-15

    Reaction kinetics and a proposed mechanism for the oxydehydrogenation of propane over Ni{sub 0.5}Co{sub 0.5}MoO{sub 4}/SiO{sub 2} are described. The reaction pathway proceeds by propane oxydehydrogenation yielding propylene as the exclusive primary product. The propylene thus formed oxidizes further primarily to acrolein, which oxides still further to waste products CO and CO{sub 2}, and acrylic acid. The relative rate of acrolein formation from propylene is 3.5 times that of propylene formation from propane, the rate of CO{sub 2}, formation from acrolein is 13 times that of acrolein formation from propylene, and the rate of CO{sub 2}, formation from acrolein is 46 times that of propylene formation from propane. Kinetic isolation of intermediates is therefore imperative for the recovery of practical amounts of useful products, and might be achievable through dioxygen limitation in the feed or utilization of cocatalysts to produce more stable intermediates. The selective oxidation of propane to propylene and propylene to acrolein are both zero order in oxygen and first order in hydrocarbon (propane and propylene, respectively). Deep oxidation of propane (to CO and CO{sub 2}) is half order in oxygen and first order in propane, while deep oxidation of propylene exhibits Langmuir type dependence on hydrocarbon and is half order in oxygen. 17 refs., 7 figs.

  2. 40 CFR 721.533 - Propane, 1,1,1,3,3-pentachloro-.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.533 Propane, 1,1,1,3,3-pentachloro-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as propane, 1,1,1,3,3-pentachloro- (PMN...

  3. 40 CFR 721.533 - Propane, 1,1,1,3,3-pentachloro-.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.533 Propane, 1,1,1,3,3-pentachloro-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as propane, 1,1,1,3,3-pentachloro- (PMN...

  4. Availability of Canadian imports to meet U.S. demand for ethane, propane and butane

    SciTech Connect

    Hawkins, D.J.

    1996-12-31

    Historically, Canada has had a surplus of ethane, propane and butane. Almost all of the available propane and butane in Canadian natural gas streams is recovered. While there is significant ethane recovery in Canada, ethane that cannot be economically sold is left in the gas streams. All of the surplus Canadian ethane and most of the Canadian surplus propane and butane is exported to the US. Some volumes of Canadian propane and butane have been moved offshore by marine exports to the Asia-Pacific region or South America, or directly to Mexico by rail. Essentially all of the Canadian ethane, 86% of the propane and 74% of the butane are recovered by gas processing. Canadian natural gas production has increased significantly over the last 10 years. Canadian gas resources in the Western Canadian Sedimentary Basin should permit further expansion of gas exports, and several gas pipeline projects are pending to expand the markets for Canadian gas in the US. The prospective increase in Canadian gas production will yield higher volumes of ethane, propane and butane. While there is a potential to expand domestic markets for ethane, propane and butane, a significant part of the incremental production will move to export markets. This paper provides a forecast of the expected level of ethane, propane and butane exports from Canada and discusses the supply, demand and logistical developments which may affect export availability from Canada.

  5. beta-Adrenergic blocking agents. 18. 1-(Aryloxy)-3-(arylthioalkylamino)propan-2-ols and 1-substituted alkylthioamino-3-(aryloxy)propan-2-ols.

    PubMed

    Tucker, H; Coope, J F

    1978-08-01

    The synthesis is described of a seris of derivaties of 1-(aryloxy)-3-(arylthioalkylamiho)propan-2-ols and 1-(alkylthioamino)- and 1-(aralkylamino)-3-(aryloxy)propan-2-ols. These compounds were investigated for their beta-adrenoreceptor blocking properties and their selectivity of action for the cardiac beta1 receptor. The structure-activity relationships are discussed with particular reference to the effects of the sulfur, sulfoxide, and sulfone groups on beta-adrenoreceptor blocking potency and selectivity.

  6. Freon or propane: new design methods give a choice for small gas-processing plants

    SciTech Connect

    Love, D.L.

    1986-03-10

    Propane, and sometimes ammonia, have been the major refrigerants considered for refrigeration in liquid extraction plants. Freon was considered only for automotive and building air conditioning. With modular plants on skids becoming more popular for small volume applications, less-expensive equipment approaches are required to economically justify these small projects. Commercial and residential design methods can be used for refrigerated liquid extraction. They can significantly reduce the cost, compared to propane, for small volume applications. Although it appears to be a simple substitution of freon for propane, there are many complications in using freon. They include major changes in materials, and in chiller and compressor design. Love Process Engineering Inc. (LPE) has conducted extensive research on freon and propane plants for modular applications. This article will not discuss detailed design requirements, but compare freon and propane in the initial selection of project development for small volume applications.

  7. An analysis of US propane markets, winter 1996-1997

    SciTech Connect

    1997-06-01

    In late summer 1996, in response to relatively low inventory levels and tight world oil markets, prices for crude oil, natural gas, and products derived from both began to increase rapidly ahead of the winter heating season. Various government and private sector forecasts indicated the potential for supply shortfalls and sharp price increases, especially in the event of unusually severe winter weather. Following a rapid runup in gasoline prices in the spring of 1996, public concerns were mounting about a possibly similar situation in heating fuels, with potentially more serious consequences. In response to these concerns, the Energy Information Administration (EIA) participated in numerous briefings and meetings with Executive Branch officials, Congressional committee members and staff, State Energy Offices, and consumers. EIA instituted a coordinated series of actions to closely monitor the situation and inform the public. This study constitutes one of those actions: an examination of propane supply, demand, and price developments and trends.

  8. The oxidative dehydrogenation of propane on molybdenum based catalysts

    SciTech Connect

    Meunier, F.C.; Yasmeen, A.; Ross, J.R.H.

    1996-10-01

    In the past few years, there has been much interest in the selective oxidation of light hydrocarbons, either as an industrial or academic matter. One of these reactions, the propane dehydrogenation to propene, has been carried out the most successfully on vanadia supported on magnesia or niobia. As a high selectivity of niobia supported molybdena was also observed, molybdenum based catalysts have been studied, in an attempt to improve their activities. A number of possible supports were tested. Among these, titania and alumina gave the most selective catalysts at iso-conversion, providing there was a sufficient molybdena loading. In addition to propene and carbon oxides, several oxygenated compounds were observed. Additions of vanadium and niobium to the titania supported molybdena gave an improvement in the catalytic activity. The same conversion and selectivity were obtained at a temperature up to 100K lower.

  9. Chemical kinetic reaction mechanism for the combustion of propane

    NASA Technical Reports Server (NTRS)

    Jachimowski, C. J.

    1984-01-01

    A detailed chemical kinetic reaction mechanism for the combustion of propane is presented and discussed. The mechanism consists of 27 chemical species and 83 elementary chemical reactions. Ignition and combustion data as determined in shock tube studies were used to evaluate the mechanism. Numerical simulation of the shock tube experiments showed that the kinetic behavior predicted by the mechanism for stoichiometric mixtures is in good agrement with the experimental results over the entire temperature range examined (1150-2600K). Sensitivity and theoretical studies carried out using the mechanism revealed that hydrocarbon reactions which are involved in the formation of the HO2 radical and the H2O2 molecule are very important in the mechanism and that the observed nonlinear behavior of ignition delay time with decreasing temperature can be interpreted in terms of the increased importance of the HO2 and H2O2 reactions at the lower temperatures.

  10. Propane spectral resolution enhancement by the maximum entropy method

    NASA Technical Reports Server (NTRS)

    Bonavito, N. L.; Stewart, K. P.; Hurley, E. J.; Yeh, K. C.; Inguva, R.

    1990-01-01

    The Burg algorithm for maximum entropy power spectral density estimation is applied to a time series of data obtained from a Michelson interferometer and compared with a standard FFT estimate for resolution capability. The propane transmittance spectrum was estimated by use of the FFT with a 2 to the 18th data sample interferogram, giving a maximum unapodized resolution of 0.06/cm. This estimate was then interpolated by zero filling an additional 2 to the 18th points, and the final resolution was taken to be 0.06/cm. Comparison of the maximum entropy method (MEM) estimate with the FFT was made over a 45/cm region of the spectrum for several increasing record lengths of interferogram data beginning at 2 to the 10th. It is found that over this region the MEM estimate with 2 to the 16th data samples is in close agreement with the FFT estimate using 2 to the 18th samples.

  11. Exhaust gas measurements in a propane fueled swirl stabilized combustor

    NASA Technical Reports Server (NTRS)

    Aanad, M. S.

    1982-01-01

    Exhaust gas temperature, velocity, and composition are measured and combustor efficiencies are calculated in a lean premixed swirl stabilized laboratory combustor. The radial profiles of the data between the co- and the counter swirl cases show significant differences. Co-swirl cases show evidence of poor turbulent mixing across the combustor in comparison to the counter-swirl cases. NO sub x levels are low in the combustor but substantial amounts of CO are present. Combustion efficiencies are low and surprisingly constant with varying outer swirl in contradiction to previous results under a slightly different inner swirl condition. This difference in the efficiency trends is expected to be a result of the high sensitivity of the combustor to changes in the inner swirl. Combustor operation is found to be the same for propane and methane fuels. A mechanism is proposed to explain the combustor operation and a few important characteristics determining combustor efficiency are identified.

  12. Effect of hydrogen injection stability and emissions of an experimental premixed prevaporized propane burner

    NASA Technical Reports Server (NTRS)

    Anderson, D. N.

    1975-01-01

    Hydrogen in quantities up to 5 percent by weight of the total fuel flow was injected into a premixed propane burner. The hydrogen was either premixed with the propane and air upstream of the burner or introduced as a torch at the flameholder. Emissions of total nitrogen oxides, carbon monoxide, and unburned hydrocarbon are reported as are combustion efficiencies and lean blowout limits. To maintain at least 99 percent combustion efficiency at a 700 K inlet mixture temperature with no hydrogen added, it was necessary to burn with a propane equivalence ratio of 0.525. When 4 percent hydrogen was premixed with the propane and air, a combustion efficiency greater than 99 percent was recorded at a propane equivalence ratio of 0.425. The total nitrogen oxides (NOx) emissions corresponding to these two conditions were 0.8 g NO2/kg equivalent propane and 0.44 g NO2/kg equivalent propane, respectively. The hydrogen torch did not reduce NOx emissions.

  13. Effect of temperature and pressure on the dynamics of nanoconfined propane

    SciTech Connect

    Gautam, Siddharth Liu, Tingting Welch, Susan; Cole, David; Rother, Gernot; Jalarvo, Niina; Mamontov, Eugene

    2014-04-24

    We report the effect of temperature and pressure on the dynamical properties of propane confined in nanoporous silica aerogel studied using quasielastic neutron scattering (QENS). Our results demonstrate that the effect of a change in the pressure dominates over the effect of temperature variation on the dynamics of propane nano-confined in silica aerogel. At low pressures, most of the propane molecules are strongly bound to the pore walls, only a small fraction is mobile. As the pressure is increased, the fraction of mobile molecules increases. A change in the mechanism of motion, from continuous diffusion at low pressures to jump diffusion at higher pressures has also been observed.

  14. Variation of the pressure limits of flame propagation with tube diameter for propane-air mixtures

    NASA Technical Reports Server (NTRS)

    Belles, Frank E; Simon, Dorothy M

    1951-01-01

    An investigation was made of the variation of the pressure limits of flame propagation with tube diameter for quiescent propane with tube diameter for quiescent propane-air mixtures. Pressure limits were measured in glass tubes of six different inside diameters, with a precise apparatus. Critical diameters for flame propagation were calculated and the effect of pressure was determined. The critical diameters depended on the pressure to the -0.97 power for stoichiometric mixtures. The pressure dependence decreased with decreasing propane concentration. Critical diameters were related to quenching distance, flame speeds, and minimum ignition energy.

  15. State heating oil and propane program: Final report. Survey of No.2 heating oil and propane prices at the retail level, October 1997 through March 1998

    SciTech Connect

    1998-11-01

    The Energy Efficiency Division of the Vermont Department of Public Service (DPS) monitored the price and inventory of residential heating oil and propane during the 1997--98 heating season under a grant from the US Department of Energy`s Energy Information Administration (EIA). DPS staff collected data biweekly between October 5, 1997 and March 16, 1998 on the retail price of {number_sign}2 home heating oil and propane by telephone survey. Propane price quoted was based on the rate for a residential home heating customer using 1,000+ per year. The survey included a sample of fuel dealers selected by the EIA, plus additional dealers and fuels selected by the DPS. The EIA weighted, analyzed, and reported the data collected from their sample.

  16. School Districts Move to the Head of the Class with Propane

    SciTech Connect

    2016-01-01

    Propane has been a proven fuel for buses for decades. For the first time in 2007, Blue Bird rolled out a propane school bus using direct liquid injection, which was later followed by Thomas Built Buses and Navistar. Because this new technology is much more reliable than previous designs, it is essentially reintroducing propane buses to many school districts. During this same time period, vehicle emissions standards have tightened. To meet them, diesel engine manufacturers have added diesel particulate filters (DPF) and, more recently, selective catalytic reduction (SCR) systems. As an alternative to diesel buses with these systems, many school districts have looked to other affordable, clean alternatives, and they've found that propane fits the bill.

  17. PHYSICAL PROPERTIES OF FLUORINATED PROPANE AND BUTANE DERIVATIVES AS ALTERNATIVE REFRIGERANTS

    EPA Science Inventory

    Physical property measurements are presented for 24 fluorinated propane and butane derivatives and one fluorinated ether. These measurements include melting point, boiling point, vapor pressure below the boiling point, heat of vaporization at the boiling point, critical propertie...

  18. Effect of preprocessing and compressed propane extraction on quality of cilantro (Coriandrum sativum L.).

    PubMed

    Sekhon, Jasreen K; Maness, Niels O; Jones, Carol L

    2015-05-15

    Dehydration leads to quality defects in cilantro such as loss in structure, color, aroma and flavor. Solvent extraction with compressed propane may improve the dehydrated quality. In the present study, effect of drying temperature, particle size, and propane extraction on color, volatile composition, and fatty acid composition of cilantro was evaluated. Cilantro was dehydrated (40°C or 60°C), size reduced and separated into three particles sizes, and extracted with compressed propane at 21-27°C. Major volatile compounds found in dried cilantro were E-2-tetradecenal, dodecanal, E-2-dodecenal, and tetradecanal. Major fatty acids were linoleic acid and α-linolenic acid. Drying at 60°C compared to 40°C resulted in better preservation of color (decrease in browning index values) and volatile compounds. Propane extraction led to a positive change in color values and a decrease in volatile composition, oil content, and fatty acid composition.

  19. Effect of preprocessing and compressed propane extraction on quality of cilantro (Coriandrum sativum L.).

    PubMed

    Sekhon, Jasreen K; Maness, Niels O; Jones, Carol L

    2015-05-15

    Dehydration leads to quality defects in cilantro such as loss in structure, color, aroma and flavor. Solvent extraction with compressed propane may improve the dehydrated quality. In the present study, effect of drying temperature, particle size, and propane extraction on color, volatile composition, and fatty acid composition of cilantro was evaluated. Cilantro was dehydrated (40°C or 60°C), size reduced and separated into three particles sizes, and extracted with compressed propane at 21-27°C. Major volatile compounds found in dried cilantro were E-2-tetradecenal, dodecanal, E-2-dodecenal, and tetradecanal. Major fatty acids were linoleic acid and α-linolenic acid. Drying at 60°C compared to 40°C resulted in better preservation of color (decrease in browning index values) and volatile compounds. Propane extraction led to a positive change in color values and a decrease in volatile composition, oil content, and fatty acid composition. PMID:25577087

  20. Short-Term Energy Outlook Model Documentation: Regional Residential Propane Price Model

    EIA Publications

    2009-01-01

    The regional residential propane price module of the Short-Term Energy Outlook (STEO) model is designed to provide residential retail price forecasts for the 4 Census regions: Northeast, South, Midwest, and West.

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

    PubMed

    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

  2. Measurement of position-specific 13C isotopic composition of propane at the nanomole level

    NASA Astrophysics Data System (ADS)

    Gilbert, Alexis; Yamada, Keita; Suda, Konomi; Ueno, Yuichiro; Yoshida, Naohiro

    2016-03-01

    We have developed a novel method for analyzing intramolecular carbon isotopic distribution of propane as a potential new tracer of its origin. The method is based on on-line pyrolysis of propane followed by analysis of carbon isotope ratios of the pyrolytic products methane, ethylene and ethane. Using propane samples spiked with 13C at the terminal methyl carbon, we characterize the origin of the pyrolytic fragments. We show that the exchange between C-atoms during the pyrolytic process is negligible, and thus that relative intramolecular isotope composition can be calculated. Preliminary data from 3 samples show that site-preference (SP) values, defined as the difference of δ13C values between terminal and sub-terminal C-atom positions of propane, range from -1.8‰ to -12.9‰. In addition, SP value obtained using our method for a thermogenic natural gas sample is consistent with that expected from theoretical models of thermal cracking, suggesting that the isotope fractionation associated with propane pyrolysis is negligible. The method will provide novel insights into the characterization of the origin of propane and will help better understand the biogeochemistry of natural gas deposits.

  3. Preparation of platinum nanoparticle catalyst for propane dehydrogenation.

    PubMed

    Li, Jun; Wang, Jun; Ma, Zhanhua; Sun, Lanyi; Hu, Yangdong

    2014-09-01

    Supported Pt nanoparticle catalysts were prepared by combing a chemical reduction method with an ultrasonic sonication loading method. Several techniques including transmission electron microscopy (TEM), nitrogen sorption technique and pyridine adsorption Fourier-transform infrared (Py-IR) were applied to characterize the physicochemical properties of these catalysts. The catalytic performance of catalysts was evaluated in the dehydrogenation of propane. The influence of the preparation method of Pt nanoparticles, the ratio of Polyvinyl Pyrrolidone (PVP) to Pt, loading method and different supports on the catalytic performance was investigated. PVP is useful for controlling the size of Pt nanoparticles and a PVP/Pt ratio of 15 is favorable to achieve a good catalytic performance. NaBH4 reduction is better than ethanol refluxing in preparing Pt nanoparticles. The ultrasonic sonication is effective to load the Pt nanoparticles onto the support channels. The mesoporous alumina proved to be a good catalyst support due to its high surface area and unique pore structure. PMID:25924358

  4. Study of the Low Temperature Oxidation of Propane

    PubMed Central

    Cord, Maximilien; Husson, Benoit; Huerta, Juan Carlos Lizardo; Herbinet, Olivier; Glaude, Pierre-Alexandre; Fournet, René; Sirjean, Baptiste; Battin-Leclerc, Frédérique; Ruiz-Lopez, Manuel; Wang, Zhandong; Xie, Mingfeng; Cheng, Zhanjun; Qi, Fei

    2013-01-01

    The low-temperature oxidation of propane was investigated using a jet-stirred reactor at atmospheric pressure and two methods of analysis: gas chromatography and synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS) with direct sampling through a molecular jet. The second method allowed the identification of products, such as molecules with hydroperoxy functions, which are not stable enough to be detected by gas chromatography. Mole fractions of the reactants and reaction products were measured as a function of the temperature (530-730 K), with a particular attention to reaction products involved in the low temperature oxidation, such as cyclic ethers, aldehydes, alcohols, ketones, and hydroperoxides. A new model has been obtained from an automatically generated one, which was used as a starting point, with a large number of re-estimated thermochemical and kinetic data. The kinetic data of the most sensitive reactions, i.e., isomerizations of alkylperoxy radicals and the subsequent decompositions, have been calculated at the CBS-QB3 level of theory. The model allows a satisfactory prediction of the experimental data. A flow rate analysis has allowed highlighting the important reaction channels. PMID:23181456

  5. Assessment of the risk of transporting propane by truck and train

    SciTech Connect

    Geffen, C.A.

    1980-03-01

    The risk of shipping propane is discussed and the risk assessment methodology is summarized. The risk assessment model has been constructed as a series of separate analysis steps to allow the risk to be readily reevaluated as additional data becomes available or as postulated system characteristics change. The transportation system and accident environment, the responses of the shipping system to forces in transportation accidents, and release sequences are evaluated to determine both the likelihood and possible consequences of a release. Supportive data and analyses are given in the appendices. The risk assessment results are related to the year 1985 to allow a comparison with other reports in this series. Based on the information presented, accidents involving tank truck shipments of propane will be expected to occur at a rate of 320 every year; accidents involving bobtails would be expected at a rate of 250 every year. Train accidents involving propane shipments would be expected to occur at a rate of about 60 every year. A release of any amount of material from propane trucks, under both normal transportation and transport accident conditions, is to be expected at a rate of about 110 per year. Releases from propane rail tank cars would occur about 40 times a year. However, only those releases that occur during a transportation accident or involve a major tank defect will include sufficient propane to present the potential for danger to the public. These significant releases can be expected at the lower rate of about fourteen events per year for truck transport and about one event every two years for rail tank car transport. The estimated number of public fatalities resulting from these significant releases in 1985 is fifteen. About eleven fatalities per year result from tank truck operation, and approximately half a death per year stems from the movement of propane in rail tank cars.

  6. Heteroepitaxially grown zeolitic imidazolate framework membranes with unprecedented propylene/propane separation performances.

    PubMed

    Kwon, Hyuk Taek; Jeong, Hae-Kwon; Lee, Albert S; An, He Seong; Lee, Jong Suk

    2015-09-30

    Propylene/propane separation is one of the most challenging separations, currently achieved by energy-intensive cryogenic distillation. Despite the great potential for energy-efficient membrane-based separations, no commercial membranes are currently available due to the limitations of current polymeric materials. Zeolitic imidazolate framework, ZIF-8, with the effective aperture size of ∼4.0 Å, has been shown to be very promising for propylene/propane separation. Despite the extensive research on ZIF-8 membranes, only a few reported ZIF-8 membranes have displayed good propylene/propane separation performances presumably due to the challenges of controlling the microstructures of polycrystalline membranes. Here we report the first well-intergrown membranes of ZIF-67 (Co-substituted ZIF-8) by heteroepitaxially growing ZIF-67 on ZIF-8 seed layers. The ZIF-67 membranes exhibited impressively high propylene/propane separation capabilities. Furthermore, when a tertiary growth of ZIF-8 layers was applied to heteroepitaxially grown ZIF-67 membranes, the membranes exhibited unprecedentedly high propylene/propane separation factors of ∼200 possibly due to enhanced grain boundary structure. PMID:26364888

  7. No. 2 heating oil/propane program 1994--1995. Final report

    SciTech Connect

    McBrien, J.

    1995-05-01

    During the 1994--95 heating season, the Massachusetts Division of Energy Resources (DOER) participated in a joint data collection program between several state energy offices and the federal Department of Energy`s (DOE) Energy Information Administration (EIA). The purpose of the program was to collect and monitor retail and wholesale heating oil and propane prices and inventories from October 1994 through March 1995. This program augmented the existing Massachusetts data collection system and served several important functions. The information helped the federal and state governments respond to consumer, congressional and media inquiries regarding No. 2 oil and propane. The information also provided policy decision-makers with timely, accurate and consistent data to monitor current heating oil and propane markets and develop appropriate state responses when necessary. In addition, the communication network between states and the DOE was strengthened through this program. This final report begins with an overview of the unique events that had an impact on the petroleum markets prior to and during the reporting period. Next, the report summarizes the results from residential heating oil and propane price surveys conducted by DOER over the 1994--95 heating season. The report also incorporates the wholesale heating oil and propane prices and inventories collected by EIA and distributed to the states. Finally, the report outlines DOER`s use of the data.

  8. State Heating Oil & Propane Program. Final report 1997/98 heating season

    SciTech Connect

    Hunton, G.

    1998-06-01

    The following is a summary report of the New Hampshire Governor`s Office of Energy and Community Services (ECS) participation in the State Heating Oil and Propane Program (SHOPP) for the 1997/98 heating season. SHOPP is a cooperative effort, linking energy offices in East Coast and Midwest states, with the Department of Energy (DOE), Energy Information Administration (EIA) for the purpose of collecting retail price data for heating oil and propane. The program is funded by the participating state with a matching grant from DOE. SHOPP was initiated in response to congressional inquires into supply difficulties and price spikes of heating oil and propane associated with the winter of 1989/90. This is important to New Hampshire because heating oil controls over 55% of the residential heating market statewide. Propane controls 10% of the heating market statewide and is widely used for water heating and cooking in areas of the state where natural gas is not available. Lower installation cost, convenience, lower operating costs compared to electricity, and its perception as a clean heating fuel have all worked to increase the popularity of propane in New Hampshire and should continue to do so in the future. Any disruption in supply of these heating fuels to New Hampshire could cause prices to skyrocket and leave many residents in the cold.

  9. Extraction of Lutein Diesters from Tagetes Erecta using Supercritical CO2 and Liquid Propane.

    PubMed

    Skerget, Mojca; Bezjak, Miran; Makovšek, Katja; Knez, Zeljko

    2010-03-01

    The efficiency of high pressure extraction of lutein diesters from marigold (Tagetes erecta) flower petals has been investigated. The solvents used for extraction were supercritical carbon dioxide and liquid propane. Operating parameters were 300 bar and 40, 60 and 80 °C for CO2 and 100, 150, 200 bar and 40 and 60 °C for propane, respectively. The influence of process parameters on the total yield of extraction and content of lutein diesters in the extracts was investigated. The results show, that solvent power of propane for lutein diesters is approximately 3.5 times higher than of CO2. The calculation procedure based on the Fick's second law was applied to determine the diffusivities of lutein diesters during extraction from marigold flower petals for both extraction stages: a constant rate stage followed by a stage of decreasing rate. The mathematical model based on the Fick's second law well described the experimental extraction results.

  10. No. 2 heating oil/propane program. Final report, 1990/91

    SciTech Connect

    McBrien, J.

    1991-06-01

    During the 1990/91 heating season, the Massachusetts Division of Energy Resources (DOER) participated in a joint data collection program between several state energy offices and the federal Department of Energy`s (DOE) Energy Information Administration (EIA). The purpose of the program was to collect and monitor retail and wholesale heating oil and propane prices and inventories from October 1990 through March 1991. This final report begins with an overview of the unique events which had an impact on the reporting period. Next, the report summarizes the results from the residential heating oil and propane price surveys conducted by DOER over the 1990/91 heating season. The report also incorporates the wholesale heating oil and propane prices and inventories collected by the EIA and distributed to the states.

  11. Number 2 heating oil/propane program. Final report, 1991/92

    SciTech Connect

    McBrien, J.

    1992-06-01

    During the 1991--92 heating season, the Massachusetts Division of Energy Resources (DOER) participated in a joint data collection program between several state energy offices and the federal Department of Energy`s (DOE) Energy Information Administration (EIA). The purpose of the program was to collect and monitor retail and wholesale heating oil and propane prices and inventories from October, 1991 through March, 1992. This final report begins with an overview of the unique events which had an impact on the reporting period. Next, the report summarizes the results from the residential heating oil and propane price surveys conducted by DOER over the 1991--1992 heating season. The report also incorporates the wholesale heating oil and propane prices and inventories collected by the EIA and distributed to the states. Finally, the report outlines DOER`s use of the data and responses to the events which unfolded during the 1991--1992 heating season.

  12. Design and Operation of the Synthesis Gas Generator System for Reformed Propane and Glycerin Combustion

    NASA Astrophysics Data System (ADS)

    Pickett, Derek Kyle

    Due to an increased interest in sustainable energy, biodiesel has become much more widely used in the last several years. Glycerin, one major waste component in biodiesel production, can be converted into a hydrogen rich synthesis gas to be used in an engine generator to recover energy from the biodiesel production process. This thesis contains information detailing the production, testing, and analysis of a unique synthesis generator rig at the University of Kansas. Chapter 2 gives a complete background of all major components, as well as how they are operated. In addition to component descriptions, methods for operating the system on pure propane, reformed propane, reformed glycerin along with the methodology of data acquisition is described. This chapter will serve as a complete operating manual for future students to continue research on the project. Chapter 3 details the literature review that was completed to better understand fuel reforming of propane and glycerin. This chapter also describes the numerical model produced to estimate the species produced during reformation activities. The model was applied to propane reformation in a proof of concept and calibration test before moving to glycerin reformation and its subsequent combustion. Chapter 4 first describes the efforts to apply the numerical model to glycerin using the calibration tools from propane reformation. It then discusses catalytic material preparation and glycerin reformation tests. Gas chromatography analysis of the reformer effluent was completed to compare to theoretical values from the numerical model. Finally, combustion of reformed glycerin was completed for power generation. Tests were completed to compare emissions from syngas combustion and propane combustion.

  13. 41 CFR 102-74.280 - Are privately owned vehicles converted for propane carburetion permitted in underground parking...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... vehicles converted for propane carburetion permitted in underground parking facilities? 102-74.280 Section... Facilities § 102-74.280 Are privately owned vehicles converted for propane carburetion permitted in underground parking facilities? Federal agencies must not permit privately owned vehicles converted...

  14. 40 CFR 1065.341 - CVS and batch sampler verification (propane check).

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... CO2 or CO. A failed propane check might indicate one or more problems that may require corrective... batch HC sampling, connect clean storage media, such as evacuated bags. (2) Operate HC measurement... sample near the location of the batch sampler's storage media (such as a PM filter). If the...

  15. 40 CFR 1065.341 - CVS and batch sampler verification (propane check).

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... CO2 or CO. A failed propane check might indicate one or more problems that may require corrective... batch HC sampling, connect clean storage media, such as evacuated bags. (2) Operate HC measurement... sample near the location of the batch sampler's storage media (such as a PM filter). If the...

  16. Analysis of U.S. Propane Markets Winter 1996-97, An

    EIA Publications

    1997-01-01

    This study constitutes an examination of propane supply, demand, and price developments and trends. The Energy Information Administration's approach focused on identifying the underlying reasons for the tight supply/demand balance in the fall of 1996, and on examining the potential for a recurrence of these events next year.

  17. Site-dependent catalytic activity of graphene oxides towards oxidative dehydrogenation of propane.

    PubMed

    Tang, Shaobin; Cao, Zexing

    2012-12-28

    Graphene oxides (GOs) may offer extraordinary potential in the design of novel catalytic systems due to the presence of various oxygen functional groups and their unique electronic and structural properties. Using first-principles calculations, we explore the plausible mechanisms for the oxidative dehydrogenation (ODH) of propane to propene by GOs and the diffusion of the surface oxygen-containing groups under an external electric field. The present results show that GOs with modified oxygen-containing groups may afford high catalytic activity for the ODH of propane to propene. The presence of hydroxyl groups around the active sites provided by epoxides can remarkably enhance the C-H bond activation of propane and the activity enhancement exhibits strong site dependence. The sites of oxygen functional groups on the GO surface can be easily tuned by the diffusion of these groups under an external electric field, which increases the reactivity of GOs towards ODH of propane. The chemically modified GOs are thus quite promising in the design of metal-free catalysis. PMID:22801590

  18. Propane and butane emission sources to ambient air of Mexico City metropolitan area.

    PubMed

    Jaimes, L; Sandoval, J

    2002-04-22

    Samples of volatile organic compounds (VOCs) were collected in a smog chamber in order to determine whether automotive exhausts or LP Gas emissions play a greater role in the source of propane and butane, which affect ozone formation and other pollutants in the ambient air of the Mexico City metropolitan area (MCMA). These samples were collected in April 1995 during mornings and evenings. The testing methodology used for measuring exhaust emission were FTP or EPA-74 tests, and SHED type tests were also conducted in order to evaluate evaporative emissions. The finding from analysis of the VOCs collected in the morning demonstrate that in the atmosphere, propane concentrations are higher than that of butane but the reverse in evaporative and exhaust emissions, with the concentration of propane lower than that of butane. Our conclusion is that most of C3 and C4 in the ambient air comes from LP gas and not vehicle exhaust or evaporative emission, due to the higher levels of propane than butane in its formulation. The analysis of VOCs also indicates that although the conversion (in the smog chamber) of alkanes is low during the day, due to the high initial concentration, their contribution in the reaction mechanism to produce ozone can be appreciable.

  19. 40 CFR 721.10360 - 1-Substituted propane, 3-(triethoxysilyl)-, reaction products with polyethylene glycol mono...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...-(triethoxysilyl)-, reaction products with polyethylene glycol mono-(branched tridecyl) ether (generic). 721.10360... Substances § 721.10360 1-Substituted propane, 3-(triethoxysilyl)-, reaction products with polyethylene glycol...)-, reaction products with polyethylene glycol mono-(branched tridecyl) ether (PMN P-09-628) is subject...

  20. 40 CFR 721.10360 - 1-Substituted propane, 3-(triethoxysilyl)-, reaction products with polyethylene glycol mono...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...-(triethoxysilyl)-, reaction products with polyethylene glycol mono-(branched tridecyl) ether (generic). 721.10360... Substances § 721.10360 1-Substituted propane, 3-(triethoxysilyl)-, reaction products with polyethylene glycol...)-, reaction products with polyethylene glycol mono-(branched tridecyl) ether (PMN P-09-628) is subject...

  1. 40 CFR 721.10360 - 1-Substituted propane, 3-(triethoxysilyl)-, reaction products with polyethylene glycol mono...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...-(triethoxysilyl)-, reaction products with polyethylene glycol mono-(branched tridecyl) ether (generic). 721.10360... Substances § 721.10360 1-Substituted propane, 3-(triethoxysilyl)-, reaction products with polyethylene glycol...)-, reaction products with polyethylene glycol mono-(branched tridecyl) ether (PMN P-09-628) is subject...

  2. Evaluation of propane combustion traps for collection of Phlebotomus papatasi (Scopoli) in southern Israel.

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Traps used for mosquitoes can possibly used to capture phlebotomine sand flies as well, but little testing has been done. Traps powered by propane could be extremely useful because most produce their own carbon dioxide (CO2), which can increase the number of sand flies captured. Scientists at the US...

  3. Surface Termination of M1 Phase and Rational Design of Propane Ammoxidation Catalysts

    SciTech Connect

    Guliants, Vadim

    2015-02-16

    This final report describes major accomplishments in this research project which has demonstrated that the M1 phase is the only crystalline phase required for propane ammoxidation to acrylonitrile and that a surface monolayer terminating the ab planes of the M1 phase is responsible for their activity and selectivity in this reaction. Fundamental studies of the topmost surface chemistry and mechanism of propane ammoxidation over the Mo-V-(Te,Sb)-(Nb,Ta)-O M1 and M2 phases resulted in the development of quantitative understanding of the surface molecular structure – reactivity relationships for this unique catalytic system. These oxides possess unique catalytic properties among mixed metal oxides, because they selectively catalyze three alkane transformation reactions, namely propane ammoxidation to acrylonitrile, propane oxidation to acrylic acid and ethane oxidative dehydrogenation, all of considerable economic significance. Therefore, the larger goal of this research was to expand this catalysis to other alkanes of commercial interest, and more broadly, demonstrate successful approaches to rational design of improved catalysts that can be applied to other selective (amm)oxidation processes.

  4. Performance and emissions of a catalytic reactor with propane, diesel, and Jet A fuels

    NASA Technical Reports Server (NTRS)

    Anderson, D. N.

    1977-01-01

    Tests were made to determine the performance and emissions of a catalytic reactor operated with propane, No. 2 diesel, and Jet A fuels. A 12-cm diameter and 16-cm long catalytic reactor using a proprietary noble metal catalyst was operated at an inlet temperature of 800 K, a pressure of 300,000 Pa and reference velocities of 10 to 15 m/s. No significant differences between the performance of the three fuels were observed when 98.5 percent purity propane was used. The combustion efficiency for 99.8-percent purity propane tested later was significantly lower, however. The diesel fuel contained 135 ppm of bound nitrogen and consequently produced the highest NOx emissions of the three fuels. As much as 85 percent of the bound nitrogen was converted to NOx. Steady-state emissions goals based on half the most stringent proposed automotive standards were met when the reactor was operated at an adiabatic combustion temperature higher than 1350 K with all fuels except the 99.8-percent purity propane. With that fuel, a minimum temperature of 1480 K was required.

  5. 16 CFR Figure 7 to Part 1633 - Elements of Propane Flow Control for Each Burner

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 16 Commercial Practices 2 2013-01-01 2013-01-01 false Elements of Propane Flow Control for Each Burner 7 Figure 7 to Part 1633 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION FLAMMABLE FABRICS ACT REGULATIONS STANDARD FOR THE FLAMMABILITY (OPEN FLAME) OF MATTRESS SETS Pt. 1633, Fig. 7 Figure...

  6. 16 CFR Figure 7 to Part 1633 - Elements of Propane Flow Control for Each Burner

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 16 Commercial Practices 2 2010-01-01 2010-01-01 false Elements of Propane Flow Control for Each Burner 7 Figure 7 to Part 1633 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION FLAMMABLE FABRICS ACT REGULATIONS STANDARD FOR THE FLAMMABILITY (OPEN FLAME) OF MATTRESS SETS Pt.1633, Fig. 7 Figure...

  7. 16 CFR Figure 7 to Part 1633 - Elements of Propane Flow Control for Each Burner

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 16 Commercial Practices 2 2014-01-01 2014-01-01 false Elements of Propane Flow Control for Each Burner 7 Figure 7 to Part 1633 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION FLAMMABLE FABRICS ACT REGULATIONS STANDARD FOR THE FLAMMABILITY (OPEN FLAME) OF MATTRESS SETS Pt. 1633, Fig. 7 Figure...

  8. 16 CFR Figure 7 to Part 1633 - Elements of Propane Flow Control for Each Burner

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 16 Commercial Practices 2 2012-01-01 2012-01-01 false Elements of Propane Flow Control for Each Burner 7 Figure 7 to Part 1633 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION FLAMMABLE FABRICS ACT REGULATIONS STANDARD FOR THE FLAMMABILITY (OPEN FLAME) OF MATTRESS SETS Pt.1633, Fig. 7 Figure...

  9. 16 CFR Figure 7 to Part 1633 - Elements of Propane Flow Control for Each Burner

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 16 Commercial Practices 2 2011-01-01 2011-01-01 false Elements of Propane Flow Control for Each Burner 7 Figure 7 to Part 1633 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION FLAMMABLE FABRICS ACT REGULATIONS STANDARD FOR THE FLAMMABILITY (OPEN FLAME) OF MATTRESS SETS Pt.1633, Fig. 7 Figure...

  10. RETENTION OF HALOCARBONS ON A HEXAFLUOROPROPYLENE EPOXIDE-MODIFIED GRAPHITIZED CARBON BLACK - IV. PROPANE- BASED COMPOUNDS

    EPA Science Inventory

    The retention characteristics of 25 propane-based bromofluorocarbon, chlorocarbon, chlorofluorocarbon, and fluorocarbon fluids have been studied as a function of temperature on a stationary phase consisting of a 5% (m/m) coating of a low-molecular-mass polymer of hexafluoropropyl...

  11. THE HEAT CAPACITY OF FLUORINATED PROPANE AND BUTANE DERIVATIVES BY DIFFERENTIAL SCANNING CALORIMETRY

    EPA Science Inventory

    The paper gives results of the measurement (to 3% accuracy) of the constant-pressure liquid-phase heat capacities of 21 hydrogen-containing fluorinated propane and butane derivatives and one fluorinated ether (CF3OCF2H) with boiling points ranging from -34.6 to 76.7 C, using diff...

  12. Developing synthesis techniques for zeolitic-imidazolate framework membranes for high resolution propylene/propane separation

    NASA Astrophysics Data System (ADS)

    Kwon, Hyuk Taek

    Propylene/propane separation is one of the most challenging separations, currently achieved by energy-intensive cryogenic distillation. Despite the great potentials for energy-efficient membrane-based propylene/propane separation processes, no commercial membranes are available due to the limitations (i.e., low selectivity) of current polymeric materials. Zeolitic imidazolate frameworks (ZIFs) are promising membrane materials primarily due to their well-defined ultra-micropores with controllable surface chemistry along with their relatively high thermal/chemical stabilities. In particular, ZIF-8 with the effective aperture size of ~ 4.0 A has been shown very promising for propylene/propane separation. Despite the extensive research on ZIF-8 membranes, only a few of ZIF-8 membranes have displayed good propylene/propane separation performances presumably due to the challenges of controlling the microstructures of polycrystalline membranes. Since the membrane microstructures are greatly influenced by processing techniques, it is critically important to develop new techniques. In this dissertation, three state-of-the-art ZIF membrane synthesis techniques are developed. The first is a one-step in-situ synthesis technique based on the concept of counter diffusion. The technique enabled us to obtain highly propylene selective ZIF-8 membranes in less than a couple of hours with exceptional mechanical strength. Most importantly, due to the nature of the counter-diffusion concept, the new method offered unique opportunities such as healing defective membranes (i.e., poorly-intergrown) as well as significantly reducing the consumption of costly ligands and organic solvents. The second is a microwave-assisted seeding technique. Using this new seeding technique, we were able to prepare seeded supports with a high packing density in a couple of minutes, which subsequently grown into highly propylene-selective ZIF-8 membranes with an average propylene/propane selectivity of ~40

  13. Low-temperature complete combustion of a dilute mixture of methane and propane over transition-metal-doped ZrO2 catalysts: effect of the presence of propane on methane combustion.

    PubMed

    Choudhary, V R; Deshmukh, G M; Pataskar, S G

    2005-04-01

    Complete combustion of dilute methane alone or a dilute mixture of methane and propane over transition-metal (viz. Mn, Co, Cr, Fe, and Ni)-doped ZrO2 (cubic) catalysts at different temperatures (523-873 K) and a space velocity of 51,000 cm3 x g(-1) x h(-1) has been investigated for controlling methane and propane emissions from exhaust gases. The catalysts are compared for their catalytic ignition temperature and activity in the combustion of propane and methane in the presence of each other. The methane combustion activity of all the catalysts is strongly influenced by the presence of propane; it is decreased markedly. In the combustion of mixed methane and propane the Mn-doped ZrO2 and Cr-doped ZrO2 catalysts show the highest activity in the combustion of methane and propane, respectively; the Ni-doped ZrO2 shows the lowest activity in both cases. In the combustion of mixed methane and propanethe propane combustion is enhanced butthe methane combustion retarded when the Cr-doped ZrO2 and Mn-doped ZrO2 catalysts in a 1:1 ratio are used together in different ways (mixed or in layers).

  14. Novel Pt/Mg(In)(Al)O catalysts for ethane and propane dehydrogenation

    SciTech Connect

    Sun, Pingping; Siddiqi, Georges; Vining, William C.; Chi, Miaofang; Bell, Alexis T.

    2011-10-28

    Catalysts for the dehydrogenation of light alkanes were prepared by dispersing Pt on the surface of a calcined hydrotalcite-like support containing indium, Mg(In)(Al)O. Upon reduction in H{sub 2} at temperatures above 673 K, bimetallic particles of PtIn are observed by TEM, which have an average diameter of 1 nm. Analysis of Pt LIII-edge extended X-ray absorption fine structure (EXAFS) data shows that the In content of the bimetallic particles increases with increasing bulk In/Pt ratio and reduction temperature. Pt LIII-edge X-ray absorption near edge structure (XANES) indicates that an increasing donation of electronic charge from In to Pt occurs with increasing In content in the PtIn particles. The activity and selectivity of the Pt/Mg(In)(Al)O catalysts for ethane and propane dehydrogenation reactions are strongly dependent on the bulk In/Pt ratio. For both reactants, maximum activity was achieved for a bulk In/Pt ratio of 0.48, and at this In/Pt ratio, the selectivity to alkene was nearly 100%. Coke deposition was observed after catalyst use for either ethane or propane dehydrogenation, and it was observed that the alloying of Pt with In greatly reduced the amount of coke deposited. Characterization of the deposit by Raman spectroscopy indicates that the coke is present as highly disordered graphite particles <30 nm in diameter. While the amount of coke deposited during ethane and propane dehydrogenation are comparable, the effects on activity are dependent on reactant composition. Coke deposition had no effect on ethane dehydrogenation activity, but caused a loss in propane dehydrogenation activity. This difference is attributed to the greater ease with which coke produced on the surface of PtIn nanoparticles migrates to the support during ethane dehydrogenation versus propane dehydrogenation.

  15. Gas-phase simulated moving bed: Propane/propylene separation on 13X zeolite.

    PubMed

    Martins, Vanessa F D; Ribeiro, Ana M; Plaza, Marta G; Santos, João C; Loureiro, José M; Ferreira, Alexandre F P; Rodrigues, Alírio E

    2015-12-01

    In the last years several studies were carried out in order to separate gas mixtures by SMB technology; however, this technology has never been implemented on an industrial scale. In the present work, a gas phase SMB bench unit was built and tested for the separation of propane and propylene mixtures, using 13X zeolite extrudates as adsorbent and isobutane as desorbent. Three experiments were performed to separate propane/propylene by gas phase SMB in the bench scale unit with a 4-2-2 configuration, i.e., open loop circuit by suppressing section IV (desorbent regeneration followed by a recycle). Consequently, all the experiments were conducted using an external supply of pure isobutane as desorbent. Parameters such as switching time, extract and raffinate stream flow rates were changed to improve the efficiency of the process. Experimental results have shown that it is feasible to separate propylene from propane by gas phase SMB at a bench scale and that this process is a potential candidate to replace the conventional technologies for the propane/propylene separation. The performance parameters obtained are very promising for future development of this technology, since propylene was obtained in the extract stream with a purity of 99.93%, a recovery of 99.51%, and a productivity of [Formula: see text] . Propane was obtained in the raffinate stream with a purity of 98.10%, a recovery of 99.73% and a productivity of [Formula: see text] . The success of the above mentioned bench scale tests is a big step for the future implementation of this technology in a larger scale.

  16. Marine microbes rapidly adapt to consume ethane, propane, and butane within the dissolved hydrocarbon plume of a natural seep

    NASA Astrophysics Data System (ADS)

    Mendes, Stephanie D.; Redmond, Molly C.; Voigritter, Karl; Perez, Christian; Scarlett, Rachel; Valentine, David L.

    2015-03-01

    Simple hydrocarbon gases containing two to four carbons (ethane, propane, and butane) are among the most abundant compounds present in petroleum reservoirs, and are introduced into the ocean through natural seepage and industrial discharge. Yet little is known about the bacterial consumption of these compounds in ocean waters. To assess the timing by which microbes metabolize these gases, we conducted a three-phase study that tested and applied a radiotracer-based method to quantify the oxidation rates of ethane, propane, and butane in fresh seawater samples. Phase 1 involved the synthesis of tritiated ethane, propane, and butane using Grignard reagents and tritiated water. Phase 2 was a systematic assessment of experimental conditions, wherein the indigenous microbial community was found to rapidly oxidize ethane, propane, and butane. Phase 3 was the application of this tritium method near the Coal Oil Point seeps, offshore California. Spatial and temporal patterns of ethane, propane, and butane oxidation down current from the hydrocarbon seeps demonstrated that >99% of these gases are metabolized within 1.3 days following initial exposure. The oxidation of ethane outpaced oxidation of propane and butane with patterns indicating the microbial community responded to these gases by rapid adaptation or growth. Methane oxidation responded the slowest in plume waters. Estimates based on the observed metabolic rates and carbon mass balance suggest that ethane, propane, and butane-consuming microorganisms may transiently account for a majority of the total microbial community in these impacted waters.

  17. Comparison of combustion characteristics of ASTM A-1, propane, and natural-gas fuels in an annular turbojet combustor

    NASA Technical Reports Server (NTRS)

    Wear, J. D.; Jones, R. E.

    1973-01-01

    The performance of an annular turbojet combustor using natural-gas fuel is compared with that obtained using ASTM A-1 and propane fuels. Propane gas was used to simulate operation with vaporized kerosene fuels. The results obtained at severe operating conditions and altitude relight conditions show that natural gas is inferior to both ASTM A-1 and propane fuels. Combustion efficiencies were significantly lower and combustor pressures for relight were higher with natural-gas fuel than with the other fuels. The inferior performance of natural gas is shown to be caused by the chemical stability of the methane molecule.

  18. Operation of gas electron multiplier (GEM) with propane gas at low pressure and comparison with tissue-equivalent gas mixtures

    NASA Astrophysics Data System (ADS)

    De Nardo, L.; Farahmand, M.

    2016-05-01

    A Tissue-Equivalent Proportional Counter (TEPC), based on a single GEM foil of standard geometry, has been tested with pure propane gas at low pressure, in order to simulate a tissue site of about 1 μm equivalent size. In this work, the performance of GEM with propane gas at a pressure of 21 and 28 kPa will be presented. The effective gas gain was measured in various conditions using a 244Cm alpha source. The dependence of effective gain on the electric field strength along the GEM channel and in the drift and induction region was investigated. A maximum effective gain of about 5×103 has been reached. Results obtained in pure propane gas are compared with gas gain measurements in gas mixtures commonly employed in microdosimetry, that is propane and methane based Tissue-Equivalent gas mixtures.

  19. [Fire disaster due to deflagration of a propane gas-air mixture].

    PubMed

    Nadjem, Hadi; Vogt, Susanne; Simon, Karl-Heinz; Pollak, Stefan; Geisenberger, Dorothee; Kramer, Lena; Pircher, Rebecca; Perdekampl, Markus Große; Thierauf-Emberger, Annette

    2015-01-01

    On 26 Nov 2012, a serious fire occurred at Neustadt/Black Forest in which 14 persons in a sheltered workshop died and 10 other individuals were injured. The fire was caused by the unbridled escape of propane gas due to accidental disconnection of the screw fixing between a gas bottle and a catalytic heater. Deflagration of the propane gas-air mixture set the workshop facilities on fire. In spite of partly extensive burns the fatally injured victims could be rapidly identified. The results of the fire investigations at the scene and the autopsy findings are presented. Carboxyhemoglobin concentrations ranged between 8 and 56 % and signs of fire fume inhalation were present in all cases. Three victims had eardrum ruptures due to the sudden increase in air pressure during the deflagration. PMID:26548032

  20. Hydrogen Safety Issues Compared to Safety Issues with Methane andPropane

    SciTech Connect

    Green, Michael A.

    2005-08-20

    The hydrogen economy is not possible if the safety standards currently applied to liquid hydrogen and hydrogen gas by many laboratories are applied to devices that use either liquid or gaseous hydrogen. Methane and propane are commonly used by ordinary people without the special training. This report asks, 'How is hydrogen different from flammable gasses that are commonly being used all over the world?' This report compares the properties of hydrogen, methane and propane and how these properties may relate to safety when they are used in both the liquid and gaseous state. Through such an analysis, sensible safety standards for the large-scale (or even small-scale) use of liquid and gaseous hydrogen systems can be developed. This paper is meant to promote discussion of issues related to hydrogen safety so that engineers designing equipment can factor sensible safety standards into their designs.

  1. ZrO2 -Based Alternatives to Conventional Propane Dehydrogenation Catalysts: Active Sites, Design, and Performance.

    PubMed

    Otroshchenko, Tatyana; Sokolov, Sergey; Stoyanova, Mariana; Kondratenko, Vita A; Rodemerck, Uwe; Linke, David; Kondratenko, Evgenii V

    2015-12-21

    Non-oxidative dehydrogenation of propane to propene is an established large-scale process that, however, faces challenges, particularly in catalyst development; these are the toxicity of chromium compounds, high cost of platinum, and catalyst durability. Herein, we describe the design of unconventional catalysts based on bulk materials with a certain defect structure, for example, ZrO2 promoted with other metal oxides. Comprehensive characterization supports the hypothesis that coordinatively unsaturated Zr cations are the active sites for propane dehydrogenation. Their concentration can be adjusted by varying the kind of ZrO2 promoter and/or supporting tiny amounts of hydrogenation-active metal. Accordingly designed Cu(0.05 wt %)/ZrO2 -La2 O3 showed industrially relevant activity and durability over ca. 240 h on stream in a series of 60 dehydrogenation and oxidative regeneration cycles between 550 and 625 °C. PMID:26566072

  2. [Fire disaster due to deflagration of a propane gas-air mixture].

    PubMed

    Nadjem, Hadi; Vogt, Susanne; Simon, Karl-Heinz; Pollak, Stefan; Geisenberger, Dorothee; Kramer, Lena; Pircher, Rebecca; Perdekampl, Markus Große; Thierauf-Emberger, Annette

    2015-01-01

    On 26 Nov 2012, a serious fire occurred at Neustadt/Black Forest in which 14 persons in a sheltered workshop died and 10 other individuals were injured. The fire was caused by the unbridled escape of propane gas due to accidental disconnection of the screw fixing between a gas bottle and a catalytic heater. Deflagration of the propane gas-air mixture set the workshop facilities on fire. In spite of partly extensive burns the fatally injured victims could be rapidly identified. The results of the fire investigations at the scene and the autopsy findings are presented. Carboxyhemoglobin concentrations ranged between 8 and 56 % and signs of fire fume inhalation were present in all cases. Three victims had eardrum ruptures due to the sudden increase in air pressure during the deflagration.

  3. The frozen orbital approximation for calculating ionization energies with application to propane

    NASA Astrophysics Data System (ADS)

    Müller, Wolfgang; Nager, Christoph; Rosmus, Pavel

    1980-09-01

    In the frozen orbital approximation (FOA), the influence of reorganization on correlation contributions to ionization energies is neglected. It is particularly useful in calculations for large molecules because of the advantage that only one integral transformation is required for the calculation of all ionic states. In connection with the concept of independent orbital correlation contributions, the dimensions of the CI matrices can be drastically reduced. The method is applied to the calculation of the valence ionization energies of propane, and compared to more rigorous ab initio results and a recent calculation in which inner valence shell contributions to electron correlation are neglected. The ordering of the first three ionizations in the photoelectron spectrum of propane, which has not been definitively assigned, is shown to be 2B1(2b1),2A1(6a1) and 2B2(4b2), in agreement with Koopmans' theorem.

  4. Analysis of the site-specific carbon isotope composition of propane by gas source isotope ratio mass spectrometer

    NASA Astrophysics Data System (ADS)

    Piasecki, Alison; Sessions, Alex; Lawson, Michael; Ferreira, A. A.; Neto, E. V. Santos; Eiler, John M.

    2016-09-01

    Site-specific isotope ratio measurements potentially provide valuable information about the formation and degradation of complex molecules-information that is lost in conventional bulk isotopic measurements. Here we discuss the background and possible applications of such measurements, and present a technique for studying the site-specific carbon isotope composition of propane at natural abundance based on mass spectrometric analysis of the intact propane molecule and its fragment ions. We demonstrate the feasibility of this approach through measurements of mixtures of natural propane and propane synthesized with site-specific 13C enrichment, and we document the limits of precision of our technique. We show that mass balance calculations of the bulk δ13C of propane based on our site-specific measurements is generally consistent with independent constraints on bulk δ13C. We further demonstrate the accuracy of the technique, and illustrate one of its simpler applications by documenting the site-specific carbon isotope signature associated with gas phase diffusion of propane, confirming that our measurements conform to the predictions of the kinetic theory of gases. This method can be applied to propane samples of moderate size (tens of micromoles) isolated from natural gases. Thus, it provides a means of studying the site-specific stable isotope systematics of propane at natural isotope abundances on sample sizes that are readily recovered from many natural environments. This method may also serve as a model for future techniques that apply high-resolution mass spectrometry to study the site-specific isotopic distributions of larger organic molecules, with potential applications to biosynthesis, forensics and other geochemical subjects.

  5. Hydrate equilibria for binary and ternary mixtures of methane, propane, isobutane, and n-butane; Effect of salinity

    SciTech Connect

    Paranjpe, S.G. ); Kamath, V.A.; Patil, S.L. ); Godpole, S.P. )

    1989-11-01

    This paper provides new experimental data on the phase behavior of gas hydrates for several binary and ternary mixtures of methane, propane, isobutane, and n-butane. After the molecular Kihara parameters for n-butane in the thermodynamic model were tuned, the predictions were in good agreement with the experimental data. The role of n-butane formation is explained, and the effect of salinity on the phase behavior of binary mixtures of propane/n-butane is determined.

  6. Isolation and Characterization of Ethane, Propane, and Butane Consuming Bacteria from Marine Hydrocarbon Seeps

    NASA Astrophysics Data System (ADS)

    Redmond, M. C.; Valentine, D. L.

    2005-12-01

    Three strains of ethane, propane, or butane consuming bacteria were isolated from marine hydrocarbon seep sediments at Coal Oil Point, off shore Santa Barbara, CA. These three isolates (MR1, MR2 and MR3) were capable of growth at natural environmental temperatures and salinity. Isolate MR2 was capable of growth on ethane or propane as the sole carbon source, isolate MR4 on propane or butane, and isolate MR3 on ethane, propane, or butane. All three isolates were also able to grow on other carbon-containing molecules, including ethanol, 1-propanol, 2-propanol, acetate, butyrate, sucrose, and dextrose, and isolates MR3 and MR4 were able to grow on 1-butanol and 2-butanol. None showed significant growth with methane, methanol, or formate as the sole carbon source. 16S rDNA sequencing indicated that isolate MR2 was most closely related to the gamma-Proteobacterium Pseudomonas stutzeri, while isolates MR3 and MR4 were both Gram-positive and most similar to Rhodococcus wratislaviensis and Rhodococcus opacus, respectively. Compared to methanotrophs, relatively little is known about the organisms that consume the C2-C4 alkanes, but both our isolates and the previously described species appear to be capable of metabolizing a wide variety of carbon compounds, including several common pollutants. The growth of these hydrocarbon-oxidizing bacteria on other organic compounds raises the possibility that the abundance and distribution of organic matter might be expected to impact the oxidation of C2-C4 hydrocarbons. Additional studies will further characterize the range of metabolism, and will investigate the importance of these organisms in natural hydrocarbon seep environments.

  7. Analysis of Ignition Behavior in a Turbocharged Direct Injection Dual Fuel Engine Using Propane and Methane as Primary Fuels

    SciTech Connect

    Polk, A. C.; Gibson, C. M.; Shoemaker, N. T.; Srinivasan, K. K.; Krishnan, S. R.

    2013-05-24

    This paper presents experimental analyses of the ignition delay (ID) behavior for diesel-ignited propane and diesel-ignited methane dual fuel combustion. Two sets of experiments were performed at a constant speed (1800 rev/min) using a 4-cylinder direct injection diesel engine with the stock ECU and a wastegated turbocharger. First, the effects of fuel-air equivalence ratios (© pilot ¼ 0.2-0.6 and © overall ¼ 0.2-0.9) on IDs were quantified. Second, the effects of gaseous fuel percent energy substitution (PES) and brake mean effective pressure (BMEP) (from 2.5 to 10 bar) on IDs were investigated. With constant © pilot (> 0.5), increasing © overall with propane initially decreased ID but eventually led to premature propane autoignition; however, the corresponding effects with methane were relatively minor. Cyclic variations in the start of combustion (SOC) increased with increasing © overall (at constant © pilot), more significantly for propane than for methane. With increasing PES at constant BMEP, the ID showed a nonlinear (initially increasing and later decreasing) trend at low BMEPs for propane but a linearly decreasing trend at high BMEPs. For methane, increasing PES only increased IDs at all BMEPs. At low BMEPs, increasing PES led to significantly higher cyclic SOC variations and SOC advancement for both propane and methane. Finally, the engine ignition delay (EID) was also shown to be a useful metric to understand the influence of ID on dual fuel combustion.

  8. Direct evidence of active surface reconstruction during oxidative dehydrogenation of propane over VMgO catalyst

    SciTech Connect

    Pantazidis, A.; Mirodatos, C.; Burrows, A.; Kiely, C.J.

    1998-07-25

    This paper presents a thorough investigation of an optimized VMgO catalyst (14 wt% V) for the oxidative dehydrogenation of propane, carried out in order to elucidate the nature and behavior of the active surface. The catalyst morphology and the surface composition are studied by means of HREM, XPS, UV-vis, XRD, and in-situ electrical conductivity techniques, as a function of the gaseous environments of the catalyst. The active surface is shown to be essentially a monolayer of amorphous VO{sub 4}{sup 3{minus}} units scattered over the magnesia as isolated and polymeric species. These surface vanadia units are found to stabilize an unusual polar (111) orientation of MgO up to temperatures of 800 C. A direct and outstanding evidence of a totally reversible phenomenon of order/disorder restructuration of this V overlayer is provided in conjunction with the redox state of the surface depending on the properties of the surrounding atmosphere (reductive or oxidative). These fast surface phenomena are assumed to determine the elementary steps of propane activation within the overall oxidative dehydrogenation of propane (ODHP) process.

  9. The interaction of water mists and premixed propane-air flames under low-gravity conditions

    NASA Astrophysics Data System (ADS)

    Abbud-Madrid, Angel; Riedel, Edward P.; McKinnon, J. Thomas

    1999-01-01

    A preliminary investigation of the effect of water mists on premixed flame propagation in a cylindrical tube under low-gravity conditions has been conducted to define the scientific and technical objectives of the experiments to be performed on the Space Shuttle and International Space Station microgravity environments. The inhibiting characteristics of water mists in propagating flames of propane-air mixtures at various equivalence ratios are studied. The effects of droplet size and concentration on the laminar flame speed are used as the measure of fire suppression efficacy. Flame speed and propagation behavior are monitored by a video camera. Reduced gravity is obtained with an aircraft flying parabolic trajectories. Measurements and qualitative observations from the low-gravity experiments clearly show the effect of water mist on flame speed abatement, flame shape, and radiant emission. For lean propane-air mixtures, the flame speed increases at first with low water-mist concentrations and then decreases below its dry value when higher water-mist volumes are introduced in the tube. This phenomenon may be due in part to the heating of the unburned mixture ahead of the flame as a result of radiation absorption by the water droplets. For rich propane-air mixtures, similar behavior of flame speed vs. water concentration is encountered but in this case is mostly due to the formation of cellular flames. At high water loads both lean and rich flames exhibit extinction before reaching the end of the tube.

  10. Propanal synthesis from aqueous propylene glycol/hydrogen peroxide on a Ru/alumina catalyst

    SciTech Connect

    Disselkamp, Robert S.; Harris, Benjamin D.; Patel, Jayshribe N.; Hart, Todd R.; Peden, Charles HF

    2008-05-01

    The conversion of polyol materials, including 1,2-diols, into higher commodity chemicals is actively being pursued by many researchers. Here we report the production of propanal from propylene glycol and hydrogen peroxide using a Ru/alumina catalyst. Experiments were conducted by adding up to four peroxide equivalents under steady-state reflux conditions at 371 K. The product propanal and its subsequent reaction product with substrate, 1,3-dioxolane-2-ethyl-4-methyl, was observed to be an intermediate achieving a maximum concentration of 3% of substrate. Buffering using Mg(OH)2 at pH~10 resulted in propanal formation, whereas buffering at similar pH using Na2HSO4 did not, from which we propose that magnesium acts as a promoter in the reaction. The mechanism appears to be a dehydration to enol, followed by rearrangement to product. Experiments utilizing Ru/carbon did not yield any propanol suggesting that the acidic sites of alumina aid the dehydration reaction. To our knowledge, this represents the first time hydrogen peroxide has been used in an alcohol dehydration reaction.

  11. A propane-filled bubble chamber as a time-independent gamma burst spectrometer

    SciTech Connect

    Browning, J.F.; Ruiz, C.L.; Cooper, G.W.; Lerche, R.A.

    1996-12-31

    A bubble chamber to be used as a gamma burst spectrometer in Inertial Confinement Fusion research has been proposed. Freon-115 was initially chosen as the working fluid of the bubble chamber due to its larger intrinsic efficiency, low operating temperature and pressure as well as its environmentally benign nature. Initial calculations indicate poor resolution over the energy range of interest, several keV to approximately 20 MeV. Evaluation led the author to consider propane as the working fluid. The resolution ({Delta}p/p) for gamma-ray energies of 2 MeV and 20 Mev are 22.1% and 6.4%, respectively, an improvement of approximately a factor 3. To further enhance the resolution of the chamber they propose increasing the magnetic field strength from 1.5 tesla to 2.0 tesla. They present operating parameters for the propane compared with that of the freon. The simulation tool GEANT will be used to model the response of the spectrometer over the energy range of interest. They discuss the efficiency and resolution of the spectrometer using propane as an operating fluid in the bubble chamber.

  12. Catalytic dehydrogenation of propane and isobutane in hydrogen permselective membrane reactors

    SciTech Connect

    Collins, J.P.; Schwartz, R.W.; Sehgal, R.; Ward, T.L.

    1996-09-01

    The dehydrogenation of propane and isobutane was studied in hydrogen permselective packed bed membrane reactors and conventional packed bed reactors. Two different types of developmental membranes were investigated: sol-gel derived silica-based membranes and a pure palladium thin film supported by a porous ceramic substrate. The palladium membranes deactivated and eventually failed when exposed to both isobutane and propane dehydrogenation temperatures above 773 K. Moderate improvements in propylene and isobutylene yields were obtained with the silica-based membrane reactors. An isobutylene yield of 48 mole percent was obtained at a liquid hourly space velocity (LHSV) of 1.8 and temperature of 798 K compared to a yield of 39 percent in a conventional reactor operated with the same flow rate. Similar improvements in propylene yield were obtained when the silica-based membranes were tested in propane dehydrogenation experiments. There was no significant difference in the reaction selectivities for the desired olefin products when the membrane and conventional reactors were operated with the scone LHSV However, for a constant value of the olefin yield, the membrane reactors had a higher reaction selectivity since the desired yield was achieved at a higher LHSV where there was less time for side products to form. Catalyst deactivation rates were generally greater in the membrane reactors, especially when the reactors were operated with high hydrogen removal rates at temperatures of 773 K and above.

  13. Thermocatalytic Destruction of Gas-Phase Perchloroethylene Using Propane as a Hydrogen Source

    PubMed Central

    Willinger, Marty; Rupp, Erik; Barbaris, Brian; Gao, Song; Arnolda, Robert; Betterton, Eric; Sáez, A. Eduardo

    2009-01-01

    The use of propane in combination with oxygen to promote the destruction of perchloroethylene (PCE) over a platinum (Pt)/rhodium (Rh) catalyst on a cerium/zirconium oxide washcoat supported on an alumina monolith was explored. Conversions of PCE were measured in a continuous flow reactor with residence times less than 0.5 s and temperatures ranging from 200 to 600°C. The presence of propane was shown to increase significantly the conversion of PCE over oxygen-only conditions. Conversions close to 100% were observed at temperatures lower than 450°C with 20% oxygen and 2% propane in the feed, which makes this process attractive from a practical standpoint. In the absence of oxygen, PCE conversion is even higher, but the catalyst suffers significant deactivation in less than an hour. Even though results show that oxygen competes with reactants for active sites on the catalyst, the long-term stability that oxygen confers to the catalyst makes the process an efficient alternative to PCE oxidation. A Langmuir-Hinshelwood competitive adsorption model is proposed to quantify PCE conversion. PMID:19217713

  14. Sorption of methane, ethane, propane, butane, carbon dioxide, and nitrogen on kerogen

    NASA Astrophysics Data System (ADS)

    Pribylov, A. A.; Skibitskaya, N. A.; Zekel', L. A.

    2014-06-01

    Sorption isotherms of nitrogen, methane (in the pressure range of 0.1-40 MPa), ethane (0.1-3.7MPa), propane (0.01-1 MPa), butane (0.01-0.2 MPa), and carbon dioxide (0.1-6 MPa) are measured on two adsorbents with kerogen contents of 16 and 75% at temperatures of 303, 323, 343 K. Adsorption volumes are calculated for all adsorption systems using two independent methods. The BET technique is used to determine the surface area values of the two adsorbents on the basis of sorption data for ethane, propane, butane, and carbon dioxide. The initial and isosteric adheat of sorption values are calculated on the basis of sorption isotherms of ethane, propane, butane, carbon dioxide measured at three temperatures. It is found from comparing the dependences of isosteric heat of sorption on the two adsorbents that molecules of the above gases diffuse into its bulk (adsorbent 2) in addition to sorbing on the outside surface formed by kerogen molecules, while sorption of the same gases on the rock (adsorbent 1) is similar to sorption on a smooth hard adsorbent surface.

  15. Promotional mechanism of propane on selective catalytic reduction of NOx by methane over In/H-BEA at low temperature

    NASA Astrophysics Data System (ADS)

    Pan, Hua; Jian, Yanfei; Yu, Yanke; Chen, Ningna; He, Chi; He, Cheng

    2016-12-01

    Effects of propane/methane ratios on NOx reduction by mixtures of methane and propane over In/H-BEA catalyst were investigated at temperatures ranging from 250 to 550 °C. The higher catalytic activity of In/H-BEA was exhibited for CH4-SCR at high temperatures above 450 °C, while the higher NOx conversion was achieved in C3H8-SCR at below 425 °C. A broadened temperature window and enhanced CO2 selectivity were achieved by combining of methane and propane as the co-reductant. The mixtures with propane/methane of 1/2 showed the most superior T50 (325 °C) and T90 (500 °C) temperatures for NOx reduction over In/H-BEA catalyst. For the promotion mechanism of propane on NO reduction by methane at low temperature, the formation of carbonaceous species (e.g. R-COOH) were enhanced by the activation of C3H8 on Brønsted acid sites at low temperature, and further promoted the generation of sbnd NCO species, which was a crucial determining step for NO reduction.

  16. Features of propane conversion in the presence of SmVO3 and SmVO4

    NASA Astrophysics Data System (ADS)

    Markova, E. B.; Lyadov, A. S.; Kurilkin, V. V.

    2016-09-01

    Features of propane conversion in the presence of samarium vanadite and samarium vanadate, both produced via solid-phase synthesis, are studied. It is shown that SmVO3 catalyzes mainly the propane cracking process to form methane and ethylene, while SmVO4 equally accelerates both cracking and the dehydrogenation of propane. Based on the results from catalytic experiments, energies of activation are calculated for the thermal cracking of propane (104 kJ/mol) and the conversion of propane in the presence of SmVO3 (39 kJ/mol) and SmVO4 (42 kJ/mol). The thermal stability of SmVO4 in a hydrogen atmosphere is studied via temperature-programmed reduction, while SmVO3 stability in an oxidizing environment is studied by DTA. Energies of activation for the reduction of SmVO4 (75 kJ/mol) and the oxidation of SmVO3 (244 kJ/mol) are calculated using the Kissinger method.

  17. Solubility and thermodynamic behavior of vanillin in propane-1,2-diol+water cosolvent mixtures at different temperatures.

    PubMed

    Shakeel, Faiyaz; Haq, Nazrul; Siddiqui, Nasir A; Alanazi, Fars K; Alsarra, Ibrahim A

    2015-12-01

    The solubilities of bioactive compound vanillin were measured in various propane-1,2-diol+water cosolvent mixtures at T=(298-318)K and p=0.1 MPa. The experimental solubility of crystalline vanillin was determined and correlated with calculated solubility. The results showed good correlation of experimental solubilities of crystalline vanillin with calculated ones. The mole fraction solubility of crystalline vanillin was recorded highest in pure propane-1,2-diol (7.06×10(-2) at 298 K) and lowest in pure water (1.25×10(-3) at 298 K) over the entire temperature range investigated. Thermodynamic behavior of vanillin in various propane-1,2-diol+water cosolvent mixtures was evaluated by Van't Hoff and Krug analysis. The results showed an endothermic, spontaneous and an entropy-driven dissolution of crystalline vanillin in all propane-1,2-diol+water cosolvent mixtures. Based on solubility data of this work, vanillin has been considered as soluble in water and freely soluble in propane-1,2-diol.

  18. The Effects of Mountain Lee Waves on the Transport of Liquid Propane-Generated Ice Crystals.

    NASA Astrophysics Data System (ADS)

    Reynolds, David W.

    1996-09-01

    A combination of rawinsonde balloon ascent rates, low-elevation aircraft, and ground-based tracer sampling measurements are presented. These data indicate that mountain-induced gravity waves have a significant impact on the transport of ice crystals produced by the release of liquid propane from high-altitude dispensers along the crest of the northern Sierra Nevada in California. Special rawinsonde launches were made just downwind of the main Sierra Nevada crest. Balloon ascent rates show a very well defined mountain lee wave present during most precipitation events. Strong descent to the lee of the Sierra will thus have a detrimental effect on the growth of particles generated on the crest. The tracer SF6 (sulfur hexaflouride) is used to simulate the transport and dispersion of propane-generated ice crystals. Sulfur hexaflouride was released from two propane dispenser sites as a proxy for seeded ice crystals. Aircraft measurements of SF6 indicated that at the normal flight altitudes of 2500 m over the downwind valley and 2800 m over the downwind ridge the aircraft was flying near the top of the plumes. When the aircraft was able to fly below cloud base, near the release altitude of 2200 m, substantial SF6 was observed. The lower portion of the plume was also observed to descend into the valley some 700 m below the release altitude. A simple two-dimensional model is used to determine the impact that these gravity waves have on particle trajectories. Model output is presented for one well-documented seeding case to determine how well such models might be used operationally to predict particle trajectories downwind of the Sierra.

  19. The physical properties of the blast wave produced by a stoichiometric propane/oxygen explosion

    NASA Astrophysics Data System (ADS)

    Dewey, M. C.; Dewey, J. M.

    2014-07-01

    The trajectory of the primary shock produced by the explosion of a nominal 18.14 t (20 tn) hemispherical propane/oxygen charge was analysed previously to provide the physical properties immediately behind the shock, but gave no information about the time-resolved properties throughout the blast wave. The present study maps all the physical properties of the wave throughout and beyond the positive durations for a range of distances from about 1.6-18 m scaled to a 1 kg charge at NTP. The physical properties were calculated using a hydro-code to simulate the flow field produced by a spherical piston moving with a specific trajectory. This technique has been used extensively to determine the physical properties of blast waves from a variety of sources for which the piston path was determined by high-speed photography of smoke tracers established close to the charges immediately before detonation. In the case of the propane/oxygen explosion, smoke tracer data were not available to determine the trajectory of the spherical piston. An arbitrary piston path was used and its trajectory iteratively adjusted until it produced a blast wave with a primary shock whose trajectory exactly matched the measured trajectory from the propane/oxygen explosion. Throughout the studied flow field the time histories of hydrostatic pressure, density and particle velocity are well described by fits to the modified Friedlander equation. The properties are presented as functions of scaled radius and are compared with the properties of the blast wave from a 1 kg TNT surface burst explosion, and with other measurements of the same explosion.

  20. The physical properties of the blast wave produced by a stoichiometric propane/oxygen explosion

    NASA Astrophysics Data System (ADS)

    Dewey, M. C.; Dewey, J. M.

    2014-11-01

    The trajectory of the primary shock produced by the explosion of a nominal 18.14 t (20 tn) hemispherical propane/oxygen charge was analysed previously to provide the physical properties immediately behind the shock, but gave no information about the time-resolved properties throughout the blast wave. The present study maps all the physical properties of the wave throughout and beyond the positive durations for a range of distances from about 1.6-18 m scaled to a 1 kg charge at NTP. The physical properties were calculated using a hydro-code to simulate the flow field produced by a spherical piston moving with a specific trajectory. This technique has been used extensively to determine the physical properties of blast waves from a variety of sources for which the piston path was determined by high-speed photography of smoke tracers established close to the charges immediately before detonation. In the case of the propane/oxygen explosion, smoke tracer data were not available to determine the trajectory of the spherical piston. An arbitrary piston path was used and its trajectory iteratively adjusted until it produced a blast wave with a primary shock whose trajectory exactly matched the measured trajectory from the propane/oxygen explosion. Throughout the studied flow field the time histories of hydrostatic pressure, density and particle velocity are well described by fits to the modified Friedlander equation. The properties are presented as functions of scaled radius and are compared with the properties of the blast wave from a 1 kg TNT surface burst explosion, and with other measurements of the same explosion.

  1. Novel Sol-Gel Based Pt Nanocluster Catalysts for Propane Dehydrogenation

    SciTech Connect

    Boespflug, Elaine; Kawola, Jeffrey S.; Martino, Anthony; Sault, Allen G.

    1999-08-09

    We report propane dehydrogenation behavior of catalysts prepared using two novel synthesis strategies that combine inverse micelle Pt nanocluster technology with silica and alumina sol-gel processing. Unlike some other sol-gel catalyst preparations. Pt particles in these catalysts are not encapsulated in the support structure and the entire Pt particle surface is accessible for reaction. Turnover frequencies (TOF) for these catalysts are comparable to those obtained over Pt catalysts prepared by traditional techniques such as impregnation, yet the resistance to deactivation by carbon poisoning is much greater in our catalysts. The deactivation behavior is more typical of traditionally prepared PtSn catalysts than of pure Pt catalysts.

  2. Propane-1,2-di­ammonium chromate(VI)

    PubMed Central

    Trabelsi, Sonia; Essid, Manel; Roisnel, Thierry; Rzaigui, Mohamed; Marouani, Houda

    2014-01-01

    In the title mol­ecular salt, (C3H12N2)[CrO4], each chromate anion accepts six N—H⋯O and C—H⋯O hydrogen bonds from nearby propane-1,2-di­ammonium cations. Three of the four O atoms of the chromate anion accept these bonds; the remaining Cr—O bond length is notably shorter than the others. In the crystal, the anions and cations stack in layers lying parallel to (100): the hydrogen-bonding pattern leads to a three-dimensional network. PMID:24764949

  3. Isolated FeII on Silica As a Selective Propane Dehydrogenation Catalyst

    SciTech Connect

    Hu, Bo; Schweitzer, Neil M.; Zhang, Guanghui; Kraft, Steven J.; Childers, David J.; Lanci, Michael P.; Miller, Jeffrey T.; Hock, Adam S.

    2015-04-17

    ABSTRACT: We report a comparative study of isolated FeII, iron oxide particles, and metallic nanoparticles on silica for non-oxidative propane dehydrogenation. It was found that the most selective catalyst was an isolated FeII species on silica prepared by grafting the open cyclopentadienide iron complex, bis(2,4-dimethyl-1,3-pentadienide) iron(II) or Fe(oCp)2. The grafting and evolution of the surface species was elucidated by 1H NMR, diffuse reflectance infrared Fourier transform spectroscopy and X-ray absorption spectroscopies. The oxidation state and local structure of surface Fe were characterized by X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure. The initial grafting of iron proceeds by one surface hydroxyl Si-OH reacting with Fe(oCp)2 to release one diene ligand (oCpH), generating a SiO2-bound FeII(oCp) species, 1-FeoCp. Subsequent treatment with H2 at 400 °C leads to loss of the remaining diene ligand and formation of nanosized iron oxide clusters, 1-C. Dispersion of these Fe oxide clusters occurs at 650 °C, forming an isolated, ligand-free FeII on silica, 1-FeII, which is catalytically active and highly selective (~99%) for propane dehydrogenation to propene. Under reaction conditions, there is no evidence of metallic Fe by in situ XANES. For comparison, metallic Fe nanoparticles, 2-NP-Fe0, were independently prepared by grafting Fe[N(SiMe3)2]2 onto silica, 2-FeN*, and reducing it at 650 °C in H2. The Fe NPs were highly active for propane conversion but showed poor selectivity (~14%) to propene. Independently prepared Fe oxide clusters on silica display a low activity. The sum of these results suggests that selective propane dehydrogenation occurs at isolated FeII sites.

  4. Neutron powder diffraction studies as a function of temperature of structure II hydrate formed from propane

    USGS Publications Warehouse

    Rawn, C.J.; Rondinone, A.J.; Chakoumakos, B.C.; Circone, S.; Stern, L.A.; Kirby, S.H.; Ishii, Y.

    2003-01-01

    Neutron powder diffraction data confirm that hydrate samples synthesized with propane crystallize as structure type II hydrate. The structure has been modeled using rigid-body constraints to describe C3H8 molecules located in the eight larger polyhedral cavities of a deuterated host lattice. Data were collected at 12, 40, 100, 130, 160, 190, 220, and 250 K and used to calculate the thermal expansivity from the temperature dependence of the lattice parameters. The data collected allowed for full structural refinement of atomic coordinates and the atomic-displacement parameters.

  5. Carbon nanotubes and other fullerene nanocrystals in domestic propane and natural gas combustion streams.

    PubMed

    Bang, J J; Guerrero, P A; Lopez, D A; Murr, L E; Esquivel, E V

    2004-09-01

    Carbon nanotubes and other aggregated fullerene-related multi-layer shell structures have been collected in propane and natural gas flame emissions from domestic cooking stoves and observed by transmission electron microscopy. Some aggregated nanoparticles collected on 3 mm electron microscope grids by thermal precipitation were mostly multi-walled nanotubes; many tangled and distorted, and aggregated with other closed-concentric, multi-shell forms. Such clean-burning regimes may be major contributors to complex particulate matter in indoor and outdoor air.

  6. Experimental and analytical study of nitric oxide formation during combustion of propane in a jet-stirred combustor

    NASA Technical Reports Server (NTRS)

    Wakelyn, N. T.; Jachimowski, C. J.; Wilson, C. H.

    1978-01-01

    A jet-stirred combustor, constructed of castable zirconia and with an Inconel injector, was used to study nitric oxide formation in propane-air combustion with residence times in the range from 3.2 to 3.3 msec and equivalence ratios varying from 0.7 to 1.4. Measurements were made of combustor operating temperature and of nitric oxide concentration. Maximum nitric oxide concentrations of the order of 55 ppm were found in the range of equivalence ratio from 1.0 to 1.1. A finite-rate chemical kinetic mechanism for propane combustion and nitric oxide formation was assembled by coupling an existing propane oxidation mechanism with the Zeldovich reactions and reactions of molecular nitrogen with hydrocarbon fragments. Analytical studies using this mechanism in a computer simulation of the experimental conditions revealed that the hydrocarbon-fragment-nitrogen reactions play a significant role in nitric oxide formation during fuel-rich combustion.

  7. Effect of bromine and chlorine positioning in the induction of renal and testicular toxicity by halogenated propanes.

    PubMed

    Låg, M; Søderlund, E J; Omichinski, J G; Brunborg, G; Holme, J A; Dahl, J E; Nelson, S D; Dybing, E

    1991-01-01

    A series of halogenated propanes were studied for renal and testicular necrogenic effects in the rat and correlated to their ability to induce in vivo renal and testicular DNA damage and in vitro testicular DNA damage. 1,2-Dibromo-3-chloropropane (DBCP) and 1,2,3-tribromopropane were most potent in causing organ damage in both kidney and testes. Extensive necrosis was evident at 85 mumol/kg in kidney and at 170 mumol/kg in testis. The dibromomonochlorinated analogue 1,3-dibromo-2-chloropropane was less organ toxic than DBCP and 1,2,3-tribromopropane, but induced more organ damage than the dichloromonobrominated analogues 1-bromo-2,3-dichloropropane and 1,3-dichloro-2-bromopropane. Dihalogenated propanes were even less necrogenic. These observed differences in toxic potency between the halogenated propanes could not be explained by relative differences in tissue concentrations. The ability of the halogenated propanes to induce DNA damage in vivo correlated well with their ability to induce organ damage. However, DNA damage occurred at lower doses and at a shorter period of exposure than organ necrosis. This indicates that DNA damage might be an initial event in the development of organ necrosis by halogenated propanes in general. Further, testicular DNA damage induced by the halogenated propanes in vivo correlated well with the DNA damage observed in isolated testicular cells in vitro, showing that toxicity was due to in situ activation. The numbers, positions, and the types of halogen substituents appear to be important determinants in causing DNA damage and necrogenic effects.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:1793801

  8. Catalytic propane reforming mechanism over Mn-Doped CeO2 (111)

    NASA Astrophysics Data System (ADS)

    Krcha, Matthew D.; Janik, Michael J.

    2015-10-01

    MnOx/CeOx mixed oxide systems exhibit encouraging hydrocarbon oxidation activity, without the inclusion of a noble metal. Using density functional theory (DFT) methods, we examined the oxidative reforming path of propane over the Mn-doped CeO2 (1 1 1) surface. A plausible set of elementary reaction steps are identified for conversion of propane to CO/CO2 and H2/H2O over the oxide surface. The rate-limiting reaction process may vary with redox conditions, with C-H dissociation limiting under more oxidizing conditions and more complex reaction sequences, including surface re-oxidation, limiting under highly reducing conditions. The possibility of intermediate desorption from the surface during the reforming process is low, with desorption energies of the intermediates being much less favorable than further surface reactions until CO/CO2 products are formed. The reforming paths over Mn-doped ceria are similar to those previously identified over Zr-doped ceria. The extent of surface reduction and the electronic structure of the surface intermediates are examined.

  9. Effects of Propane/Natural Gas Blended Fuels on Gas Turbine Pollutant Emissions

    SciTech Connect

    Straub, D.L.; Ferguson, D.H.; Casleton, K.H.; Richards, G.A.

    2007-03-01

    Liquefied natural gas (LNG) imports to the U.S. are expected to grow significantly over the next 10-15 years. Likewise, it is expected that changes to the domestic gas supply may also introduce changes in natural gas composition. As a result of these anticipated changes, the composition of fuel sources may vary significantly from conventional domestic natural gas supplies. This paper will examine the effects of fuel variability on pollutant emissions for premixed gas turbine conditions. The experimental data presented in this paper have been collected from a pressurized single injector combustion test rig at the National Energy Technology Laboratory (NETL). The tests are conducted at 7.5 atm with a 588 K air preheat. A propane blending facility is used to vary the Wobbe Index of the site natural gas. The results indicate that propane addition of about five (vol.) percent does not lead to a significant change in the observed NOx or CO emissions. These results are different from data collected on some engine applications and potential reasons for these differences will be described.

  10. Influence of propane additives on the detonation characteristics of H2-air mixtures

    NASA Astrophysics Data System (ADS)

    Cheng, Guanbing; Bauer, Pascal; Zitoun, Ratiba

    2014-03-01

    Hydrogen is more and more considered as a potential fuel for propulsion applications. However, due to its low ignition energy and wide flammability limits, H2-air mixtures raise a concern in terms of safety. This aspect can be partly solved by adding an alkane to these mixtures, which plays the role of an inhibitor. The present paper provides data on such binary fuel-air mixtures where various amounts of propane are added to hydrogen. The behavior of the corresponding mixtures, in terms of detonation characteristics and other fundamental properties, such as the cell size of the detonation front and induction delay, are presented and discussed for a series of equivalence ratios and propane addition. The experimental detonation velocity is in good agreement with calculated theoretical Chapman-Jouguet values. Based on soot tracks records, the cell size λ is measured, whereas the induction length L i is derived from data using a GRI-Mech kinetic mechanism. These data allow providing a value of the coefficient K = λ/L i .

  11. Survey of microbial oxygenases: Trichloroethylene degradation by propane-oxidizing bacteria

    SciTech Connect

    Wackett, L.P.; Brusseau, G.A.; Householder, S.R.; Hanson, R.S. )

    1989-11-01

    Microorganisms that biosynthesize broad-specificity oxygenases to initiate metabolism of linear and branched-chain alkanes, nitroalkanes, cyclic ketones, alkenoic acids, and chromenes were surveyed for the ability to biodegrade trichloroethylene (TCE). The results indicated that TCE oxidation is not a common property of broad-specificity microbial oxygenases. Bacteria that contained nitropropane dioxygenase, cyclohexanone monooxygenase, cytochrome P-450 monooxygenases, 4-methoxybenzoate monooxygenase, and hexane monooxygenase did not degrade TCE. However, one new unique class of microorganisms removed TCE from incubation mixtures. Five Mycobacterium strains that were grown on propane as the sole source of carbon and energy degraded TCE. Mycobacterium vaccae JOB5 degraded TCE more rapidly and to a greater extent than the four other propane-oxidizing bacteria. At a starting concentration of 20 {mu}M, it removed up to 99% of the TCE in 24 h. M. vaccae JOB5 also biodegraded 1,1-dichloroethylene, trans-1,2-dichloroethylene, cis-1,2-dichloroethylene, and vinyl chloride.

  12. Rotational reorientation dynamics of Aerosol-OT reverse micelles formed in near-critical propane

    SciTech Connect

    Heitz, M.P.; Bright, F.V.

    1996-06-01

    The rotational reorientation kinetics of two fluorescent solutes (rhodamine 6G, R6G, and rhodamine 101, R101) have been determined in sodium bis(2-ethylhexyl) sulfosuccinate (Aerosol-OT, AOT) reverse micelles formed in liquid and near-critical propane. We show that the amount of water loading ([water]/[AOT], R), continuous phase density, and temperature all influence the solute rotational dynamics. In all cases, the decay of anisotropy data (i.e., frequency-dependent differential polarized phase angle and polarized modulation ratio) are well described by a bi-exponential decay law. We find that the faster rotational correlation times are similar to but slightly less than the values predicted for an individual AOT reverse micelle rotating in propane. The recovered rotational correlation times range from 200 to 500 ps depending on experimental conditions. This faster rotational process is explained in terms of lateral diffusion of the fluorophore along the water/headgroup interfacial region within the reverse micelle. The recovered values for the slower rotational correlation times range from 7 to 18 ns. These larger rotational reorientation times are assigned to varying micelle-micelle (i.e., tail-tail) interactions in the low-density, highly compressible fluid region. We also quantify the contribution of the reverse micellar {open_quotes}aggregate{close_quotes} to the total decay of anisotropy. {copyright} {ital 1996} {ital Society for Applied Spectroscopy}

  13. Effects of Propane/Natural Gas Blended Fuels on Gas Turbine Pollutant Emissions

    SciTech Connect

    D. Straub; D. Ferguson; K. Casleton; G. Richards

    2006-03-01

    U.S. natural gas composition is expected to be more variable in the future. Liquefied natural gas (LNG) imports to the U.S. are expected to grow significantly over the next 10-15 years. Unconventional gas supplies, like coal-bed methane, are also expected to grow. As a result of these anticipated changes, the composition of fuel sources may vary significantly from existing domestic natural gas supplies. To allow the greatest use of gas supplies, end-use equipment should be able to accommodate the widest possible gas composition. For this reason, the effect of gas composition on combustion behavior is of interest. This paper will examine the effects of fuel variability on pollutant emissions for premixed gas turbine conditions. The experimental data presented in this paper have been collected from a pressurized single injector combustion test rig at the National Energy Technology Laboratory (NETL). The tests are conducted at 7.5 atm with a 589K air preheat. A propane blending facility is used to vary the Wobbe Index of the site natural gas. The results indicate that propane addition of about five (vol.) percent does not lead to a significant change in the observed NOx emissions. These results vary from data reported in the literature for some engine applications and potential reasons for these differences are discussed.

  14. Survey of microbial oxygenases: trichloroethylene degradation by propane-oxidizing bacteria.

    PubMed Central

    Wackett, L P; Brusseau, G A; Householder, S R; Hanson, R S

    1989-01-01

    Microorganisms that biosynthesize broad-specificity oxygenases to initiate metabolism of linear and branched-chain alkanes, nitroalkanes, cyclic ketones, alkenoic acids, and chromenes were surveyed for the ability to biodegrade trichloroethylene (TCE). The results indicated that TCE oxidation is not a common property of broad-specificity microbial oxygenases. Bacteria that contained nitropropane dioxygenase, cyclohexanone monooxygenase, cytochrome P-450 monooxygenases, 4-methoxybenzoate monooxygenase, and hexane monooxygenase did not degrade TCE. However, one new unique class of microorganisms removed TCE from incubation mixtures. Five Mycobacterium strains that were grown on propane as the sole source of carbon and energy degraded TCE. Mycobacterium vaccae JOB5 degraded TCE more rapidly and to a greater extent than the four other propane-oxidizing bacteria. At a starting concentration of 20 microM, it removed up to 99% of the TCE in 24 h. M. vaccae JOB5 also biodegraded 1,1-dichloroethylene, trans-1,2-dichloroethylene, cis-1,2-dichloroethylene, and vinyl chloride. PMID:2624467

  15. Comparison of Propane and Methane Performance and Emissions in a Turbocharged Direct Injection Dual Fuel Engine

    SciTech Connect

    Gibson, C. M.; Polk, A. C.; Shoemaker, N. T.; Srinivasan, K. K.; Krishnan, S. R.

    2011-01-01

    With increasingly restrictive NO x and particulate matter emissions standards, the recent discovery of new natural gas reserves, and the possibility of producing propane efficiently from biomass sources, dual fueling strategies have become more attractive. This paper presents experimental results from dual fuel operation of a four-cylinder turbocharged direct injection (DI) diesel engine with propane or methane (a natural gas surrogate) as the primary fuel and diesel as the ignition source. Experiments were performed with the stock engine control unit at a constant speed of 1800 rpm, and a wide range of brake mean effective pressures (BMEPs) (2.7-11.6 bars) and percent energy substitutions (PESs) of C 3 H 8 and CH 4. Brake thermal efficiencies (BTEs) and emissions (NO x, smoke, total hydrocarbons (THCs), CO, and CO 2) were measured. Maximum PES levels of about 80-95% with CH 4 and 40-92% with C 3 H 8 were achieved. Maximum PES was limited by poor combustion efficiencies and engine misfire at low loads for both C 3 H 8 and CH 4, and the onset of knock above 9 bar BMEP for C 3 H 8. While dual fuel BTEs were lower than straight diesel BTEs at low loads, they approached diesel BTE values at high loads. For dual fuel operation, NO x and smoke reductions (from diesel values) were as high as 66-68% and 97%, respectively, but CO and THC emissions were significantly higher with increasing PES at all engine loads

  16. Spectral and nonlinear optical studies of Propane-1, 3-diaminium nitrate

    NASA Astrophysics Data System (ADS)

    Ayadi, R.; Lhoste, J.; Ngo, H. M.; Ledoux-Rak, I.; Mhiri, T.; Boujelbene, M.

    2016-08-01

    Propane-1, 3-diaminium nitrate [C3H12N2] (NO3)2 (PDAN), an hybrid organic-inorganic nonlinear optical material combining an acentric octupolar moiety (nitrate) with a centrosymmetric organic molecule (Propane-1, 3-diaminium) was prepared by slow evaporation technique at room temperature from its aqueous solution. Good quality and well-developed crystals of size 0.133 mm×0.092 mm×0.078 mm were harvested from the mother solution. The grown single crystals were characterized for their spectral, thermal, linear and second order nonlinear optical properties. Solid-state 13C and 1H MAS-NMR spectroscopies are in agreement with the X-ray structure. The decomposition of the title compound is confirmed by the thermogravimetric analysis (TGA). The UV-visible absorption spectrum, show that PDAN is suitable for frequency doubling applications in a wide spectral range in the visible and near IR. The NLO response of the crystal was evaluated using a SHG powder technique, indicating an effective quadratic nonlinear coefficient two times higher than that of KDP in spite of the low hyperpolarizability of the nitrate ion and of the centrosymmetric character of the diaminium derivative.

  17. Absorption Reveals and Hydrogen Addition Explains New Interstellar Aldehydes: Propenal and Propanal

    NASA Technical Reports Server (NTRS)

    Hollis, J. M.; Jewell, P. R.; Lovas, F. J.; Remijan, A.; Mollendal, H.

    2004-01-01

    New interstellar molecules propenal (CH2CHCHO) and propanal (CH3CH2CHO) have been detected largely in absorption toward the star-forming region Sagittarius B2(N) by means of rotational transitions observed with the 100-m Green Bank Telescope (GBT) operating in the range of 18 GHz (lambda approximately 1.7 cm) to 26 GHz (lambda approximately 1.2 cm). The GBT was also used to observe the previously reported interstellar aldehyde propynal (HC2CHO) in Sagittarius B2(N) which is known for large molecules believed to form on interstellar grains. The presence of these three interstellar aldehydes toward Sagittarius B2(N) strongly suggests that simple hydrogen addition on interstellar grains accounts for successively larger molecular species: from propynal to propenal and from propenal to propanal. Energy sources within Sagittarius B2(N) likely permit the hydrogen addition reactions on grain surfaces to proceed. This work demonstrates that successive hydrogen addition is probably an important chemistry route in the formation of a number of complex interstellar molecules. We also searched for but did not detect the three-carbon sugar glyceraldehyde (CH2OHCHOHCHO).

  18. Role of tetrachloromethane as a gas-phase additive in the oxidative dehydrogenation of propane over cerium oxide

    SciTech Connect

    Sugiyama, Shigeru; Iizuka, Y.; Nitta, E.; Hayashi, H.; Moffat, J.B.

    2000-01-01

    In the absence of tetrachloromethane (TCM) carbon dioxide is the principal product formed in the oxidation of propane on ceria. The introduction of small partial pressures of TCM increases the conversion of propane with selectivities to propene up to 80%. Except under special circumstances no evidence of chlorinated species from TCM is found in the bulk structure while the surface region is shown to contain chlorine, although its form is not known. The enhancement of conversion and selectivity to propene is shown to be dependent upon the presence of chlorine, in whatever form, in the surface region of the catalyst.

  19. 75 FR 29435 - Diquat Dibromide; Pesticide Tolerances

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-05-26

    ... not limited to those engaged in the following activities: Crop production (NAICS code 111). Animal production (NAICS code 112). Food manufacturing (NAICS code 311). Pesticide manufacturing (NAICS code 32532...) 305-5805. II. Summary of Petitioned-For Tolerance In the Federal Register of February 4, 2010 (75...

  20. Identification of Methane, Ethane, and Propane Oxidizing Bacteria at Marine Hydrocarbon Seeps by Stable Isotope Probing

    NASA Astrophysics Data System (ADS)

    Redmond, M.; Ding, H.; Friedrich, M. W.; Valentine, D. L.

    2008-12-01

    Hydrocarbon seeps emit substantial amounts of oil and natural gas into the marine environment, where they can be oxidized by microorganisms in the sediment and water column. Here, we used stable isotope probing of DNA and lipid biomarkers to identify the microorganisms actively consuming 13C-labeled natural gas compounds in seep sediment samples. Surface sediment was collected from the Coal Oil Point seep field (offshore Santa Barbara, California, USA) and incubated under aerobic conditions with 13C labeled methane, ethane, or propane for up to 37 days, with sediment sub-samples taken at 3-4 intermediate time points. DNA was extracted from sediment and separated by CsCl density gradient centrifugation. The microbial community in each fraction was profiled using T-RFLP, and bacterial 16S rRNA gene clone libraries were constructed from un-incubated hydrocarbon seep sediment and selected isotopically 'heavy' (13C) and 'light' (12C) gradient fractions from ethane incubations. All clone libraries were dominated by sequences from members of the family Rhodobacteraceae (>25% of sequences) and a diverse group of Gammaproteobacteria, including sequences related to those of methylotrophs and to those of bacteria known to consume the longer-chain alkanes present in crude oil. After 14 days of incubation, the relative abundance of Rhodobacteraceae was higher in 'heavy' fractions from the 13C-ethane incubation than in 'light' fractions, suggesting incorporation of 13C label. The Rhodobacteraceae are very diverse metabolically, but have often been observed in abundance in oil contaminated seawater. Several members of this group have been shown to oxidize longer chain alkanes (C10 or higher), but none have been previously linked to the consumption of the gaseous alkanes ethane, propane, and butane. For the final time point, 13C content of phospholipid fatty acids (PLFA) were also analyzed, showing substantial incorporation of 13C over 37 days. In the methane incubation

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

    PubMed Central

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

    2013-01-01

    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 13C-labeled substrates, hybridizations with sequence-specific probes and nanoSIMS analyses showed that cells of the dominant phylotypes were the first to become enriched in 13C, 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. PMID:23254512

  2. New Whole-House Solutions Case Study: Hydronic Heating Coil Versus Propane Furnace, Rehoboth Beach, Delaware

    SciTech Connect

    2014-01-01

    In this project involving two homes, the IBACOS team evaluated the performance of the two space conditioning systems and the modeled efficiency of the two tankless domestic hot water systems relative to actual occupant use. Each house was built by Insight Homes and is 1,715-ft2 with a single story, three bedrooms, two bathrooms, and the heating, ventilation, and air conditioning systems and ductwork located in conditioned crawlspaces. The standard house, which the builder offers as its standard production house, uses an air source heat pump (ASHP) with supplemental propane furnace heating. The Building America test house uses the same ASHP unit with supplemental heat provided by the DHW heater (a combined DHW and hydronic heating system, where the hydronic heating element is in the air handler).

  3. Modification of Wood Pellets and Propane Co-firing in a Magnetic Field

    NASA Astrophysics Data System (ADS)

    Barmina, Inese; Zake, Maija; Krishko, Vera; Gedrovics, Martins

    2010-01-01

    When burning fossil fuels and renewable energy resources, greenhouse emissions (GHG) are emitted into the atmosphere. One of the options to reduce GHG emissions is to apply a magnetic field. The effect of a gradient magnetic field on the gasification of renewable fuel and the combustion of volatiles by applying the field to the bottom part of the swirl flame with recirculation is studied for the conditions of field-enhanced reverse heat and mass transfer of paramagnetic flame species up to the layer of wood pellets. The aim of research to investigate the magnetic field effect on swirling flame dynamics for the conditions of self-sustaining wood fuel combustion and by cofiring with propane flow.

  4. A metal-organic framework-based splitter for separating propylene from propane.

    PubMed

    Cadiau, A; Adil, K; Bhatt, P M; Belmabkhout, Y; Eddaoudi, M

    2016-07-01

    The chemical industry is dependent on the olefin/paraffin separation, which is mainly accomplished by using energy-intensive processes. We report the use of reticular chemistry for the fabrication of a chemically stable fluorinated metal-organic framework (MOF) material (NbOFFIVE-1-Ni, also referred to as KAUST-7). The bridging of Ni(II)-pyrazine square-grid layers with (NbOF5)(2-) pillars afforded the construction of a three-dimensional MOF, enclosing a periodic array of fluoride anions in contracted square-shaped channels. The judiciously selected bulkier (NbOF5)(2-) caused the looked-for hindrance of the previously free-rotating pyrazine moieties, delimiting the pore system and dictating the pore aperture size and its maximum opening. The restricted MOF window resulted in the selective molecular exclusion of propane from propylene at atmospheric pressure, as evidenced through multiple cyclic mixed-gas adsorption and calorimetric studies. PMID:27387945

  5. Effect of superficial velocity on vaporization pressure drop with propane in horizontal circular tube

    NASA Astrophysics Data System (ADS)

    Novianto, S.; Pamitran, A. S.; Nasruddin, Alhamid, M. I.

    2016-06-01

    Due to its friendly effect on the environment, natural refrigerants could be the best alternative refrigerant to replace conventional refrigerants. The present study was devoted to the effect of superficial velocity on vaporization pressure drop with propane in a horizontal circular tube with an inner diameter of 7.6 mm. The experiments were conditioned with 4 to 10 °C for saturation temperature, 9 to 20 kW/m2 for heat flux, and 250 to 380 kg/m2s for mass flux. It is shown here that increased heat flux may result in increasing vapor superficial velocity, and then increasing pressure drop. The present experimental results were evaluated with some existing correlations of pressure drop. The best prediction was evaluated by Lockhart-Martinelli (1949) with MARD 25.7%. In order to observe the experimental flow pattern, the present results were also mapped on the Wang flow pattern map.

  6. Carbon nanofibers modified with heteroatoms as metal-free catalysts for the oxidative dehydrogenation of propane.

    PubMed

    Marco, Yanila; Roldán, Laura; Muñoz, Edgar; García-Bordejé, Enrique

    2014-09-01

    Carbon nanofibres (CNFs) were modified with B and P by an ex situ approach. In addition, CNFs doped with N were prepared in situ using ethylenediamine as the N and C source. After calcination, the doped CNFs were used as catalysts for the oxidative dehydrogenation of propane. For B-CNFs, the effects of boron loading and calcination temperature on B speciation and catalytic conversion were studied. For the same reaction temperatures and conversions, B- and P-doped CNFs exhibited higher selectivities to propene than pristine CNFs. The N-CNFs were the most active but the least selective of the catalysts tested here. Our results also show that the type of P precursor affects the selectivity to propene and that CNFs modified using triphenylphosphine as the precursor provided the highest selectivity at isoconversion. PMID:25138580

  7. Experimental investigation on plasma-assisted combustion characteristics of premixed propane/air mixture

    NASA Astrophysics Data System (ADS)

    Liu, Xingjian; He, Liming; Yu, Jinlu; Zeng, Hao; Jin, Tao

    2015-06-01

    A detailed study on the plasma-assisted combustion (PAC) characteristics of premixed propane/air mixture is presented. The PAC is measured electrically, as well as optically with a multichannel spectrometer. The characteristics are demonstrated by stable combustion temperature and combustion stability limits, and the results are compared with conventional combustion (CC). Stable combustion temperature measurements show that the introduction of PAC into combustion system can increase the stable combustion temperature, and the increment is more notable with an increase of discharge voltage. Besides, the rich and weak limits of combustion stability are both enlarged when plasma is applied into the combustion process and the increase of discharge voltage results in the expansion of combustion stability limits as well. The measurements of temperature head and emission spectrum illustrate that the kinetic enhancement caused by reactive species in plasma is the main enhancement pathway for current combustion system.

  8. Autothermal reforming of propane over Mg-Al hydrotalcite-like catalysts.

    PubMed

    Lim, You-Soon; Park, Nam-Cook; Shin, Jae-Soon; Kim, Jong-Ho; Moon, Dong-Ju; Kim, Young-Chul

    2008-10-01

    The performance of hydrotalcite-like catalysts in propane autothermal reforming for hydrogen production was studied in fixed-bed flow reactor. Hydrotalcite-like catalysts were synthesized by coprecipitation and modified co-precipitation by the impregnation method and those were promoted by the addition of noble metals. Reaction test results indicated that hydrotalcite-like catalysts of modified method were showed higher H2-yield than co-precipitation method because surface Ni particles of catalysts by modified method were more abundant. When added noble metals, the activity was enhanced because the size of nickel particles was decreased and degree of dispersion was increased. Also the carbon deposit is low after the reaction. When solvent of solution was changed, activity was increased. It is because degree of dispersion was increased.

  9. Production of hydrogen by autothermal reforming of propane over Ni/delta-Al2O3.

    PubMed

    Lee, Hae Ri; Lee, Kwi Yeon; Park, Nam Cook; Shin, Jae Soon; Moon, Dong Ju; Lee, Byung Gwon; Kim, Young Chul

    2006-11-01

    The performance of Ni/delta-Al2O3 catalyst in propane autothermal reforming (ATR) for hydrogen production was investigated in the present study. The catalysts were characterized using XRD, TEM, and SEM. The activity of the Ni/delta-Al2O3 catalyst manufactured by the water-alcohol method was better than those of the catalysts manufactured by the impregnation and chemical reduction methods. The Ni/delta-Al2O3 catalysts were modified by the addition of promoters such as Mg, La, Ce, and Co, in order to improve their stability and yield. Hydrogen production was the largest for the Ni-Co-CeO2/Al2O3, catalyst.

  10. Flamelet modelling of propane--air chemistry in turbulent non-premixed combustion

    SciTech Connect

    Askari-Sardhai, A.; Liew, S.K.; Moss, J.B.

    1985-01-01

    This short paper describes the application of the flamelet modelling approach to the prediction of the species concentration field in a turbulent propane-air flame. The structure of the laminar flamelet, the microscopic element in the model, is computed using a semi-global expression for fuel disappearance in conjunction with an established reaction scheme for the oxidation of CO and H/sub 2/. Detailed predictions for a turbulent jet-flame are compared with available experimental data. The significant measure of non-equilibrium which the flamelet introduces leads to substantial improvements in the prediction of CO, H/sub 2/, and C/sub 3/H/sub 8/ mass fractions in comparison with the simplest alternative model, that of full chemical equilibrium.

  11. Hydrothermal synthesis of new wolframite type trimetallic materials and their use in oxidative dehydrogenation of propane.

    PubMed

    Salamanca, Maurin; Licea, Yordy E; Echavarría, Adriana; Faro, Arnaldo C; Palacio, Luz A

    2009-11-01

    With the aim of obtaining materials with properties for use as catalysts, two new trimetallic oxides containing Co or Ni and Mo and W were synthesized by a hydrothermal method, using milder conditions than those normally used for wolframite type solids. They were characterized by X-ray diffraction, Fourier transformed infrared spectroscopy, laser Raman spectroscopy, temperature-programmed reduction and atomic absorption spectroscopy, indicating that pure wolframite phases were formed. The X-ray diffraction studies confirmed the formation of the structure in the monoclinic system with cell parameters similar to nickel tungsten wolframite. The laser Raman and infrared spectra showed differences among the samples, mainly due to the incorporation of molybdenum atoms in the wolframite structure. Incorporation of molybdenum in the catalysts improved catalytic activity for propane oxidative dehydrogenation, and lower reaction temperatures were required in order to obtain similar propene yields as in bimetallic tungsten wolframites.

  12. Preparation of nanoporous graphene and the application of its nanocomposite membrane in propylene/propane separation

    NASA Astrophysics Data System (ADS)

    Sun, Hai-Xiang; Yuan, Bing-Bing; Li, Peng; Wang, Tao; Xu, Yan-Yan

    2015-11-01

    Chemically reduced graphene oxide containing hydroxyl groups and a wide size distribution of nanopores was prepared by a facile one-pot hydrothermal method. The resulting material was characterized by transmission electron microscopy (TEM), Raman spectroscopy, surface area measurement and attenuated total reflection infrared spectroscopy (ATR-FTIR), respectively. It was found that this reduced graphene oxide exhibited more clear nanopores and hydroxyl groups in the basal plane. Then the morphologies of the nanocomposite membrane incorporated into the nanoporous graphene were investigated through scanning electron microscopy (SEM), and the permeation test also was performed. Notably, the results showed that the nanocomposite membrane had a homogenous morphology and a better performance (separation factor 11.09) than polymer membrane in the separation of propylene/propane. This work demonstrates that nanoporous graphene exhibits great potential in the field of olefin/paraffin separation.

  13. Roaming mediated nonadiabatic dynamics in molecular hydrogen elimination from propane at 157 nm

    NASA Astrophysics Data System (ADS)

    Rauta, Akshaya Kumar; Maiti, Biswajit

    2016-09-01

    The photofragmentation dynamics study using Tully's fewest switches trajectory surface hopping calculations, based on MRCIS(6, 6)/6-31++G∗∗ potential energy surfaces, energy gradients and nonadiabatic couplings, reveals the occurrence of roaming mediated nonadiabatic pathways for the elimination of molecular hydrogen from propane at 157 nm. 1,2- and 1,3-molecular hydrogen eliminations, the minor dissociation channels, exclusively follow roaming (of partially dissociated H atom) mediated nonadiabatic pathway (S1 → S0) to the ground electronic state followed by an atomic hydrogen abstraction from another carbon atom in the ground singlet (S0) state. 1,1- and 2,2-molecular hydrogen eliminations on the other hand, the major dissociation processes, proceed either adiabatically in the first excited singlet (S1) electronic state or through the internal conversion S1 → S0 followed by direct two-body fragmentation in the ground singlet (S0) state, with equal probability.

  14. Numerical simulation of Jet-A combustion approximated by improved propane chemical kinetics

    NASA Technical Reports Server (NTRS)

    Ying, Shuh-Jing; Nguyen, Hung Lee

    1991-01-01

    Through the effort devoted to the chemical kinetics for propane air combustion, three mechanisms are developed. The full mechanism consists of 131 reactions. This mechanism is used as a guide for the evaluation of other mechanisms, but because of the long expected cpu time, it is not to be incorporated into the computer code KIVA-II for actual simulation. Through the sensitivity analysis, a reduced mechanism of 45 reactions is produced. But the calculated results from the 45 reaction mechanism are always low in temperature. Some efforts are devoted to correct this situation and details are included in this report. A simplified mechanism of reactions is successfully improved and computed results are compared with experimental data. Contour plots of physical parameters and species concentrations and results for emission indices of CO and NOx are presented.

  15. Vapor-liquid equilibria for the binary difluoromethane (R-32) + propane (R-290) mixture

    SciTech Connect

    Higashi, Y. . Dept. of Mechanical Engineering)

    1999-03-01

    The vapor-liquid equilibrium of the mixture composed of difluoromethane (R-32) and propane (R-290) was studied in the temperature range between 273.15 and 313.15 K. The experimental uncertainties of temperature, pressure, and composition measurements were estimated to be within [+-]10 mK, [+-]3 kPa, and [+-]0.4 mol%, respectively. Comparisons between the present data and available experimental data were made using the Helmholz free energy mixture model (HMM) adopted in the thermophysical properties program package, REFPOP 6.0, as a baseline. In addition, the existence of an azeotrope and the determination of new adjustable parameters for HMM for the R-32 + R-290 mixture are discussed.

  16. Vapor-liquid equilibria for the binary difluoromethane (R-32) + propane (R-290) mixture

    SciTech Connect

    Higashi, Y.

    1999-03-01

    The vapor-liquid equilibrium of the mixture composed of difluoromethane (R-32) and propane (R-290) was studied in the temperature range between 273.15 and 313.15 K. The experimental uncertainties of temperature, pressure, and composition measurements were estimated to be within {+-}10 mK, {+-}3 kPa, and {+-}0.4 mol%, respectively. Comparisons between the present data and available experimental data were made using the Helmholz free energy mixture model (HMM) adopted in the thermophysical properties program package, REFPOP 6.0, as a baseline. In addition, the existence of an azeotrope and the determination of new adjustable parameters for HMM for the R-32 + R-290 mixture are discussed.

  17. Gene structure and regulation of alkane monooxygenases in propane-utilizing Mycobacterium sp. TY-6 and Pseudonocardia sp. TY-7.

    PubMed

    Kotani, Tetsuya; Kawashima, Yui; Yurimoto, Hiroya; Kato, Nobuo; Sakai, Yasuyoshi

    2006-09-01

    Mycobacterium sp. TY-6 and Pseudonocardia sp. TY-7 were isolated from soil samples as propane-utilizing bacteria and were found to be able to utilize various gaseous and liquid n-alkanes as carbon and energy sources. One gene cluster, M-prmABCD, and two gene clusters, P-prm1ABCD and P-prm2ABCD, were cloned from the genomes of Mycobacterium sp. TY-6 and Pseudonocardia sp. TY-7, respectively. These gene clusters are homologous to the gene cluster encoding the multicomponent propane monooxygenase (prmABCD) of Gordonia sp. TY-5. The expression of prm gene clusters in Mycobacterium sp. TY-6 and Pseudonocardia sp. TY-7 was shown to be induced by gaseous n-alkanes (C2-C4) except methane, suggesting that the products of these genes are involved in gaseous n-alkane oxidation. Homologous genes for an alkane hydroxylase system (alk system) involved in liquid n-alkane oxidation were also cloned from the genomic DNA of Mycobacterium sp. TY-6. The alk gene cluster was transcribed in response to liquid n-alkanes (C11-C15). These results indicate that Mycobacterium sp. TY-6 has two distinct gene clusters for multicomponent monooxygenases involved in alkane oxidation. Whole-cell reactions revealed that propane is oxidized to 1-propanol through terminal oxidation in Mycobacterium sp. TY-6 and that propane is oxidized to 1-propanol and 2-propanol through both terminal and subterminal oxidations in Pseudonocardia sp. TY-7. This study reveals the diversity of propane metabolism present in microorganisms. PMID:17046531

  18. The effect of acoustics on an ethanol spray flame in a propane-fired pulse combustor

    SciTech Connect

    Dubey, R.K.; Black, D.L.; McQuay, M.Q.; Carvalho, J.A. Jr.

    1997-07-01

    The influence of an acoustic field on the combustion characteristics of a hydrogen-stabilized ethanol spray flame has been experimentally investigated using a phase-Doppler particle analyzer in a propane-fired, Rijke-tube, pulse combustor. The controlled sinusoidal acoustic field in the combustor had a sound pressure level of 155 dB and a frequency of 80 Hz. Experiments were performed to study the effect of oscillations on Sauter-mean and arithmetic-mean diameters, droplet velocity, and droplet number density for the present operating conditions of the Rijke-tube combustor. Similar measurements were also performed on a water spray in the propane-fired reactor to study the effect of the acoustic field on the atomization process for the nozzle type used. Spectral analysis of the droplet axial velocity component for the oscillating conditions revealed a dominant frequency equal to the frequency of the sinusoidal acoustic wave in the combustor. The Sauter-mean diameter of the ethanol spray decreased by 15%, on average, in the presence of the acoustic field because of enhanced evaporation, while the droplet arrival rate at the probe volume increased due to changes in the flame structure. Analysis of the measured size distributions indicated that under an oscillating flow there was a larger population of droplets in the diameter range of 3--20 {micro}m. Experiments conducted with the water spray indicated that the oscillations did affect droplet size distributions in the ethanol spray due to enhanced evaporation caused by the relocation of the flame front inside and around the spray cone.

  19. Prediction of equilibrium distributions of isotopologues for methane, ethane and propane using density functional theory

    NASA Astrophysics Data System (ADS)

    Piasecki, Alison; Sessions, Alex; Peterson, Brian; Eiler, John

    2016-10-01

    Many previous studies have examined abundances of deuterium (D) and 13C within small organic molecules. Recent advances in analytical instrumentation add the abilities to measure site-specific and multiply substituted isotopologues of natural organics. Here we perform first-principles calculations of the equilibrium distributions of 13C and D in the volatile alkanes (including both single and multiple substitutions), as a guide to the interpretation of current measurements and as a basis for anticipating isotope effects that might be examined with future analytical techniques. The models we present illustrate several common themes of the isotopic structures of the small alkanes, including; temperature dependent enrichment of clumped isotope species, with amplitudes in the order D-D > 13C-D > 13C-13C; similarity in strength of such clumped isotope effects between different molecules (e.g., 13C-D clumping is ∼5‰ enriched at 300 K in methane, ethane and propane); a ∼10× contrast between the amplitudes of stronger adjacent substitution of two heavy isotopes vs. weaker non-adjacent substitution; temperature-dependent site-specific fractionation of D and 13C into interior positions of molecules relative to terminal methyl groups; and a relatively simple additive effect to the overall amplitude of enrichment when clumped and site specific effects combine in the same isotopologue. We suggest that the most promising tools suggested by our results are isotopic thermometers based on site-specific distribution of deuterium, which exhibits strong (∼100‰), highly temperature dependent fractionation between methyl groups and methylene carbon positions in propane (and likely other larger n-alkanes).

  20. [Smog chamber simulation of ozone formation from atmospheric photooxidation of propane].

    PubMed

    Huang, Li-hua; Mo, Chuang-rong; Xu, Yong-fu; Jia, Long

    2012-08-01

    Atmospheric photochemical reactions of propane and NO, were simulated with a self-made smog chamber. The effects of relative humidity (RH) and [C3H8]0/[NOx]0 ratio on ozone formation were studied. The results showed that both the maximum ozone concentration and the maximum value of incremental reactivity (IRmax) of propane decreased linearly with increasing RH. Under lower RH conditions, the occurrence time of peak ozone concentration was about 22 h after the beginning of reaction, and IRmax varied from 0.0231 to 0.0391, while under higher RH conditions the occurrence time of peak ozone concentration was 16 h, and IRmax ranged from 0.0172 to 0.0320. During the 20 h of reaction, within the first 12 h RH did not significantly affect the yield of acetone, whereas after 12 h the lower RH condition could lead to relatively greater amount of acetone. During the first 4-20 h of experiments, acetone concentrations ranged from 153 x 10(-9) to 364 x 10(-9) at 17% RH and from 167 x 10(-9) to 302 x 10(-9) at 62% RH, respectively. Maximum ozone concentrations decreased with increasing [C3H8]0/[NOx]0 ratio and a better negative linear relationship between them was obtained under the lower RH conditions. The smog chamber data and the results from simulation of the C3H8-NOx reactions using the sub-mechanism of MCM were compared, and a significant deviation was found between these two results.

  1. Synthesis and Characterization of Gold Clusters Ligated with 1,3-Bis(dicyclohexylphosphino)propane

    SciTech Connect

    Johnson, Grant E.; Priest, Thomas A.; Laskin, Julia

    2013-09-01

    In this multidisciplinary study we combine chemical reduction synthesis of novel gold clusters in solution with high-resolution analytical mass spectrometry (MS) to gain insight into the composition of the gold clusters and how their size, ionic charge state and ligand substitution influences their gas-phase fragmentation pathways. Ultra small cationic gold clusters ligated with 1,3-bis(dicyclohexylphosphino)propane (DCPP) were synthesized for the first time and introduced into the gas phase using electrospray ionization (ESI). Mass-selected cluster ions were fragmented employing collision induced dissociation (CID) and the product ions were analysed using MS. The solutions were found to contain the multiply charged cationic gold clusters Au9L43+, Au13L53+, Au6L32+, Au8L32+ and Au10L42+ (L = DCPP). The gas-phase fragmentation pathways of these cluster ions were examined systematically employing CID combined with MS. In addition, CID experiments were performed on related gold clusters of the same size and ionic charge state but capped with 1,3-bis(diphenylphosphino)propane (DPPP) ligands containing phenyl functional groups at the two phosphine centers instead of cyclohexane rings. It is shown that this relatively small change in the molecular substitution of the two phosphine centers in diphosphine ligands (C6H11 versus C6H5) exerts a pronounced influence on the size of the species that are preferentially formed in solution during reduction synthesis as well as the gas-phase fragmentation channels of otherwise identical gold cluster ions. The mass spectrometry results indicate that in addition to the length of the alkyl chain between the two phosphine centers, the substituents at the phosphine centers also play a crucial role in determining the composition, size and stability of diphosphine ligated gold clusters synthesized in solution.

  2. Aerobic treatment of N-nitrosodimethylamine in a propane-fed membrane bioreactor.

    PubMed

    Hatzinger, Paul B; Condee, Charles; McClay, Kevin R; Paul Togna, A

    2011-01-01

    N-Nitrosodimethylamine (NDMA) is a suspected human carcinogen that has recently been detected in wastewater, groundwater and drinking water. Treatment of this compound to low part-per-trillion (ng/L) concentrations is required to mitigate cancer risk. Current treatment generally entails UV irradiation, which while effective, is also expensive. The objective of this research was to explore potential bioremediation strategies as alternatives for treating NDMA to ng/L concentrations. Batch studies revealed that the propanotroph Rhodococcus ruber ENV425 was capable of metabolizing NDMA from 8 μg/L to <2 ng/L after growth on propane, and that the strain produced metabolites that do not pose a significant risk at the concentrations generated (Fournier et al., 2009). A laboratory-scale membrane bioreactor (MBR) was subsequently constructed to evaluate the potential for long-term ex situ treatment of NDMA. The MBR was seeded with ENV425 and received propane as the primary growth substrate and oxygen as an electron acceptor. At an average influent NDMA concentration of 7.4 μg/L and a 28.5 h hydraulic residence time, the reactor effluent concentration was 3.0 ± 2.3 ng/L (>99.95% removal) over more than 70 days of operation. The addition of trichloroethene (TCE) to the reactor resulted in a significant increase in effluent NDMA concentrations, most likely due to cell toxicity from TCE-epoxide produced during its cometabolic oxidation by ENV425. The data suggest that an MBR system can be a viable treatment option for NDMA in groundwater provided that high concentrations of TCE are not present. PMID:20701948

  3. Flame Inhibition by Phosphorus-Containing Compounds in Lean and Rich Propane Flames

    SciTech Connect

    Curran, H; Korobeinichev, O P; Shvartsberg, V M; Shmakov, A G; Bolshova, T A; Jayaweera, T M; Melius, C F; Pitz, W J; Westbrook, C K

    2003-12-19

    Chemical inhibition of laminar propane flames by organophosphorus compounds has been studied experimentally, using a laboratory Mache Hebra nozzle burner and a flat flame burner with molecular beam mass spectrometry (MBMS), and with a computational flame model using a detailed chemical kinetic reaction mechanism. Both fuel-lean and fuel-rich propane flames were studied to examine the role of equivalence ratio in flame inhibition. The experiments examined a wide variety of organophosphorus compounds. We report on the experimental species flame profiles for tri-methyl phosphate (TMP) and compare them with the species flame profile results from modeling of TMP and di-methyl methyl phosphonate (DMMP). Both the experiments and kinetic modeling support and illustrate previous experimental studies in both premixed and non-premixed flames that inhibition efficiency is effectively the same for all of the organophosphorus compounds examined, independent of the molecular structure of the initial inhibitor molecule. The chemical inhibition is due to reactions involving the small P-bearing species HOPO{sub 2} and HOPO that are produced by the organophosphorus compounds (OPCs). The ratios of the HOPO{sub 2} and HOPO concentrations differ between the lean and rich flames, with HOPO{sub 2} dominant in lean flames while HOPO dominates in rich flames. The resulting HOPO{sub 2} and HOPO species profiles do not depend significantly on the initial source of the HOPO{sub 2} and HOPO and thus are relatively insensitive to the initial OPC inhibitor. A more generalized form of the original Twarowski mechanism for hydrocarbon radical recombination is developed to account for the results observed, and new theoretical values have been determined for heats of formation of the important P-containing species, using the BAC-G2 method.

  4. Third order optical nonlinearity and optical limiting studies of propane hydrazides

    NASA Astrophysics Data System (ADS)

    Naseema, K.; Manjunatha, K. B.; Sujith, K. V.; Umesh, G.; Kalluraya, Balakrishna; Rao, Vijayalakshmi

    2012-09-01

    Four hydrazones, 2-(4-isobutylphenyl)-N'-[phenylmethylene] propanehydrazide (P1), 2-(4-isobutylphenyl)-N'-[(4- tolyl)methylene] propane hydrazide (P2), 2-(4-isobutylphenyl)-N'-[1-(4- chlorophenyl)ethylidene] propanehydrazide (P3) and 2-(4-isobutylphenyl)-N'-[1-(4-Nitrrophenyl)ethylidene] propane hydrazide (P4) were synthesized and their third order nonlinear optical properties have been investigated using a single beam Z-scan technique with nanosecond laser pulses at 532 nm. The measurement on the compound-P1 is not reported as there is no detectable nonlinear response. Open aperture data of the other three compounds indicate two photon absorption at this wavelength. The nonlinear refractive index n2, nonlinear absorption coefficient β, magnitude of effective third order susceptibility χ(3), the second order hyperpolarizability γh and the coupling factor ρ have been estimated. The values obtained are comparable with the values obtained for 4-methoxy chalcone derivatives and dibenzylideneacetone derivatives. The experimentally determined values of β, n2, Re χ(3) and Im χ(3), γh and ρ of the compound-P4 are 1.42 cm/GW, -0.619 × 10-11 esu, -0.663 × 10-13 esu, 0.22 × 10-13 esu, 0.34 × 10-32 esu and 0.33 respectively. Further the compound-P4 exhibited the best optical power limiting behavior at 532 nm among the compounds studied. Our studies suggest that compounds P2, P3 and P4 are potential candidates for the optical device applications such as optical limiters and optical switches.

  5. Multiscale Informatics for Low-Temperature Propane Oxidation: Further Complexities in Studies of Complex Reactions.

    PubMed

    Burke, Michael P; Goldsmith, C Franklin; Klippenstein, Stephen J; Welz, Oliver; Huang, Haifeng; Antonov, Ivan O; Savee, John D; Osborn, David L; Zádor, Judit; Taatjes, Craig A; Sheps, Leonid

    2015-07-16

    The present paper describes further development of the multiscale informatics approach to kinetic model formulation of Burke et al. (Burke, M. P.; Klippenstein, S. J.; Harding, L. B. Proc. Combust. Inst. 2013, 34, 547-555) that directly incorporates elementary kinetic theories as a means to provide reliable, physics-based extrapolation of kinetic models to unexplored conditions. Here, we extend and generalize the multiscale informatics strategy to treat systems of considerable complexity-involving multiwell reactions, potentially missing reactions, nonstatistical product branching ratios, and non-Boltzmann (i.e., nonthermal) reactant distributions. The methodology is demonstrated here for a subsystem of low-temperature propane oxidation, as a representative system for low-temperature fuel oxidation. A multiscale model is assembled and informed by a wide variety of targets that include ab initio calculations of molecular properties, rate constant measurements of isolated reactions, and complex systems measurements. Active model parameters are chosen to accommodate both "parametric" and "structural" uncertainties. Theoretical parameters (e.g., barrier heights) are included as active model parameters to account for parametric uncertainties in the theoretical treatment; experimental parameters (e.g., initial temperatures) are included to account for parametric uncertainties in the physical models of the experiments. RMG software is used to assess potential structural uncertainties due to missing reactions. Additionally, branching ratios among product channels are included as active model parameters to account for structural uncertainties related to difficulties in modeling sequences of multiple chemically activated steps. The approach is demonstrated here for interpreting time-resolved measurements of OH, HO2, n-propyl, i-propyl, propene, oxetane, and methyloxirane from photolysis-initiated low-temperature oxidation of propane at pressures from 4 to 60 Torr and

  6. Effect of ceria on hydrogen production by auto-thermal reforming of propane over supported nickel catalysts.

    PubMed

    Kim, Woo Ri; Ahn, Ho Geun; Shin, Jae Soon; Kim, Young Chul; Moon, Dong Ju; Park, Nam Cook

    2013-01-01

    Autothermal reforming of propane was studied with respect to the addition of ceria to the supported Ni catalysts. Ni/Al2O3 catalysts showed a higher activity than Ni/MgAl catalysts. It was related to the ease of the catalyst reduction. Ni/Ce/MgAl and Ni/Ce/Al2O3 catalysts showed higher propane conversions and higher hydrogen yields. These were related to the particle size and the reducibilities of the catalysts. XRD analysis showed that the added CeO2 decreased the particle sizes of the supported Ni, but increased the amount of NiO on the catalyst surface, thus it improved the resistance to coking. PMID:23646791

  7. Measurements of Rate Coefficients for Reactions of OH with Ethanol and Propan-2-ol at Very Low Temperatures.

    PubMed

    Caravan, Rebecca L; Shannon, Robin J; Lewis, Thomas; Blitz, Mark A; Heard, Dwayne E

    2015-07-16

    The low temperature kinetics of the reactions of OH with ethanol and propan-2-ol have been studied using a pulsed Laval nozzle apparatus coupled with pulsed laser photolysis-laser-induced fluorescence (PLP-LIF) spectroscopy. The rate coefficients for both reactions have been found to increase significantly as the temperature is lowered, by approximately a factor of 18 between 293 and 54 K for ethanol, and by ∼10 between 298 and 88 K for OH + propan-2-ol. The pressure dependence of the rate coefficients provides evidence for two reaction channels: a zero pressure bimolecular abstraction channel leading to products and collisional stabilization of a weakly bound OH-alcohol complex. The presence of the abstraction channel at low temperatures is rationalized by a quantum mechanical tunneling mechanism, most likely through the barrier to hydrogen abstraction from the OH moiety on the alcohol.

  8. Three cases of sudden death due to butane or propane gas inhalation: analysis of tissues for gas components.

    PubMed

    Sugie, Hideaki; Sasaki, Chizuko; Hashimoto, Chikako; Takeshita, Hiroshi; Nagai, Tomonori; Nakamura, Shigeki; Furukawa, Masataka; Nishikawa, Takashi; Kurihara, Katsuyoshi

    2004-07-16

    We report three cases of sudden death due to inhalation of portable cooking stove fuel (case 1), cigarette lighter fuel (case 2), and liquefied petroleum gas (LPG) (case 3). Specimens of blood, urine, stomach contents, brain, heart, lung, liver, kidney, and fat were collected and analyzed for propylene, propane, isobutane, and n-butane by headspace gas chromatography. n-Butane was the major substance among the volatiles found in the tissues of cases 1 and 2, and propane was the major substance in case 3. A combination of the autopsy findings and the gas analysis results revealed that the cause of death was ventricular fibrillation induced by hard muscle exercise after gas inhalation in cases 1 and 2, and that the cause of death in case 3 might be hypoxia. It is possible that the victim in case 3 was under anesthetic toxicity of accumulated isobutane which is a minor component of liquefied petroleum gas.

  9. Use of propane as a quench gas in argon-filled proportional counters and comparison with other quench gases

    NASA Technical Reports Server (NTRS)

    Agrawal, P. C.; Ramsey, B. D.

    1988-01-01

    An experimental investigation of propane and six other quench gases was carried out in argon-filled proportional counters. The objective of the study was to find the best gas mixture for optimizing the gas gain and the energy resolution as well as to understand the role of the ionization potential of quench gases in determining these parameters. It was found that the best gas gains and energy resolutions are obtained with propane, ethane, and isobutane in that order. The ionization potentials of these three lie below the argon metastable potentials and have the lowest value of resonance defect compared to the other quench gases. The better results obtained with these mixtures can be explained by an increased ionization yield resulting from the Penning effect. Propylene and trans-2-butene give inferior performance compared to the above three gases. Methane and carbon dioxide, the most commonly used quench gases in the argon-filled detectors, provide the worst results.

  10. Study of GaN doping with carbon from propane in a wide range of MOVPE conditions

    NASA Astrophysics Data System (ADS)

    Lundin, W. V.; Sakharov, A. V.; Zavarin, E. E.; Kazantsev, D. Yu.; Ber, B. Ya.; Yagovkina, M. A.; Brunkov, P. N.; Tsatsulnikov, A. F.

    2016-09-01

    Complex studies of intentional GaN carbon doping from propane during MOVPE were performed in a wide range of growth conditions. A strong dependence of carbon doping efficiency on growth rate and ammonia flow is revealed, while dependence of carbon doping efficiency on reactor pressure is small. Atomic force microscopy confirms the good quality of the GaN:C layers for doping levels as high as 2*1019 cm-3 grown with growth rate up to 45 μm/h. The dependence of carbon incorporation into GaN is proportional to the propane concentration to the power 3/2 in most growth regimes, but for very high growth rate a linear or sub-linear component of the dependence becomes prominent.

  11. Calculations of NMR properties for sI and sII clathrate hydrates of methane, ethane and propane.

    PubMed

    Siuda, Paweł; Sadlej, Joanna

    2014-12-01

    Calculations of NMR parameters (the absolute shielding constants and the spin-spin coupling constants) for 5(12), 5(12)6(2) and 5(12)6(4) cages enclathrating CH4, C2H6 and C3H8 molecules are presented. The DFT/B3LYP/HuzIII-su3 level of theory was employed. The (13)C shielding constants of guest molecules are close to available experimental data. In two cases (the ethane in 5(12) and the propane in 5(12)6(2) cages) the (13)C shielding constants are reported for the first time. Inversion of the methyl/methylene (13)C and (1)H shielding constants order is found for propane in the 5(12)6(2) cage. Topological criteria are used to interpret the changes of values of NMR parameters of water molecules and they establish a connection between single cages and bulk crystal.

  12. Flame behaviors of propane/air premixed flame propagation in a closed rectangular duct with a 90-deg bend

    NASA Astrophysics Data System (ADS)

    He, Xuechao; Sun, Jinhua; Yuen, K. K.; Ding, Yibin; Chen, Sining

    2008-11-01

    Experiments of flame propagation in a small, closed rectangular duct with a 90° bend were performed for a propane-air mixture. The high speed camera and Schlieren techniques were used to record images of flame propagation process in the combustion pipe. Meanwhile, the fine thermocouples and ion current probes were applied to measure the temperature distribution and reaction intensity of combustion. The characteristics of propane-air flame and its microstructure were analyzed in detail by the experimental results. In the test, the special tulip flame formation was observed. Around the bend, the flame tip proceeded more quickly at the lower side with the flame front elongated toward the axial direction. And transition to turbulent flame occurred. It was suggested that fluctuations of velocity, ion current and temperature were mainly due to the comprehensive effects of multi-wave and the intense of turbulent combustion.

  13. Effect of Initial Mixture Temperature on Flame Speed of Methane-Air, Propane-Air, and Ethylene-Air Mixtures

    NASA Technical Reports Server (NTRS)

    Dugger, Gordon L

    1952-01-01

    Flame speeds based on the outer edge of the shadow cast by the laminar Bunsen cone were determined as functions of composition for methane-air mixtures at initial mixture temperatures ranging from -132 degrees to 342 degrees c and for propane-air and ethylene-air mixtures at initial mixture temperatures ranging from -73 degrees to 344 degrees c. The data showed that maximum flame speed increased with temperature at an increasing rate. The percentage change in flame speed with change in initial temperature for the three fuels followed the decreasing order, methane, propane, and ethylene. Empirical equations were determined for maximum flame speed as a function of initial temperature over the temperature range covered for each fuel. The observed effect of temperature on flame speed for each of the fuels was reasonably well predicted by either the thermal theory as presented by Semenov or the square-root law of Tanford and Pease.

  14. Propane tank explosion (2 deaths, 7 injuries) at Herrig Brothers Feather Creek Farm, Albert City, Iowa, April 9, 1998. Investigation report

    SciTech Connect

    1999-09-01

    This report explains the explosion/BLEVE that took place on April 9, 1998, at the Herrig Brothers Feather Creek Farm, located in Albert City, Iowa. Two volunteer fire fighters were killed and seven other emergency response personnel were injured. Safety issues covered in the report include protection of propane storage tanks and piping, state regulatory oversight of such installations, and fire fighter response to propane storage tank fires.

  15. Electrochemical promotion of propane oxidation on Pt deposited on a dense β″-Al2O3 ceramic Ag+ conductor

    PubMed Central

    Tsampas, Mihalis N.; Kambolis, Anastasios; Obeid, Emil; Lizarraga, Leonardo; Sapountzi, Foteini M.; Vernoux, Philippe

    2013-01-01

    A new kind of electrochemical catalyst based on a Pt porous catalyst film deposited on a β″-Al2O3 ceramic Ag+ conductor was developed and evaluated during propane oxidation. It was observed that, upon anodic polarization, the rate of propane combustion was significantly electropromoted up to 400%. Moreover, for the first time, exponential increase of the catalytic rate was evidenced during galvanostatic transient experiment in excellent agreement with EPOC equation. PMID:24790942

  16. Anomalous reactivity of supported V2O5 nanoparticles for propane oxidative dehydrogenation: influence of the vanadium oxide precursor.

    PubMed

    Carrero, Carlos A; Keturakis, Christopher J; Orrego, Andres; Schomäcker, Reinhard; Wachs, Israel E

    2013-09-21

    The oxidative dehydrogenation (ODH) of propane to propylene by supported vanadia catalysts has received much attention in recent years, but different reactivity trends have been reported for this catalytic reaction system. In the present investigation, the origin of these differing trends are investigated with synthesis of supported V/SiO2, V/TiO2, and V/Al2O3 catalysts prepared with three different vanadium oxide precursors (2-propanol/vanadyl triisopropoxide [VO(O-Pri)3] (VTI), oxalic acid/ammonium metavanadate [NH4VO3] (AMV), and toluene/vanadyl acetylacetonate [VO(C5H7O2)2] (VAA)) in order to elucidate the influence of the precursor on supported vanadia phase and propane ODH activity. In situ Raman spectroscopy revealed that the choice of vanadium precursor does not affect the dispersion of the supported vanadium oxide phase below 4 V nm(-2) (0.5 monolayer coverage), where only isolated and oligomeric surface VO4 species are present, and only the AMV precursor favors crystalline V2O5 nanoparticle (NP) formation below monolayer coverage (8 V nm(-2)). The propane ODH specific reactivity trend demonstrated that there is no significant difference in TOF for the isolated and oligomeric surface VO4 sites. Surprisingly, V2O5 NPs in the ∼1-2 nm range exhibit anomalously high propane ODH TOF values for the supported vanadia catalysts. This was found for all supported vanadium oxide catalysts examined. This comparative study with different V-precursors and synthesis methods and oxide supports finally resolves the debate in the catalysis literature about the dependence of TOF on the surface vanadium density that is related to the unusually high reactivity of small V2O5 NPs.

  17. Identification of Novel Methane-, Ethane-, and Propane-Oxidizing Bacteria at Marine Hydrocarbon Seeps by Stable Isotope Probing ▿ †

    PubMed Central

    Redmond, Molly C.; Valentine, David L.; Sessions, Alex L.

    2010-01-01

    Marine hydrocarbon seeps supply oil and gas to microorganisms in sediments and overlying water. We used stable isotope probing (SIP) to identify aerobic bacteria oxidizing gaseous hydrocarbons in surface sediment from the Coal Oil Point seep field located offshore of Santa Barbara, California. After incubating sediment with 13C-labeled methane, ethane, or propane, we confirmed the incorporation of 13C into fatty acids and DNA. Terminal restriction fragment length polymorphism (T-RFLP) analysis and sequencing of the 16S rRNA and particulate methane monooxygenase (pmoA) genes in 13C-DNA revealed groups of microbes not previously thought to contribute to methane, ethane, or propane oxidation. First, 13C methane was primarily assimilated by Gammaproteobacteria species from the family Methylococcaceae, Gammaproteobacteria related to Methylophaga, and Betaproteobacteria from the family Methylophilaceae. Species of the latter two genera have not been previously shown to oxidize methane and may have been cross-feeding on methanol, but species of both genera were heavily labeled after just 3 days. pmoA sequences were affiliated with species of Methylococcaceae, but most were not closely related to cultured methanotrophs. Second, 13C ethane was consumed by members of a novel group of Methylococcaceae. Growth with ethane as the major carbon source has not previously been observed in members of the Methylococcaceae; a highly divergent pmoA-like gene detected in the 13C-labeled DNA may encode an ethane monooxygenase. Third, 13C propane was consumed by members of a group of unclassified Gammaproteobacteria species not previously linked to propane oxidation. This study identifies several bacterial lineages as participants in the oxidation of gaseous hydrocarbons in marine seeps and supports the idea of an alternate function for some pmoA-like genes. PMID:20675448

  18. Theoretical evidence for inconsistencies in experimental bubble nucleation rates of propane/CO2 and R22/CO2 mixtures

    NASA Astrophysics Data System (ADS)

    Němec, Tomáš

    2015-12-01

    A binary formulation of the classical nucleation theory (CNT) is developed for homogeneous bubble nucleation in systems composed of a liquid solvent and a dissolved gas. The CNT predictions coincide with experimental nucleation data from the literature for diethylether/N2 and isobutane/CO2 mixtures, while several inconsistencies are identified for propane/CO2 and R22/CO2 experimental datasets.

  19. Temperature-dependent microwave dielectric relaxation studies of hydrogen bonded polar binary mixtures of propan-1-ol and propionaldehyde.

    PubMed

    Vishwam, T; Parvateesam, K; Sreeharisastry, S; Murthy, V R K

    2013-10-01

    The molecular interaction between the polar systems of propan-1-ol and propionaldehyde for various mole fractions at different temperatures were studied by determining the frequency dependent complex dielectric permittivity by using the open-ended coaxial probe technique method in the microwave frequency range from 20 MHz to 20 GHz. The geometries are optimized at HF, B3LYP and MP2 with 6-311G and 6-311G+ basis sets. Dipole moments of the binary mixtures are calculated from the dielectric data using Higasi's method and compared with the theoretical results. Conformational analysis of the formation of hydrogen bond between the propan-1-ol and propionaldehyde is supported by the FT-IR and molecular polarizability calculations. The average relaxation times are calculated from their respective Cole-Cole plots. The activation entropy, activation enthalpy and Kirkwood correlation 'g' factor, excess permittivity (ε(E)), excess inverse relaxation time (1/τ)(E), Bruggeman parameter (f(B)) have also been determined for propan-1-ol and propionaldehyde and the results were correlated.

  20. Propane dehydrogenation catalyzed by ZSM-5 zeolites. A mechanistic study based on the selective energy transfer (SET) theory.

    PubMed

    Larsson, Ragnar

    2015-02-02

    Experimentally determined activation energies of propane dehydrogenation catalyzed by ZSM-5 zeolites have been used to test the SET theory. The basis of this theory is that the catalyst system transfers vibrational energy via a resonance process to a specific vibration mode of the reacting molecule. Being excited up to a certain number of vibrational quanta the molecule is brought to reaction. By analyzing the above-mentioned activation energies we found the wave number of this "specific mode" to be 1065 cm-1. This is very close to the rocking vibration of propane (1053 cm-1). We suggest that the propane molecule reacts when excited so that the CH3 group has been forced towards a flat structure with a carbon atom hybridization that is more sp2 than sp3. Consequently there is no way for three H-atoms to bind to the carbon and one of them must leave. This is the starting point of the reaction. The isokinetic temperature of the system was found as Tiso = 727 ± 4 K. From the SET formula for Tiso when both energy-donating (ω) and energy-accepting (ν) vibrations have the same frequency, viz., Tiso = Nhcν/2R, we obtain ν = ω = 1011 ± 6 cm-1. This agrees rather well with the CH3 rocking mode (1053 cm-1) and also with asymmetric "TO4" stretching vibrations of the zeolite structure (ω).

  1. Super critical fluid extraction of a crude oil bitumen-derived liquid and bitumen by carbon dioxide and propane

    SciTech Connect

    Deo, M.D.; Hwang, J.; Hanson, F.V.

    1991-12-31

    Supercritical fluid extraction of complex hydrocarbon mixtures is important in separation processes, petroleum upgrading and enhanced oil recovery. In this study, a paraffinic crude oil, a bitumen- derived liquid and bitumen were extracted at several temperatures and pressures with carbon dioxide and propane to assess the effect of the size and type of compounds that makeup the feedstock on the extraction process. It was observed that the pure solvent density at the extraction conditions was not the sole variable governing extraction, and that the proximity of the extraction conditions to the pure solvent critical point affected the extraction yields and the compositions of the extracts. Heavier compounds reported to the extract phase as the extraction time increased at constant temperature and pressure and as the extraction pressure increased at constant temperature and extraction time for both the paraffin crude-propane and the bitumen-propane systems. This preferential extraction was not observed for the bitumen-derived liquid. The non-discriminatory extraction behavior of the bitumen-derived liquid was attributed to its thermal history and to the presence of the olefins and aromatics in the liquid. Phase behavior calculations using the Peng-Robinson equation of state and component lumping procedures provided reasonable agreement between calculated and experimental results for the crude oil and bitumen extractions, but failed in the prediction of the phase compositions for the bitumen-derived liquid extractions.

  2. Kinetic mechanism of plasma recombination in methane, ethane and propane after high-voltage nanosecond discharge

    NASA Astrophysics Data System (ADS)

    Anokhin, E. M.; Popov, M. A.; Kochetov, I. V.; Starikovskiy, A. Yu; Aleksandrov, N. L.

    2016-08-01

    The results of the experimental and numerical study of high-voltage nanosecond discharge afterglow in pure methane, ethane and propane are presented for room temperature and pressures from 2 to 20 Torr. Time-resolved electron density during the plasma decay was measured with a microwave interferometer for initial electron densities in the range between 5  ×  1010 and 3  ×  1012 cm‑3 and the effective recombination coefficients were obtained. Measured effective recombination coefficients increased with gas pressure and were much higher than the recombination coefficients for simple molecular hydrocarbon ions. The properties of plasma in the discharge afterglow were numerically simulated by solving the balance equations for charged particles and electron temperature. Calculations showed that electrons had time to thermalize prior to the recombination. The measured data were interpreted under the assumption that cluster hydrocarbon ions are formed during the plasma decay that is controlled by the dissociative electron recombination with these ions at electron room temperature. Based on the analysis of the experimental data, the rates of three-body formation of cluster ions and recombination coefficients for these ions were estimated.

  3. Preparation and characterization of foxtail millet bran oil using subcritical propane and supercritical carbon dioxide extraction.

    PubMed

    Shi, Yuzhong; Ma, Yuxiang; Zhang, Ruitin; Ma, Hanjun; Liu, Benguo

    2015-05-01

    The foxtail millet (Setaria italica Beauv) bran oil was extracted with traditional solvent extraction (SE), supercritical carbon dioxide extraction (SCE) and subcritical propane extraction (SPE) and analyzed the yield, physicochemical property, fatty acid profile, tocopherol composition, oil oxidative stability in this study. The yields of foxtail millet bran oil by SE, SCE and SPE were 17.14 %, 19.65 %, 21.79 % of raw material weight (corresponded to 75.54 %, 86.60 %, 96.03 % of the total amount of the oil measured by using Soxhlet extraction), respectively. The effect of the extraction methods on the physicochemical properties (peroxide value, saponification value and color) was significant while the difference in fatty acid profile was negligible based on GC analysis. The major components of vitamin E in the obtained oils were identified as α- and β-tocopherols by HPLC, and SPE was superior to SE and SCE in the extraction of tocopherols. In Rancimat test, the oil obtained by SPE showed the highest oil oxidative stability, which could attribute to its high tocopherol content and low peroxide value. In view of oil quality, SPE employed smaller times and lower pressures compared to SE and SCE. SPE was a suitable and selective method for the extraction of the foxtail millet bran oil.

  4. Carbon dynamics on the molybdenum carbide surface during catalytic propane dehydrogenation.

    PubMed

    Frank, Benjamin; Cotter, Thomas P; Schuster, Manfred E; Schlögl, Robert; Trunschke, Annette

    2013-12-01

    The effect of the gas-phase chemical potential on surface chemistry and reactivity of molybdenum carbide has been investigated in catalytic reactions of propane in oxidizing and reducing reactant mixtures by adding H2, O2, H2O, and CO2 to a C3H8/N2 feed. The balance between surface oxidation state, phase stability, carbon deposition, and the complex reaction network involving dehydrogenation reactions, hydrogenolysis, metathesis, water-gas shift reaction, hydrogenation, and steam reforming is discussed. Raman spectroscopy and a surface-sensitive study by means of in situ X-ray photoelectron spectroscopy evidence that the dynamic formation of surface carbon species under a reducing atmosphere strongly shifts the product spectrum to the C3-alkene at the expense of hydrogenolysis products. A similar response of selectivity, which is accompanied by a boost of activity, is observed by tuning the oxidation state of Mo in the presence of mild oxidants, such as H2O and CO2, in the feed as well as by V doping. The results obtained allow us to draw a picture of the active catalyst surface and to propose a structure-activity correlation as a map for catalyst optimization. PMID:24248701

  5. Autothermal reforming of propane over Ni catalysts supported on a variety of perovskites.

    PubMed

    Lim, SeungSoo; Moon, DongJu; Kim, JongHo; Kim, YoungChul; Park, NamCook; Shin, JaeSoon

    2007-11-01

    Autothermal reforming of propane for hydrogen over Ni catalysts supported on a variety of perovskites was performed in an atmospheric flow reactor. Perovskite is known for its higher thermal stability and oxygen storage capacity, but catalytic activity of itself is low. A sites of the ABO3 structured perovskites were occupied by La while B sites by one of Fe, Co, Ni, and Al by citrate method. The composition of the reactant mixture was H2O/C/O2 = 8.96/1.0/1.1. The changes in the states of the catalysts after reaction were analyzed by XRD, TPD, and TGA. Ni/LaAlO3 catalyst maintained the perovskite structure after reaction. It showed higher hydrogen yield and thermal stability compared to those of the catalysts with Fe, Co, or Ni in B sites. Catalysts prepared by deposition-precipitation (DP) method showed higher activity than those prepared by impregnation method, presumably due to the smaller sizes of the NiO crystal particles.

  6. Chromium and ruthenium-doped zinc oxide thin films for propane sensing applications.

    PubMed

    Gómez-Pozos, Heberto; González-Vidal, José Luis; Torres, Gonzalo Alberto; Rodríguez-Baez, Jorge; Maldonado, Arturo; Olvera, María de la Luz; Acosta, Dwight Roberto; Avendaño-Alejo, Maximino; Castañeda, Luis

    2013-03-12

    Chromium and ruthenium-doped zinc oxide (ZnO:Cr) and (ZnO:Ru) thin solid films were deposited on soda-lime glass substrates by the sol-gel dip-coating method. A 0.6 M solution of zinc acetate dihydrate dissolved in 2-methoxyethanol and monoethanolamine was used as basic solution. Chromium (III) acetylacetonate and Ruthenium (III) trichloride were used as doping sources. The Ru incorporation and its distribution profile into the films were proved by the SIMS technique. The morphology and structure of the films were studied by SEM microscopy and X-ray diffraction measurements, respectively. The SEM images show porous surfaces covered by small grains with different grain size, depending on the doping element, and the immersions number into the doping solutions. The sensing properties of ZnO:Cr and ZnO:Ru films in a propane (C3H8) atmosphere, as a function of the immersions number in the doping solution, have been studied in the present work. The highest sensitivity values were obtained for films doped from five immersions, 5.8 and 900, for ZnO:Cr and ZnO:Ru films, respectively. In order to evidence the catalytic effect of the chromium (Cr) and ruthenium (Ru), the sensing characteristics of undoped ZnO films are reported as well.

  7. Subnanometer platinum clusters highly active and selective catalysts for the oxidative dehydrogenation of propane.

    SciTech Connect

    Vajda, S; Pellin, M. J.; Greeley, J. P.; Marshall, C. L.; Curtiss, L. A.; Ballentine, G. A.; Elam, J. W.; Catillon-Mucherie, S.; Redfern, P. C.; Mehmood, F.; Zapol, P.; Yale Univ.

    2009-03-01

    Small clusters are known to possess reactivity not observed in their bulk analogues, which can make them attractive for catalysis. Their distinct catalytic properties are often hypothesized to result from the large fraction of under-coordinated surface atoms. Here, we show that size-preselected Pt{sub 8-10} clusters stabilized on high-surface-area supports are 40-100 times more active for the oxidative dehydrogenation of propane than previously studied platinum and vanadia catalysts, while at the same time maintaining high selectivity towards formation of propylene over by-products. Quantum chemical calculations indicate that under-coordination of the Pt atoms in the clusters is responsible for the surprisingly high reactivity compared with extended surfaces. We anticipate that these results will form the basis for development of a new class of catalysts by providing a route to bond-specific chemistry, ranging from energy-efficient and environmentally friendly synthesis strategies to the replacement of petrochemical feedstocks by abundant small alkanes.

  8. Mechanism of influence water vapor on combustion characteristics of propane-air mixture

    NASA Astrophysics Data System (ADS)

    Larionov, V. M.; Mitrofanov, G. A.; Sachovskii, A. V.; Kozar, N. K.

    2016-01-01

    The article discusses the results of an experimental study of the effect of water vapor at the flame temperature. Propane-butane mixture with air is burning on a modified Bunsen burner. Steam temperature was varied from 180 to 260 degrees. Combustion parameters changed by steam temperature and its proportion in the mixture with the fuel. The fuel-air mixture is burned in the excess air ratio of 0.1. It has been established that the injection of steam changes the characteristics of combustion fuel-air mixture and increase the combustion temperature. The concentration of CO in the combustion products is substantially reduced. Raising the temperature in the combustion zone is associated with increased enthalpy of the fuel by the added steam enthalpy. Reducing the concentration of CO is caused by decrease in the average temperature in the combustion zone by applying steam. Concentration of active hydrogen radicals and oxygen increases in the combustion zone. That has a positive effect on the process of combustion.

  9. Synthesis, characterization, antibacterial activity and quantum chemical studies of N'-Acetyl propane sulfonic acid hydrazide

    NASA Astrophysics Data System (ADS)

    Alyar, Saliha; Alyar, Hamit; Ozdemir, Ummuhan Ozmen; Sahin, Omer; Kaya, Kerem; Ozbek, Neslihan; Gunduzalp, Ayla Balaban

    2015-08-01

    A new N'-Acetyl propane sulfonic acid hydrazide, C3H7sbnd SO2sbnd NHsbnd NHsbnd COCH3 (Apsh, an sulfon amide compound) has been synthesized for the first time. The structure of Apsh was investigated using elemental analysis, spectral (IR, 1H/13C NMR) measurements. In addition, molecular structure of the Apsh was determined by single crystal X-ray diffraction technique and found that the compound crystallizes in monoclinic, space group P 21/c. 1H and 13C shielding tensors for crystal structure were calculated with GIAO/DFT/B3LYP/6-311++G(d,p) methods in CDCl3. The structure of Apsh is optimized using Density Functional Theory (DFT) method. The vibrational band assignments were performed at B3LYP/6-311++G(d,p) theory level combined with scaled quantum mechanics force field (SQMFF) methodology. The theoretical IR frequencies are found to be in good agreement with the experimental IR frequencies. Nonlinear optical (NLO) behaviour of Apsh is also examined by the theoretically predicted values of dipole moment (μ), polarizability (α0) and first hyperpolarizability (βtot). The antibacterial activities of synthesized compound were studied against Gram positive bacteria: Staphylococcus aureus ATCC 25923, Enterococcus faecalis ATCC 23212, Staphylococcus epidermidis ATCC 34384, Gram negative bacteria: Eschericha coli ATCC 25922, Pseudomonas aeruginosa ATCC 27853, Klebsiella pneumoniae ATCC 70063 by using microdilution method (as MICs) and disc diffusion method.

  10. Catalytic propane dehydrogenation over In₂O₃–Ga₂O₃ mixed oxides

    SciTech Connect

    Tan, Shuai; Gil, Laura Briones; Subramanian, Nachal; Sholl, David S.; Nair, Sankar; Jones, Christopher W.; Moore, Jason S.; Liu, Yujun; Dixit, Ravindra S.; Pendergast, John G.

    2015-08-26

    We have investigated the catalytic performance of novel In₂O₃–Ga₂O₃ mixed oxides synthesized by the alcoholic-coprecipitation method for propane dehydrogenation (PDH). Reactivity measurements reveal that the activities of In₂O₃–Ga₂O₃ catalysts are 1–3-fold (on an active metal basis) and 12–28-fold (on a surface area basis) higher than an In₂O₃–Al₂O₃ catalyst in terms of C₃H₈ conversion. The structure, composition, and surface properties of the In₂O₃–Ga₂O₃ catalysts are thoroughly characterized. NH₃-TPD shows that the binary oxide system generates more acid sites than the corresponding single-component catalysts. Raman spectroscopy suggests that catalysts that produce coke of a more graphitic nature suppress cracking reactions, leading to higher C₃H₆ selectivity. Lower reaction temperature also leads to higher C₃H₆ selectivity by slowing down the rate of side reactions. XRD, XPS, and XANES measurements, strongly suggest that metallic indium and In₂O₃ clusters are formed on the catalyst surface during the reaction. The agglomeration of In₂O₃ domains and formation of a metallic indium phase are found to be irreversible under O₂ or H₂ treatment conditions used here, and may be responsible for loss of activity with increasing time on stream.

  11. Kinetic mechanism of plasma recombination in methane, ethane and propane after high-voltage nanosecond discharge

    NASA Astrophysics Data System (ADS)

    Anokhin, E. M.; Popov, M. A.; Kochetov, I. V.; Starikovskiy, A. Yu; Aleksandrov, N. L.

    2016-08-01

    The results of the experimental and numerical study of high-voltage nanosecond discharge afterglow in pure methane, ethane and propane are presented for room temperature and pressures from 2 to 20 Torr. Time-resolved electron density during the plasma decay was measured with a microwave interferometer for initial electron densities in the range between 5  ×  1010 and 3  ×  1012 cm-3 and the effective recombination coefficients were obtained. Measured effective recombination coefficients increased with gas pressure and were much higher than the recombination coefficients for simple molecular hydrocarbon ions. The properties of plasma in the discharge afterglow were numerically simulated by solving the balance equations for charged particles and electron temperature. Calculations showed that electrons had time to thermalize prior to the recombination. The measured data were interpreted under the assumption that cluster hydrocarbon ions are formed during the plasma decay that is controlled by the dissociative electron recombination with these ions at electron room temperature. Based on the analysis of the experimental data, the rates of three-body formation of cluster ions and recombination coefficients for these ions were estimated.

  12. Soot formation and temperature field structure in laminar propane-air diffusion flames at elevated pressures

    SciTech Connect

    Bento, Decio S.; Guelder, OEmer L.; Thomson, Kevin A.

    2006-06-15

    The effect of pressure on soot formation and the structure of the temperature field was studied in coflow propane-air laminar diffusion flames over the pressure range of 0.1 to 0.73 MPa in a high-pressure combustion chamber. The fuel flow rate was selected so that the soot was completely oxidized within the visible flame and the flame was stable at all pressures. Spectral soot emission was used to measure radially resolved soot volume fraction and soot temperature as a function of pressure. Additional soot volume fraction measurements were made at selected heights using line-of-sight light attenuation. Soot concentration values from these two techniques agreed to within 30% and both methods exhibited similar trends in the spatial distribution of soot concentration. Maximum line-of-sight soot concentration along the flame centerline scaled with pressure; the pressure exponent was about 1.4 for pressures between 0.2 and 0.73 MPa. Peak carbon conversion to soot, defined as the percentage of fuel carbon content converted to soot, also followed a power-law dependence on pressure, where the pressure exponent was near to unity for pressures between 0.2 and 0.73 MPa. Soot temperature measurements indicated that the overall temperatures decreased with increasing pressure; however, the temperature gradients increased with increasing pressure. (author)

  13. Cool Flames in Propane-Oxygen Premixtures at Low and Intermediate Temperatures at Reduced-Gravity

    NASA Technical Reports Server (NTRS)

    Pearlman, Howard; Foster, Michael; Karabacak, Devrez

    2003-01-01

    The Cool Flame Experiment aims to address the role of diffusive transport on the structure and the stability of gas-phase, non-isothermal, hydrocarbon oxidation reactions, cool flames and auto-ignition fronts in an unstirred, static reactor. These reactions cannot be studied on Earth where natural convection due to self-heating during the course of slow reaction dominates diffusive transport and produces spatio-temporal variations in the thermal and thus species concentration profiles. On Earth, reactions with associated Rayleigh numbers (Ra) less than the critical Ra for onset of convection (Ra(sub cr) approx. 600) cannot be achieved in laboratory-scale vessels for conditions representative of nearly all low-temperature reactions. In fact, the Ra at 1g ranges from 10(exp 4) - 10(exp 5) (or larger), while at reduced-gravity, these values can be reduced two to six orders of magnitude (below Ra(sub cr)), depending on the reduced-gravity test facility. Currently, laboratory (1g) and NASA s KC-135 reduced-gravity (g) aircraft studies are being conducted in parallel with the development of a detailed chemical kinetic model that includes thermal and species diffusion. Select experiments have also been conducted at partial gravity (Martian, 0.3gearth) aboard the KC-135 aircraft. This paper discusses these preliminary results for propane-oxygen premixtures in the low to intermediate temperature range (310- 350 C) at reduced-gravity.

  14. Structural evolution of an intermetallic Pd-Zn catalyst selective for propane dehydrogenation.

    PubMed

    Gallagher, James R; Childers, David J; Zhao, Haiyan; Winans, Randall E; Meyer, Randall J; Miller, Jeffrey T

    2015-11-14

    We report the structural evolution of Pd-Zn alloys in a 3.6% Pd-12% Zn/Al2O3 catalyst which is selective for propane dehydrogenation. High signal-to-noise, in situ synchrotron X-ray diffraction (XRD) was used quantitatively, in addition to in situ diffuse-reflectance infrared Fourier transform spectroscopy (DRIFTS) and extended X-ray absorption fine structure (EXAFS) to follow the structural changes in the catalyst as a function of reduction temperature. XRD in conjunction with DRIFTS of adsorbed CO indicated that the β1-PdZn intermetallic alloy structure formed at reduction temperatures as low as 230 °C, likely first at the surface, but did not form extensively throughout the bulk until 500 °C which was supported by in situ EXAFS. DRIFTS results suggested there was little change in the surfaces of the nanoparticles above 325 °C. The intermetallic alloy which formed was Pd-rich at all temperatures but became less Pd-rich with increasing reduction temperature as more Zn incorporated into the structure. In addition to the β1-PdZn alloy, a solid solution phase with face-center cubic structure (α-PdZn) was present in the catalyst, also becoming more Zn-rich with increasing reduction temperature.

  15. A rapid compression machine study of the oxidation of propane in the negative temperature coefficient regime

    SciTech Connect

    Gallagher, S.M.; Curran, H.J.; Metcalfe, W.K.; Healy, D.; Simmie, J.M.; Bourque, G.

    2008-04-15

    The oxidation of propane has been studied in the temperature range 680-970 K at compressed gas pressures of 21, 27, and 37 atm and at varying equivalence ratios of 0.5, 1.0, and 2.0. These data are consistent with other experiments presented in the literature for alkane fuels in that, when ignition delay times are plotted as a function of temperature, a characteristic negative coefficient behavior is observed. In addition, these data were simulated using a detailed chemical kinetic model. It was found that qualitatively the model correctly simulated the effect of change in equivalence ratio and pressure, predicting that fuel-rich, high-pressure mixtures ignite fastest, while fuel-lean, low-pressure mixtures ignite slowest. Moreover, reactivity as a function of temperature is well captured, with the model predicting negative temperature coefficient behavior similar to the experiments. Quantitatively the model is faster than experiment for all mixtures at the lowest temperatures (650-750 K) and is also faster than experiment throughout the entire temperature range for fuel-lean mixtures. (author)

  16. Turbulent Burning Velocities of Two-Component Fuel Mixtures of Methane, Propane and Hydrogen

    NASA Astrophysics Data System (ADS)

    Kido, Hiroyuki; Nakahara, Masaya; Hashimoto, Jun; Barat, Dilmurat

    In order to clarify the turbulent burning velocity of multi-component fuel mixtures, both lean and rich two-component fuel mixtures, in which methane, propane and hydrogen were used as fuels, were prepared while maintaining the laminar burning velocity approximately constant. A distinct difference in the measured turbulent burning velocity at the same turbulence intensity is observed for two-component fuel mixtures having different addition rates of fuel, even the laminar burning velocities are approximately the same. The burning velocities of lean mixtures change almost constantly as the rate of addition changes, whereas the burning velocities of the rich mixtures show no such tendency. This trend can be explained qualitatively based on the mean local burning velocity, which is estimated by taking into account the preferential diffusion effect for each fuel component. In addition, a model of turbulent burning velocity proposed for single-component fuel mixtures may be applied to two-component fuel mixtures by considering the estimated mean local burning velocity of each fuel.

  17. Operation of a Four-Cylinder 1.9L Propane Fueled HCCI Engine

    SciTech Connect

    Flowers, D; Aceves, S M; Martinez-Frias, J; Smith, J R; Au, M; Girard, J; Dibble, R

    2001-03-15

    A four-cylinder 1.9 Volkswagen TDI Engine has been converted to run in Homogeneous Charge Compression Ignition (HCCI) mode. The stock configuration is a turbocharged direct injection Diesel engine. The combustion chamber has been modified by discarding the in-cylinder Diesel fuel injectors and replacing them with blank inserts (which contain pressure transducers). The stock pistons contain a reentrant bowl and have been retained for the tests reported here. The intake and exhaust manifolds have also been retained, but the turbocharger has been removed. A heater has been installed upstream of the intake manifold and fuel is added just downstream of this heater. The performance of this engine in naturally aspirated HCCI operation, subject to variable intake temperature and fuel flow rate, has been studied. The engine has been run with propane fuel at a constant speed of 1800 rpm. This work is intended to characterize the HCCI operation of the engine in this configuration that has been minimally modified from the base Diesel engine. The performance (BMEP, IMEP, efficiency, etc) and emissions (THC, CO, NOx) of the engine are presented, as are combustion process results based on heat release analysis of the pressure traces from each cylinder.

  18. Temperature and pressure influence on explosion pressures of closed vessel propane-air deflagrations.

    PubMed

    Razus, Domnina; Brinzea, Venera; Mitu, Maria; Oancea, Dumitru

    2010-02-15

    An experimental study on pressure evolution during closed vessel explosions of propane-air mixtures was performed, for systems with various initial concentrations and pressures ([C(3)H(8)]=2.50-6.20 vol.%, p(0)=0.3-1.2 bar). The explosion pressures and explosion times were measured in a spherical vessel (Phi=10 cm), at various initial temperatures (T(0)=298-423 K) and in a cylindrical vessel (Phi=10 cm; h=15 cm), at ambient initial temperature. The experimental values of explosion pressures are examined against literature values and compared to adiabatic explosion pressures, computed by assuming chemical equilibrium within the flame front. The influence of initial pressure, initial temperature and fuel concentration on explosion pressures and explosion times are discussed. At constant temperature and fuel/oxygen ratio, the explosion pressures are linear functions of total initial pressure, as reported for other fuel-air mixtures. At constant initial pressure and composition, both the measured and calculated (adiabatic) explosion pressures are linear functions of reciprocal value of initial temperature. Such correlations are extremely useful for predicting the explosion pressures of flammable mixtures at elevated temperatures and/or pressures, when direct measurements are not available.

  19. Chromium and Ruthenium-Doped Zinc Oxide Thin Films for Propane Sensing Applications

    PubMed Central

    Gómez-Pozos, Heberto; González-Vidal, José Luis; Torres, Gonzalo Alberto; Rodríguez-Baez, Jorge; Maldonado, Arturo; de la Luz Olvera, María; Acosta, Dwight Roberto; Avendaño-Alejo, Maximino; Castañeda, Luis

    2013-01-01

    Chromium and ruthenium-doped zinc oxide (ZnO:Cr) and (ZnO:Ru) thin solid films were deposited on soda-lime glass substrates by the sol-gel dip-coating method. A 0.6 M solution of zinc acetate dihydrate dissolved in 2-methoxyethanol and monoethanolamine was used as basic solution. Chromium (III) acetylacetonate and Ruthenium (III) trichloride were used as doping sources. The Ru incorporation and its distribution profile into the films were proved by the SIMS technique. The morphology and structure of the films were studied by SEM microscopy and X-ray diffraction measurements, respectively. The SEM images show porous surfaces covered by small grains with different grain size, depending on the doping element, and the immersions number into the doping solutions. The sensing properties of ZnO:Cr and ZnO:Ru films in a propane (C3H8) atmosphere, as a function of the immersions number in the doping solution, have been studied in the present work. The highest sensitivity values were obtained for films doped from five immersions, 5.8 and 900, for ZnO:Cr and ZnO:Ru films, respectively. In order to evidence the catalytic effect of the chromium (Cr) and ruthenium (Ru), the sensing characteristics of undoped ZnO films are reported as well. PMID:23482091

  20. Preparation and characterization of foxtail millet bran oil using subcritical propane and supercritical carbon dioxide extraction.

    PubMed

    Shi, Yuzhong; Ma, Yuxiang; Zhang, Ruitin; Ma, Hanjun; Liu, Benguo

    2015-05-01

    The foxtail millet (Setaria italica Beauv) bran oil was extracted with traditional solvent extraction (SE), supercritical carbon dioxide extraction (SCE) and subcritical propane extraction (SPE) and analyzed the yield, physicochemical property, fatty acid profile, tocopherol composition, oil oxidative stability in this study. The yields of foxtail millet bran oil by SE, SCE and SPE were 17.14 %, 19.65 %, 21.79 % of raw material weight (corresponded to 75.54 %, 86.60 %, 96.03 % of the total amount of the oil measured by using Soxhlet extraction), respectively. The effect of the extraction methods on the physicochemical properties (peroxide value, saponification value and color) was significant while the difference in fatty acid profile was negligible based on GC analysis. The major components of vitamin E in the obtained oils were identified as α- and β-tocopherols by HPLC, and SPE was superior to SE and SCE in the extraction of tocopherols. In Rancimat test, the oil obtained by SPE showed the highest oil oxidative stability, which could attribute to its high tocopherol content and low peroxide value. In view of oil quality, SPE employed smaller times and lower pressures compared to SE and SCE. SPE was a suitable and selective method for the extraction of the foxtail millet bran oil. PMID:25892815

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

    PubMed

    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. PMID:27282951

  2. New insights into low-temperature oxidation of propane from synchrotron photoionization mass spectrometry and multi-scale informatics modeling

    SciTech Connect

    Welz, Oliver; Burke, Michael P.; Antonov, Ivan O.; Goldsmith, C. Franklin; Savee, John David; Osborn, David L.; Taatjes, Craig A.; Klippenstein, Stephen J.; Sheps, Leonid

    2015-04-10

    We studied low-temperature propane oxidation at P = 4 Torr and T = 530, 600, and 670 K by time-resolved multiplexed photoionization mass spectrometry (MPIMS), which probes the reactants, intermediates, and products with isomeric selectivity using tunable synchrotron vacuum UV ionizing radiation. The oxidation is initiated by pulsed laser photolysis of oxalyl chloride, (COCl)2, at 248 nm, which rapidly generates a ~1:1 mixture of 1-propyl (n-propyl) and 2-propyl (i-propyl) radicals via the fast Cl + propane reaction. At all three temperatures, the major stable product species is propene, formed in the propyl + O2 reactions by direct HO2 elimination from both n- and i-propyl peroxy radicals. The experimentally derived propene yields relative to the initial concentration of Cl atoms are (20 ± 4)% at 530 K, (55 ± 11)% at 600 K, and (86 ± 17)% at 670 K at a reaction time of 20 ms. The lower yield of propene at low temperature reflects substantial formation of propyl peroxy radicals, which do not completely decompose on the experimental time scale. In addition, C3H6O isomers methyloxirane, oxetane, acetone, and propanal are detected as minor products. Our measured yields of oxetane and methyloxirane, which are coproducts of OH radicals, suggest a revision of the OH formation pathways in models of low-temperature propane oxidation. The experimental results are modeled and interpreted using a multiscale informatics approach, presented in detail in a separate publication (Burke, M. P.; Goldsmith, C. F.; Klippenstein, S. J.; Welz, O.; Huang H.; Antonov I. O.; Savee J. D.; Osborn D. L.; Zádor, J.; Taatjes, C. A.; Sheps, L. Multiscale Informatics for Low-Temperature Propane Oxidation: Further Complexities in Studies of Complex Reactions. J. Phys. Chem A. 2015, DOI: 10.1021/acs.jpca.5b01003). Additionally, we found that the model predicts the time profiles and yields of the experimentally observed primary products well

  3. New insights into low-temperature oxidation of propane from synchrotron photoionization mass spectrometry and multi-scale informatics modeling

    DOE PAGES

    Welz, Oliver; Burke, Michael P.; Antonov, Ivan O.; Goldsmith, C. Franklin; Savee, John David; Osborn, David L.; Taatjes, Craig A.; Klippenstein, Stephen J.; Sheps, Leonid

    2015-04-10

    We studied low-temperature propane oxidation at P = 4 Torr and T = 530, 600, and 670 K by time-resolved multiplexed photoionization mass spectrometry (MPIMS), which probes the reactants, intermediates, and products with isomeric selectivity using tunable synchrotron vacuum UV ionizing radiation. The oxidation is initiated by pulsed laser photolysis of oxalyl chloride, (COCl)2, at 248 nm, which rapidly generates a ~1:1 mixture of 1-propyl (n-propyl) and 2-propyl (i-propyl) radicals via the fast Cl + propane reaction. At all three temperatures, the major stable product species is propene, formed in the propyl + O2 reactions by direct HO2 elimination frommore » both n- and i-propyl peroxy radicals. The experimentally derived propene yields relative to the initial concentration of Cl atoms are (20 ± 4)% at 530 K, (55 ± 11)% at 600 K, and (86 ± 17)% at 670 K at a reaction time of 20 ms. The lower yield of propene at low temperature reflects substantial formation of propyl peroxy radicals, which do not completely decompose on the experimental time scale. In addition, C3H6O isomers methyloxirane, oxetane, acetone, and propanal are detected as minor products. Our measured yields of oxetane and methyloxirane, which are coproducts of OH radicals, suggest a revision of the OH formation pathways in models of low-temperature propane oxidation. The experimental results are modeled and interpreted using a multiscale informatics approach, presented in detail in a separate publication (Burke, M. P.; Goldsmith, C. F.; Klippenstein, S. J.; Welz, O.; Huang H.; Antonov I. O.; Savee J. D.; Osborn D. L.; Zádor, J.; Taatjes, C. A.; Sheps, L. Multiscale Informatics for Low-Temperature Propane Oxidation: Further Complexities in Studies of Complex Reactions. J. Phys. Chem A. 2015, DOI: 10.1021/acs.jpca.5b01003). Additionally, we found that the model predicts the time profiles and yields of the experimentally observed primary products well, and shows satisfactory agreement for products

  4. Hydronic Heating Coil Versus Propane Furnace, Rehoboth Beach, Delaware (Fact Sheet)

    SciTech Connect

    Not Available

    2014-01-01

    Insight Homes constructed two houses in Rehoboth Beach, Delaware, with identical floor plans and thermal envelopes but different heating and domestic hot water (DHW) systems. Each house is 1,715-ft2 with a single story, three bedrooms, two bathrooms, and the heating, ventilation, and air conditioning (HVAC) systems and ductwork located in conditioned crawlspaces. The standard house, which the builder offers as its standard production house, uses an air source heat pump (ASHP) with supplemental propane furnace heating. The Building America test house uses the same ASHP unit with supplemental heat provided by the DHW heater (a combined DHW and hydronic heating system, where the hydronic heating element is in the air handler). Both houses were occupied during the test period. Results indicate that efficiency of the two heating systems was not significantly different. Three issues dominate these results; lower system design performance resulting from the indoor refrigerant coil selected for the standard house, an incorrectly functioning defrost cycle in the standard house, and the low resolution of the natural gas monitoring equipment. The thermal comfort of both houses fell outside the ASHRAE Standard 55 heating range but was within the ACCA room-to-room temperature range when compared to the thermostat temperature. The monitored DHW draw schedules were input into EnergyPlus to evaluate the efficiency of the tankless hot water heater model using the two monitored profiles and the Building America House Simulation Protocols. The results indicate that the simulation is not significantly impacted by the draw profiles.

  5. Phase diagrams for clathrate hydrates of methane, ethane, and propane from first-principles thermodynamics.

    PubMed

    Cao, Xiaoxiao; Huang, Yingying; Li, Wenbo; Zheng, Zhaoyang; Jiang, Xue; Su, Yan; Zhao, Jijun; Liu, Changling

    2016-01-28

    Natural gas hydrates are inclusion compounds composed of major light hydrocarbon gaseous molecules (CH4, C2H6, and C3H8) and a water clathrate framework. Understanding the phase stability and formation conditions of natural gas hydrates is crucial for their future exploitation and applications and requires an accurate description of intermolecular interactions. Previous ab initio calculations on gas hydrates were mainly limited by the cluster models, whereas the phase diagram and equilibrium conditions of hydrate formation were usually investigated using the thermodynamic models or empirical molecular simulations. For the first time, we construct the chemical potential phase diagrams of type II clathrate hydrates encapsulated with methane/ethane/propane guest molecules using first-principles thermodynamics. We find that the partially occupied structures (136H2O·1CH4, 136H2O·16CH4, 136H2O·20CH4, 136H2O·1C2H6, and 136H2O·1C3H8) and fully occupied structures (136H2O·24CH4, 136H2O·8C2H6, and 136H2O·8C3H8) are thermodynamically favorable under given pressure-temperature (p-T) conditions. The theoretically predicted equilibrium pressures for pure CH4, C2H6 and C3H8 hydrates at the phase transition point are consistent with the experimental data. These results provide valuable guidance for establishing the relationship between the accurate description of intermolecular noncovalent interactions and the p-T equilibrium conditions of clathrate hydrates and other molecular crystals.

  6. Flame front surface characteristics in turbulent premixed propane/air combustion

    SciTech Connect

    Guelder, O.L.; Smallwood, G.J.; Wong, R.; Snelling, D.R.; Smith, R.; Deschamps, B.M.; Sautet, J.C.

    2000-03-01

    The characteristics of the flame front surfaces in turbulent premixed propane/air flames were investigated. Flame front images were obtained using laser-induced fluorescence (LIF) of OH and Mie scattering on two Bunsen-type burners of 11.2-mm and 22.4-mm diameters. Nondimensional turbulence intensity, u{prime}/S{sub L}, was varied from 0.9 to 15, and the Reynolds number, based on the integral length scale, varied from 40 to 467. Approximately 100 images were recorded for each experimental condition. Fractal parameters (fractal dimension, inner and outer cutoffs) and corresponding standard deviations were determined by analysis of the flame front images using the caliper technique. The fractal dimensions derived from OH and Mie scattering images are almost identical. However, inner and outer cutoffs from OH images are consistently higher than those obtained from Mie scattering. The self-similar region of the flame front wrinkling is about a decade for all flames studied. In the nondimensional turbulence intensity range from 1 to 15, it was found that the mean fractal dimension is about 2.2 and it does not show any dependence on turbulence intensity. This contradicts the findings of the previous studies that showed that the fractal dimension asymptotically reaches to 2.35--2.37 when the nondimensional turbulence intensity u{prime}/S{sub L} exceeds 3. It is shown that the reason for this discrepancy is the image analysis method used in the previous studies. Examples are given to show the inadequacy of the circle method used in previous studies for extraction of fractal parameters from flame front images. The fractal parameters obtained so far, in this and previous studies, are not capable of correctly predicting the turbulent burning velocity using the available fractal area closure model.

  7. Optical measurements of soot and temperature profiles in premixed propane-oxygen flames

    NASA Technical Reports Server (NTRS)

    Lyons, Valerie J.; Pagni, Patrick J.

    1988-01-01

    Two laser diagnostic techniques were used to measure soot volume fractions, number densities and soot particle radii in premixed propane/oxygen flat flames. The two techniques used were two wavelength extinction, using 514.5 nm to 632.8 nm and 457.9 nm to 632.8 nm wavelength combinations, and extinction/scattering using 514.5 nm light. The flames wre fuel-rich (equivalence ratios from 2.1 to 2.8) and had cold gas velocities varying from 3.4 to 5.5 cm/s. Measurements were made at various heights above the sintered-bronze, water-cooled flat flame burner with the equivalence ratio and cold gas velocity fixed. Also, measurements were made at a fixed height above the burner and fixed cold gas velocity while varying the equivalence ratio. Both laser techniques are based on the same underlying assumptions of particle size distribution and soot optical properties. Full Mie theory was used to determine the extinction coefficients K sub ext, and the scattering efficiencies, Q sub vv. Temperature measurements in the flames were made using infrared radiometry. Good agreement between the two techniques in terms of soot particle radii, number density and volume fraction was found for intensity ratios (I/I sub o) between 0.1 and 0.8. For intensity ratios higher or lower than this range, the differences in extinction coefficients at the wavelengths chosen for the two-wavelength method are too small to give accurate results for comparing particle radii and number densities. However, when comparing only soot volume fractions, the agreement between the two techniques continued to be good for intensity ratios up to 0.95.

  8. Optical measurements of soot and temperature profiles in premixed propane-oxygen flames

    NASA Technical Reports Server (NTRS)

    Lyons, V. J.; Pagni, P. J.

    1988-01-01

    Two laser diagnostic techniques were used to measure soot volume fractions, number densities and soot particle radii in premixed propane/oxygen flat flames. The two techniques used were two wavelength extinction, using 514.5 nm to 632.8 nm and 457.9 nm to 632.8 nm wavelength combinations, and extinction/scattering using 514.5 nm light. The flames were fuel-rich (equivalence ratios from 2.1 to 2.8) and had cold gas velocities varying from 3.4 to 5.5 cm/s. Measurements were made at various heights above the sintered-bronze, water-cooled flat flame burner with the equivalence ratio and cold gas velocity fixed. Also, measurements were made at a fixed height above the burner and fixed cold gas velocity while varying the equivalence ratio. Both laser techniques are based on the same underlying assumptions of particle size distribution and soot optical properties. Full Mie theory was used to determine the extinction coefficients K sub ext, and the scattering efficiencies, Q sub vv. Temperature measurements in the flames were made using infrared radiometry. Good agreement between the two techniques in terms of soot particle radii, number density and volume fraction was found for intensity ratios (I/I sub o) between 0.1 and 0.8. For intensity ratios higher or lower than this range, the differences in extinction coefficients at the wavelengths chosen for the two-wavelength method are too small to give accurate results for comparing particle radii and number densities. However, when comparing only soot volume fractions, the agreement between the two techniques continued to be good for intensity ratios up to 0.95.

  9. Phase diagrams for clathrate hydrates of methane, ethane, and propane from first-principles thermodynamics.

    PubMed

    Cao, Xiaoxiao; Huang, Yingying; Li, Wenbo; Zheng, Zhaoyang; Jiang, Xue; Su, Yan; Zhao, Jijun; Liu, Changling

    2016-01-28

    Natural gas hydrates are inclusion compounds composed of major light hydrocarbon gaseous molecules (CH4, C2H6, and C3H8) and a water clathrate framework. Understanding the phase stability and formation conditions of natural gas hydrates is crucial for their future exploitation and applications and requires an accurate description of intermolecular interactions. Previous ab initio calculations on gas hydrates were mainly limited by the cluster models, whereas the phase diagram and equilibrium conditions of hydrate formation were usually investigated using the thermodynamic models or empirical molecular simulations. For the first time, we construct the chemical potential phase diagrams of type II clathrate hydrates encapsulated with methane/ethane/propane guest molecules using first-principles thermodynamics. We find that the partially occupied structures (136H2O·1CH4, 136H2O·16CH4, 136H2O·20CH4, 136H2O·1C2H6, and 136H2O·1C3H8) and fully occupied structures (136H2O·24CH4, 136H2O·8C2H6, and 136H2O·8C3H8) are thermodynamically favorable under given pressure-temperature (p-T) conditions. The theoretically predicted equilibrium pressures for pure CH4, C2H6 and C3H8 hydrates at the phase transition point are consistent with the experimental data. These results provide valuable guidance for establishing the relationship between the accurate description of intermolecular noncovalent interactions and the p-T equilibrium conditions of clathrate hydrates and other molecular crystals. PMID:26745181

  10. Stability and catalytic performance of vanadia supported on nanostructured titania catalyst in oxidative dehydrogenation of propane

    NASA Astrophysics Data System (ADS)

    Kootenaei, A. H. Shahbazi; Towfighi, J.; Khodadadi, A.; Mortazavi, Y.

    2014-04-01

    Titanate nanotubes with a high specific surface area were synthesized by the simple hydrothermal method and investigated as support for V2O5 catalyst in oxidative dehydrogenation of propane (ODP). The structures of pristine nanotubes as well as the prepared catalysts were investigated by XRD, Raman, FTIR, HRTEM, SEM, EDS, BET, and XPS techniques. The characterization of the as-synthesized nanotubes showed the synthesis of hydrogen titanate nanotube. The incipient wetness impregnation method was utilized to prepare VTNT-x (x = 5, 10, and 15 wt.% vanadia supported on nanotube) together with VTi5 (5 wt.% vanadia supported on Degussa P25). The anatase phase was developed in VTNT-x catalysts upon calcination along with specific surface area loss. Higher vanadia loading resulted in the lowering of support capacity in maintaining vanadia in dispersed state such that eventually crystalline vanadia appeared. The measured catalyst activity demonstrates that in spite of major support surface area loss in VTNT-5 catalyst, the propylene yield is superior in comparison with VTi5 catalyst. The catalyst activity can be correlated with maximum reduction temperature. Deactivation of VTi5 and VTNT-5 as well as VTNT-15 were studied for 3,000 min time-on-stream. It was found that the activity of VTNT-5 catalyst remain unchanged while a decline in catalytic activity observed in VTi5 and VTNT-15 catalysts. The development of rutile was considered as being a major element in the deactivation of the investigated catalysts which is influenced by the presence of vanadium and reaction atmosphere.

  11. Extraction of chili, black pepper, and ginger with near-critical CO2, propane, and dimethyl ether: analysis of the extracts by quantitative nuclear magnetic resonance.

    PubMed

    Catchpole, Owen J; Grey, John B; Perry, Nigel B; Burgess, Elaine J; Redmond, Wayne A; Porter, Noel G

    2003-08-13

    Ginger, black pepper, and chili powder were extracted using near-critical carbon dioxide, propane, and dimethyl ether on a laboratory scale to determine the overall yield and extraction efficiency for selected pungent components. The temperature dependency of extraction yield and efficiency was also determined for black pepper and chili using propane and dimethyl ether. The pungency of the extracts was determined by using an NMR technique developed for this work. The volatiles contents of ginger and black pepper extracts were also determined. Extraction of all spice types was carried out with acetone to compare overall yields. Subcritical dimethyl ether was as effective at extracting the pungent principles from the spices as supercritical carbon dioxide, although a substantial amount of water was also extracted. Subcritical propane was the least effective solvent. All solvents quantitatively extracted the gingerols from ginger. The yields of capsaicins obtained by supercritical CO(2) and dimethyl ether were similar and approximately double that extracted by propane. The yield of piperines obtained by propane extraction of black pepper was low at approximately 10% of that achieved with dimethyl ether and CO(2), but improved with increasing extraction temperature.

  12. Carbon doped GaN buffer layer using propane for high electron mobility transistor applications: Growth and device results

    SciTech Connect

    Li, X.; Nilsson, D.; Danielsson, Ö.; Pedersen, H.; Janzén, E.; Forsberg, U.; Bergsten, J.; Rorsman, N.

    2015-12-28

    The creation of a semi insulating (SI) buffer layer in AlGaN/GaN High Electron Mobility Transistor (HEMT) devices is crucial for preventing a current path beneath the two-dimensional electron gas (2DEG). In this investigation, we evaluate the use of a gaseous carbon gas precursor, propane, for creating a SI GaN buffer layer in a HEMT structure. The carbon doped profile, using propane gas, is a two stepped profile with a high carbon doping (1.5 × 10{sup 18 }cm{sup −3}) epitaxial layer closest to the substrate and a lower doped layer (3 × 10{sup 16 }cm{sup −3}) closest to the 2DEG channel. Secondary Ion Mass Spectrometry measurement shows a uniform incorporation versus depth, and no memory effect from carbon doping can be seen. The high carbon doping (1.5 × 10{sup 18 }cm{sup −3}) does not influence the surface morphology, and a roughness root-mean-square value of 0.43 nm is obtained from Atomic Force Microscopy. High resolution X-ray diffraction measurements show very sharp peaks and no structural degradation can be seen related to the heavy carbon doped layer. HEMTs are fabricated and show an extremely low drain induced barrier lowering value of 0.1 mV/V, demonstrating an excellent buffer isolation. The carbon doped GaN buffer layer using propane gas is compared to samples using carbon from the trimethylgallium molecule, showing equally low leakage currents, demonstrating the capability of growing highly resistive buffer layers using a gaseous carbon source.

  13. Carbon doped GaN buffer layer using propane for high electron mobility transistor applications: Growth and device results

    NASA Astrophysics Data System (ADS)

    Li, X.; Bergsten, J.; Nilsson, D.; Danielsson, Ö.; Pedersen, H.; Rorsman, N.; Janzén, E.; Forsberg, U.

    2015-12-01

    The creation of a semi insulating (SI) buffer layer in AlGaN/GaN High Electron Mobility Transistor (HEMT) devices is crucial for preventing a current path beneath the two-dimensional electron gas (2DEG). In this investigation, we evaluate the use of a gaseous carbon gas precursor, propane, for creating a SI GaN buffer layer in a HEMT structure. The carbon doped profile, using propane gas, is a two stepped profile with a high carbon doping (1.5 × 1018 cm-3) epitaxial layer closest to the substrate and a lower doped layer (3 × 1016 cm-3) closest to the 2DEG channel. Secondary Ion Mass Spectrometry measurement shows a uniform incorporation versus depth, and no memory effect from carbon doping can be seen. The high carbon doping (1.5 × 1018 cm-3) does not influence the surface morphology, and a roughness root-mean-square value of 0.43 nm is obtained from Atomic Force Microscopy. High resolution X-ray diffraction measurements show very sharp peaks and no structural degradation can be seen related to the heavy carbon doped layer. HEMTs are fabricated and show an extremely low drain induced barrier lowering value of 0.1 mV/V, demonstrating an excellent buffer isolation. The carbon doped GaN buffer layer using propane gas is compared to samples using carbon from the trimethylgallium molecule, showing equally low leakage currents, demonstrating the capability of growing highly resistive buffer layers using a gaseous carbon source.

  14. Critical evaluation of Jet-A spray combustion using propane chemical kinetics in gas turbine combustion simulated by KIVA-2

    NASA Technical Reports Server (NTRS)

    Nguyen, H. L.; Ying, S.-J.

    1990-01-01

    Jet-A spray combustion has been evaluated in gas turbine combustion with the use of propane chemical kinetics as the first approximation for the chemical reactions. Here, the numerical solutions are obtained by using the KIVA-2 computer code. The KIVA-2 code is the most developed of the available multidimensional combustion computer programs for application of the in-cylinder combustion dynamics of internal combustion engines. The released version of KIVA-2 assumes that 12 chemical species are present; the code uses an Arrhenius kinetic-controlled combustion model governed by a four-step global chemical reaction and six equilibrium reactions. Researchers efforts involve the addition of Jet-A thermophysical properties and the implementation of detailed reaction mechanisms for propane oxidation. Three different detailed reaction mechanism models are considered. The first model consists of 131 reactions and 45 species. This is considered as the full mechanism which is developed through the study of chemical kinetics of propane combustion in an enclosed chamber. The full mechanism is evaluated by comparing calculated ignition delay times with available shock tube data. However, these detailed reactions occupy too much computer memory and CPU time for the computation. Therefore, it only serves as a benchmark case by which to evaluate other simplified models. Two possible simplified models were tested in the existing computer code KIVA-2 for the same conditions as used with the full mechanism. One model is obtained through a sensitivity analysis using LSENS, the general kinetics and sensitivity analysis program code of D. A. Bittker and K. Radhakrishnan. This model consists of 45 chemical reactions and 27 species. The other model is based on the work published by C. K. Westbrook and F. L. Dryer.

  15. High-temperature catalytic oxidative conversion of propane to propylene and ethylene involving coupling of exothermic and endothermic reactions

    SciTech Connect

    Choudhary, V.R.; Rane, V.H.; Rajput, A.M.

    2000-04-01

    Coupling of the exothermic catalytic oxidative conversion and endothermic thermal cracking (noncatalytic) reactions of propane to propylene and ethylene over the SrO/La{sub 2}O{sub 3}/SA5205 catalyst in the presence of steam and limited oxygen was investigated at different process conditions (temperature, 700--850 C; C{sub 3}H{sub 8}/O{sub 2} ratio in feed, 2.0--8.0; H{sub 2}O/C{sub 3}H{sub 8} ratio, 0.5--2.5; space velocity, 2,000--15,000 cm{sup 3}/g h). In the presence of steam and limited O{sub 2}, the endothermic thermal cracking and exothermic oxidative conversion reactions occur simultaneously and there is no coke formation on the catalyst. Because of the direct coupling of exothermic and endothermic reactions, this process occurs in a most energy efficient and safe manner. The propane conversion, selectivity for propylene, and net heat of reaction ({Delta}H{sub r}) in the process are strongly influenced by the temperature and concentration of O{sub 2} relative to the propane in the feed. The C{sub 3}H{sub 6}/C{sub 2}H{sub 4} product ratio is also strongly influenced by the temperature, C{sub 3}H{sub 8}/O{sub 2} feed ratio, and space velocity. The net heat of reaction can be controlled by manipulating the reaction temperature and C{sub 3}H{sub 8}/O{sub 2} ratio in the feed; the process exothermicity is reduced drastically with increasing the temperature and/or C{sub 3}H{sub 8}/O{sub 2} feed ratio.

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

    SciTech Connect

    Tsz-Keung, Cheung; d`Itri, J.L.; Lange, F.C.; Gates, B.C.

    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.

  17. Synthesis and spectral characterization of bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)propane

    NASA Astrophysics Data System (ADS)

    Subashchandrabose, S.; Thanikachalam, V.; Manikandan, G.; Saleem, H.; Erdogdu, Y.

    2016-03-01

    Bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)propane (BAMTP) was synthesized and characterized by FT-IR and FT-Raman spectra. Gas phase structure of BAMTP was examined under density functional theory B3LYP/6-311 ++G(d, p) level of basis set, wherein the molecule was subjected to conformational analysis. Thus the identified stable structure utilized for the calculations such as geometry optimization, vibrational behavior, hyperpolarizability analysis, natural bond orbital analysis, band gap, chemical hard/softness and stability. Geometry of BAMTP has been discussed elaborately with related crystal data. The results found from experimental and theoretical methods were reported herewith.

  18. New example of spontaneous resolution among aryl glycerol ethers: 3-(2,6-dichlorophenoxy)propane-1,2-diol

    NASA Astrophysics Data System (ADS)

    Bredikhina, Zemfira A.; Kurenkov, Alexey V.; Zakharychev, Dmitry V.; Krivolapov, Dmitry B.; Bredikhin, Alexander A.

    2016-08-01

    Using a set of simple tests, based on the properties of ideal conglomerate phase diagrams, it has been suggested to the conglomerate-formative nature of 3-(2,6-dichlorophenoxy)-propane-1,2-diol 1. Additional arguments have been drawn during the study of a single crystal X-ray diffraction study of the compound. The crystal packing details have been evaluated and discussed. Racemic 1 have been resolved into individual (S)- and (R)-components by a preferential crystallization procedure.

  19. Crystal structure of di­bromido­tetra­kis(propan-2-ol-κO)nickel(II)

    PubMed Central

    Lv, Yaokang; Liu, Mingxian; Ji, Lvlv; Zhang, Cheng; Ouyang, Mi

    2015-01-01

    The asymmetric unit of the mononuclear title complex, [NiBr2(C3H8O)4], comprises a NiII cation located on a centre of inversion, one Br− anion and two propan-2-ol ligands. The NiII cation exhibits a distorted trans-Br2O4 environment. There are O—H⋯Br hydrogen bonds connecting neighbouring mol­ecules into rows along [100]. These rows are arranged in a distorted hexa­gonal packing and are held together by van der Waals forces only. PMID:26870456

  20. Theoretical study of interactions between 2,2-Bis (ethylferrocenyl) propane and ammonium perchlorate at low temperature

    NASA Astrophysics Data System (ADS)

    Zhou, Junhong; Zhang, Wei; Yang, Jun; Jiang, Benzheng; Chen, Weiming

    2016-05-01

    In order to explore the interaction mechanism between 2,2-Bis (ethylferrocenyl) propane (GFP) and ammonium perchlorate (AP) at low temperature (below 250 °C), all the possible intermolecular interactions between GFP and AP were calculated. The calculations were performed in single molecule, cluster and slab models. The calculation results show that the interactions between GFP and AP at low temperature mainly come from GFP-H+ and GFP-NH4+ pair interactions. We speculate that the interaction mechanism between GFP and AP at low temperature is that GFP/H+ or GFP/NH4+ interactions cause GFP to be protonated, and then protonated GFP is to further oxidized.

  1. Microbial oxidation of methane, ethane, propane, and butane in marine gas seeps

    NASA Astrophysics Data System (ADS)

    Kinnaman, F. S.; Valentine, D. L.; Tyler, S.

    2005-12-01

    The microbial consumption of methane (C1), ethane (C2), propane (C3) and n-butane (nC4) in marine gas seeps was investigated using a stable isotope approach. Sediment samples were collected from the shallow hydrocarbon seeps at Coal Oil Point, Santa Barbara, CA and were used to quantify the natural distributions of C1-C4 hydrocarbons (concentrations and 13C) and as inoculum for laboratory experiments designed to quantify stable isotope fractionation associated with microbial C1-C4 consumption. Stable carbon isotope analyses of C1-C4 dissolved in pore fluids display significant enrichments in the 13C content of C1-C4 compared to the seep gas, and are interpreted as an indication of microbial oxidation. Distributions of sulfate in the sediment pore fluids indicate significant advection of pore fluids into the sediments likely driven by bubble flux. The advective flux of seawater into the sediments presumably expands the oxic zone and creates a habitat suitable for the aerobic oxidation of C1-C4. The maximum extent of oxidation was observed at a distance of 4-8 cm from individual gas vents, and at a depth of 6-10cm. Laboratory incubations of seep sediment demonstrate microbial consumption of C1-C4 hydrocarbons. Carbon and hydrogen isotope fractionation factors (ɛc and ɛh) for the aerobic oxidation of C1-C4 were determined as follows: ɛc was -31.4‰ ±1.6 for C1, -8.8‰ ±1.8 for C2, -5.4‰ ±0.7 for C3, and -3.1‰ ±0.7 for nC4; ɛh was -201.9‰ ±33.7, -62.7‰ ±7.4 for C2, and -16.3‰ ±2.0 for C3. Preferential oxidation of higher molecular weight hydrocarbons was noted in mixed gas incubations, along with possible inhibition of methane oxidation by the presence of C2-C4 gases. Application of the isotopic enrichment factors to observed pore water values indicates that as much as 75% of the dissolved hydrocarbons are consumed in the sediment.

  2. Synthesis and characterization of microporous inorganic membranes for propylene/propane separation

    NASA Astrophysics Data System (ADS)

    Ma, Xiaoli

    Membrane-based gas separation is promising for efficient propylene/propane (C3H6/C3H8) separation with low energy consumption and minimum environment impact. Two microporous inorganic membrane candidates, MFI-type zeolite membrane and carbon molecular sieve membrane (CMS) have demonstrated excellent thermal and chemical stability. Application of these membranes into C3H6/C3H 8 separation has not been well investigated. This dissertation presents fundamental studies on membrane synthesis, characterization and C3H 6/C3H8 separation properties of MFI zeolite membrane and CMS membrane. MFI zeolite membranes were synthesized on α-alumina supports by secondary growth method. Novel positron annihilation spectroscopy (PAS) techniques were used to non-destructively characterize the pore structure of these membranes. PAS reveals a bimodal pore structure consisting of intracrystalline zeolitic micropores of ~0.6 nm in diameter and irregular intercrystalline micropores of 1.4 to 1.8 nm in size for the membranes. The template-free synthesized membrane exhibited a high permeance but a low selectivity in C3H 6/C3H8 mixture separation. CMS membranes were synthesized by coating/pyrolysis method on mesoporous gamma-alumina support. Such supports allow coating of thin, high-quality polymer films and subsequent CMS membranes with no infiltration into support pores. The CMS membranes show strong molecular sieving effect, offering a high C3H 6/C3H8 mixture selectivity of ~30. Reduction in membrane thickness from 500 nm to 300 nm causes an increase in C3H8 permeance and He/N2 selectivity, but a decrease in the permeance of He, N 2 and C3H6 and C3H6/C 3H8 selectivity. This can be explained by the thickness dependent chain mobility of the polymer film resulting in final carbon membrane of reduced pore size with different effects on transport of gas of different sizes, including possible closure of C3H6-accessible micropores. CMS membranes demonstrate excellent C3H6/C 3H8 separation

  3. Accurate values of some thermodynamic properties for carbon dioxide, ethane, propane, and some binary mixtures.

    PubMed

    Velasco, Inmaculada; Rivas, Clara; Martínez-López, José F; Blanco, Sofía T; Otín, Santos; Artal, Manuela

    2011-06-30

    Quasicontinuous PρT data of CO(2), ethane, propane, and the [CO(2) + ethane] mixture have been determined along subcritical, critical, and supercritical regions. These data have been used to develop the optimal experimental method and to determine the precision of the results obtained when using an Anton Paar DMA HPM vibrating-tube densimeter. A comparison with data from reference EoS and other authors confirm the quality of our experimental setup, its calibration, and testing. For pure compounds, the value of the mean relative deviation is MRD(ρ) = 0.05% for the liquid phase and for the extended critical and supercritical region. For binary mixtures the mean relative deviation is MRD(ρ) = 0.70% in the range up to 20 MPa and MRD(ρ) = 0.20% in the range up to 70 MPa. The number of experimental points measured and their just quality have enable us to determine some derivated properties with satisfactory precision; isothermal compressibilities, κ(T), have been calculated for CO(2) and ethane (MRD(κ(T)) = 1.5%), isobaric expasion coefficients, α(P), and internal pressures, π(i), for CO(2) (MRD(α(P)) = 5% and MRD(π(i)) = 7%) and ethane (MRD(α(P)) = 7.5% and MRD(π(i)) = 8%). An in-depth discussion is presented on the behavior of the properties obtained along subcritical, critical, and supercritical regions. In addition, PuT values have been determined for water and compressed ethane from 273.19 to 463.26 K up to pressures of 190.0 MPa, using a device based on a 5 MHz pulsed ultrasonic system (MRD(u) = 0.1%). With these data we have calibrated the apparatus and have verified the adequacy of the operation with normal liquids as well as with some compressed gases. From density and speed of sound data of ethane, isentropic compressibilities, κ(s), have been obtained, and from these and our values for κ(T) and α(P), isobaric heat capacities, C(p), have been calculated with MRD(C(p)) = 3%, wich is within that of the EoS. PMID:21639086

  4. High-Pressure Micellar Solutions of Polystyrene-block-Polybutadiene and Polystyrene-block-Polyisoprene Solutions in Propane Exhibit Cloud-Pressure Reduction and Distinct Micellization End Points

    SciTech Connect

    Winoto, Winoto; Radosz, Maciej; Tan, Sugata; Hong, Kunlun; Mays, Jimmy

    2009-01-01

    Micellar solutions of polystyrene-block-polybutadiene and polystyrene-block-polyisoprene in propane are found to exhibit significantly lower cloud pressures than the corresponding hypothetical non-micellar solutions. Such a cloud-pressure reduction indicates the extent to which micelle formation enhances the apparent diblock solubility in near-critical and hence compressible propane. Pressure-temperature points beyond which no micelles can be formed, referred to as the micellization end points, are found to depend on the block type, size and ratio, and on the polymer concentration. For a given pressure, the micellization end-point temperature corresponds to the "critical micelle temperature." The cloud-pressure reduction and the micellization end point measured for styrene-diene diblocks in propane should be characteristic of all amphiphilic diblock copolymer solutions that form micelles in compressible solvents.

  5. Synergistic effect of mixing dimethyl ether with methane, ethane, propane, and ethylene fuels on polycyclic aromatic hydrocarbon and soot formation

    SciTech Connect

    Yoon, S.S.; Anh, D.H.; Chung, S.H.

    2008-08-15

    Characteristics of polycyclic aromatic hydrocarbon (PAH) and soot formation in counterflow diffusion flames of methane, ethane, propane, and ethylene fuels mixed with dimethyl ether (DME) have been investigated. Planar laser-induced incandescence and fluorescence techniques were employed to measure relative soot volume fractions and PAH concentrations, respectively. Results showed that even though DME is known to be a clean fuel in terms of soot formation, DME mixture with ethylene fuel increases PAH and soot formation significantly as compared to the pure ethylene case, while the mixture of DME with methane, ethane, and propane decreases PAH and soot formation. Numerical calculations adopting a detailed kinetics showed that DME can be decomposed to produce a relatively large number of methyl radicals in the low-temperature region where PAH forms and grows; thus the mixture of DME with ethylene increases CH{sub 3} radicals significantly in the PAH formation region. Considering that the increase in the concentration of O radicals is minimal in the PAH formation region with DME mixture, the enhancement of PAH and soot formation in the mixture flames of DME and ethylene can be explained based on the role of methyl radicals in PAH and soot formation. Methyl radicals can increase the concentration of propargyls, which could enhance incipient benzene ring formation through the propargyl recombination reaction and subsequent PAH growth. Thus, the result substantiates the importance of methyl radicals in PAH and soot formation, especially in the PAH formation region of diffusion flames. (author)

  6. Densities and vapor-liquid equilibria in binary mixtures formed by propyl methanoate + ethanol, + propan-1-ol, and + butan-1-ol at 160.0 kPa

    SciTech Connect

    Falcon, J.; Ortega, J.; Gonzalez, E.

    1996-07-01

    Densities and excess volumes were determined at 298.15 K for propyl methanoate + ethanol, + propan-1-ol, and + butan-1-ol. The results of those quantities were then correlated to get the concentrations of vapor-liquid equilibrium obtained isobarically at 160 kPa for the same mixtures. Two mixtures show azeotropes: for propyl methanoate (1) + ethanol (2), x{sub 1} = 0.443 at T = 358.7 K; and for propyl methanoate (1) + propan-1-ol (2), x{sub 1} = 0.762 at T = 368.2 K. The mixtures are thermodynamically consistent, and the predictions made using several group-contribution models are satisfactory.

  7. Propane σ-Complexes on PdO(101): Spectroscopic Evidence of the Selective Coordination and Activation of Primary C-H Bonds.

    PubMed

    Zhang, Feng; Pan, Li; Choi, Juhee; Mehar, Vikram; Diulus, John T; Asthagiri, Aravind; Weaver, Jason F

    2015-11-16

    Achieving selective C-H bond cleavage is critical for developing catalytic processes that transform small alkanes to value-added products. The present study clarifies the molecular-level origin for an exceptionally strong preference for propane to dissociate on the crystalline PdO(101) surface via primary C-H bond cleavage. Using reflection absorption infrared spectroscopy (RAIRS) and density functional theory (DFT) calculations, we show that adsorbed propane σ-complexes preferentially adopt geometries on PdO(101) in which only primary C-H bonds datively interact with the surface Pd atoms at low propane coverages and are thus activated under typical catalytic reaction conditions. We show that a propane molecule achieves maximum stability on PdO(101) by adopting a bidentate geometry in which a H-Pd dative bond forms at each CH3 group. These results demonstrate that structural registry between the molecule and surface can strongly influence the selectivity of a metal oxide surface in activating alkane C-H bonds. PMID:26420576

  8. Pd-Ag Membrane Coupled to a Two-Zone Fluidized Bed Reactor (TZFBR) for Propane Dehydrogenation on a Pt-Sn/MgAl2O4 Catalyst

    PubMed Central

    Medrano, José-Antonio; Julián, Ignacio; Herguido, Javier; Menéndez, Miguel

    2013-01-01

    Several reactor configurations have been tested for catalytic propane dehydrogenation employing Pt-Sn/MgAl2O4 as a catalyst. Pd-Ag alloy membranes coupled to the multifunctional Two-Zone Fluidized Bed Reactor (TZFBR) provide an improvement in propane conversion by hydrogen removal from the reaction bed through the inorganic membrane in addition to in situ catalyst regeneration. Twofold process intensification is thereby achieved when compared to the use of traditional fluidized bed reactors (FBR), where coke formation and thermodynamic equilibrium represent important process limitations. Experiments were carried out at 500–575 °C and with catalyst mass to molar flow of fed propane ratios between 15.1 and 35.2 g min mmol−1, employing three different reactor configurations: FBR, TZFBR and TZFBR + Membrane (TZFBR + MB). The results in the FBR showed catalyst deactivation, which was faster at high temperatures. In contrast, by employing the TZFBR with the optimum regenerative agent flow (diluted oxygen), the process activity was sustained throughout the time on stream. The TZFBR + MB showed promising results in catalytic propane dehydrogenation, displacing the reaction towards higher propylene production and giving the best results among the different reactor configurations studied. Furthermore, the results obtained in this study were better than those reported on conventional reactors. PMID:24958620

  9. Pd-Ag Membrane Coupled to a Two-Zone Fluidized Bed Reactor (TZFBR) for Propane Dehydrogenation on a Pt-Sn/MgAl2O4 Catalyst.

    PubMed

    Medrano, José-Antonio; Julián, Ignacio; Herguido, Javier; Menéndez, Miguel

    2013-01-01

    Several reactor configurations have been tested for catalytic propane dehydrogenation employing Pt-Sn/MgAl2O4 as a catalyst. Pd-Ag alloy membranes coupled to the multifunctional Two-Zone Fluidized Bed Reactor (TZFBR) provide an improvement in propane conversion by hydrogen removal from the reaction bed through the inorganic membrane in addition to in situ catalyst regeneration. Twofold process intensification is thereby achieved when compared to the use of traditional fluidized bed reactors (FBR), where coke formation and thermodynamic equilibrium represent important process limitations. Experiments were carried out at 500-575 °C and with catalyst mass to molar flow of fed propane ratios between 15.1 and 35.2 g min mmol-1, employing three different reactor configurations: FBR, TZFBR and TZFBR + Membrane (TZFBR + MB). The results in the FBR showed catalyst deactivation, which was faster at high temperatures. In contrast, by employing the TZFBR with the optimum regenerative agent flow (diluted oxygen), the process activity was sustained throughout the time on stream. The TZFBR + MB showed promising results in catalytic propane dehydrogenation, displacing the reaction towards higher propylene production and giving the best results among the different reactor configurations studied. Furthermore, the results obtained in this study were better than those reported on conventional reactors. PMID:24958620

  10. Structure of the two-subsite beta-D-xylosidase from Selenomonas ruminantium in complex with 1,3-bis[tris(hydroxymethyl)methylamino]propane

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The three-dimensional structure of the catalytically-efficient beta-xylosidase from Selenomonas ruminantium in complex with competitive inhibitor 1,3 bis[tris(hydroxymethyl)methylamino]propane (BTP) was determined by using X-ray crystallography (1.3 Å resolution). Most H bonds between inhibitor and...

  11. Base or nucleophile? DFT finally elucidates the origin of the selectivity between the competitive reactions triggered by MeLi or LDA on propanal.

    PubMed

    Marchois, J; Fressigné, C; Lecachey, B; Maddaluno, J

    2015-06-18

    The competition between basicity and nucleophilicity of two standard organolithium reagents was studied using DFT. Comparing the reactivity of solvated (MeLi)2 and (LDA)2 toward propanal finally explains why methyllithium adds onto the carbonyl while LDA deprotonates the α-position, in accord with experiment and Ireland's deprotonation TS.

  12. Carbon and hydrogen stable isotope fractionation associated with the anaerobic degradation of propane and butane by marine sulfate-reducing bacteria.

    PubMed

    Jaekel, Ulrike; Vogt, Carsten; Fischer, Anko; Richnow, Hans-Hermann; Musat, Florin

    2014-01-01

    The anaerobic degradation of propane and butane is typically initiated by activation via addition to fumarate. Here we investigated the mechanism of activation under sulfate-reducing conditions by one pure culture (strain BuS5) and three enrichment cultures employing stable isotope analysis. Stable isotope fractionation was compared for cultures incubated with or without substrate diffusion limitation. Bulk enrichment factors were significantly higher in mixed vs. static incubations. Two dimensional factors, given by the correlation of stable isotope fractionation of both carbon and hydrogen at their reactive positions (Lambda reactive position, Λrp), were compared to analyse the activation mechanisms. A characteristic reactive position isotope fractionation pattern was observed, distinct from aerobic degradation. Λrp values ranged from 10.5 to 11.8 for propane and from 7.8 to 9.4 for butane. Incubations of strain BuS5 with deuterium-labelled n-alkanes indicated that butane was activated solely at the subterminal C atom. In contrast, propane was activated mainly at the subterminal C atom but also significantly at the terminal C atoms. A conservative estimate suggests that about 70% of the propane activation events occurred at the subterminal C atom and about 30% at the terminal C atoms.

  13. Operando Raman spectroscopy study on the deactivation of Pt/Al2O3 and Pt-Sn/Al2O3 propane dehydrogenation catalysts.

    PubMed

    Sattler, Jesper J H B; Beale, Andrew M; Weckhuysen, Bert M

    2013-08-01

    The deactivation of 0.5 wt% Pt/Al2O3 and 0.5 wt% Pt-1.5 wt% Sn/Al2O3 catalysts has been studied by operando Raman spectroscopy during the dehydrogenation of propane and subsequent regeneration in air for 10 successive dehydrogenation-regeneration cycles. Furthermore, the reaction feed was altered by using different propane/propene/hydrogen ratios. It was found that the addition of hydrogen to the feed increases the catalyst performance and decreases the formation of coke deposits, as was revealed by thermogravimetrical analysis. The positive effect of hydrogen on the catalyst performance is comparable to the addition of Sn, a promoter element which increases both the propane conversion and propene selectivity. Operando Raman spectroscopy showed that hydrogen altered the nature of the coke deposits formed during propane dehydrogenation. Due to this approach it was possible to perform a systematic deconvolution procedure on the Raman spectra. By analysing the related intensity, band position and bandwidth of the different Raman features, it was determined that smaller graphite crystallites, which have less defects, are formed when the partial pressure of hydrogen in the feed was increased. PMID:23615824

  14. Highly sensitive and fast detection of propane-butane using a 3 μm quantum cascade laser.

    PubMed

    Jágerská, Jana; Tuzson, Béla; Looser, Herbert; Bismuto, Alfredo; Faist, Jérôme; Prinz, Heino; Emmenegger, Lukas

    2013-07-01

    A mid-IR optical analyzer based on a 3 μm Fabry-Perot quantum cascade laser has been developed for ultrafast detection of aerosol propellants, such as propane and butane. Given the laser emission bandwidth of 35 cm(-1), the system is spectrally well-matched to the C-H vibrational band of hydrocarbons, it is insusceptible to water interference, and stable enough to operate without wavelength scanning. Thus, it offers both high sensitivity and speed, reaching 1 ppm precision within a measurement time of 10 ms. The performance of the instrument is evaluated with an industrial demonstrator for aerosol cans leak testing, confirming that, in compliance with international directives, it can detect leaks of 1.2×10(-4) slpm at a rate of 500 cans per minute.

  15. Study of the conditions necessary for propane-jet freezing of fresh biological tissues without detectable ice formation.

    PubMed

    Haggis, G H

    1986-09-01

    The performance of a commercial double-propane-jet freezer (Balzers QFD 101) has been assessed, for rapid freezing of fresh tissues in freeze-etch work. Samples of diaphragm muscle and intestinal villi were frozen between copper sheets, with a spacer to give 20-30 microns thickness of tissue. Fracture cuts were made with the Balzers BAF 400 freeze-etch microtome within 5-10 microns of a freezing face (i.e. a tissue face in contact with the copper sheets of the frozen sandwich). After some modifications to the QFD 101, replicas showing no evidence of ice were obtained of muscle cells, although for intestinal epithelial cells some evidence of ice formation was found. Infiltration with 5% glycerol or dimethylsulphoxide improves the depth of good freezing. Results and problems arising from such infiltration are briefly discussed. PMID:3537302

  16. Effect of supplementation of water vapor to the environmental characteristics of the combustion of propane-air mixture

    NASA Astrophysics Data System (ADS)

    Larionov, V. M.; Mitrofanov, G. A.; Iovleva, O. V.

    2014-11-01

    To improve the efficiency of combustion of fuel gas and air can be used additive steam. The article presents the results of an experimental study of the influence of water vapor on the combustion of propane-butane mixture with air. Combustion mixture produced in a modified Bunsen burner. Studies carried change of steam temperature of 180 to 260 degrees Celsius, and the change of the specific volume steam in the composition of the fuel mixture. Influence steam on combustion was estimated by the change of temperature of heating the quartz tube. It has been established that the increase of the steam temperature and increasing the specific volume of the heated vapor in the composition of the gaseous fuel increases the temperature of combustion.

  17. Effects of percentage of blockage and flameholder downstream counterbores on lean combustion limits of premixed, prevaporized propane-air mixture

    NASA Technical Reports Server (NTRS)

    Fernandez, M. A. B.

    1983-01-01

    Lean combustion limits were determined for a premixed prevaporized propane air mixture with flat plate flame stabilizers. Experiments were conducted in a constant area flame tube combustor utilizing flameholders of varying percentages of blockage and downstream counterbores. Combustor inlet air velocity at ambient conditions was varied from 4 to 9 meters per second. Flameholders with a center hole and four half holes surrounding it were tested with 63, 73, and 85 percent blockage and counterbore diameters of 112 and 125 percent of the thru hole diameter, in addition to the no counterbore configuration. Improved stability was obtained by using counterbore flameholders and higher percentages of blockage. Increases in mixture velocity caused the equivalence ratio at blowout to increase in all cases.

  18. Infinite dilution mutual diffusion coefficients of 1-octene and 1-tetradecane in near-critical ethane and propane

    SciTech Connect

    Noel, J.M.; Erkey, C.; Bukur, D.B.; Akgerman, A. . Chemical Engineering Dept.)

    1994-10-01

    The Fischer-Tropsch synthesis (FTS) is a method for converting synthesis gas into petroleum products such as gasoline and diesel fuel. The FTS can be carried out in the gas phase using fixed bed reactors or in the liquid phase in a slurry reactor. Effective pore diffusion is a rate-controlling phenomenon in both reactor types. The authors have utilized the Taylor dispersion technique to measure the infinite dilution mutual diffusion coefficients of 1-octene and 1-tetradecane in subcritical and supercritical ethane and in subcritical propane in the temperature range 293.15--338.15 K and the pressure range 5.52--11.03 MPa. For ethane, the measurements were done on either side of the critical temperature with the pressure above the critical pressure.

  19. Performance and efficiency evaluations of new fluorinated ethers, propanes, and butanes. Report for January-April 1993

    SciTech Connect

    Gage, C.L.; Kazachki, G.S.

    1993-01-01

    The paper gives results of a thermodynamic evaluation that investigates the performance of 15 new chemicals as refrigerants, the impact of the new chemicals on compressor size and operating characteristics, and the efficiency of the refrigerants in vapor compression cycles. Their efficiency in the basic vapor compression cycle is low, but improves substantially in a cycle with internal heat exchange. Several alternatives are identified as promising replacements. As a step in evaluating the potential performance of the 15 compounds, the evaluation using limited property data was performed on the chemicals for use as refrigerants in supermarket, chiller, refrigerator/freezer, heat pump, and air conditioning applications. The 15 chemicals included 10 fluorinated propanes, 3 fluorinated butanes, and 2 fluorinated ethers which are potential chlorofluorocarbon (CFC) and hydrochlorofluorocarbon replacements.

  20. Conversion of propan-2-ol on zeolites LaNaY and HY investigated by gas chromatography and in situ MAS NMR spectroscopy under continuous-flow conditions

    SciTech Connect

    Hunger, M.; Horvath, T.

    1997-04-01

    The conversion of propan-2-ol on zeolites HY and LaNaY has been investigated by gas chromatography (GC) and in situ {sup 1}H and {sup 13}C MAS NMR spectroscopy under continuous-flow conditions using a new MAS NMR microreactor with cylindrical catalyst bed. At reaction temperatures of T = 373 K and T = 393 K a propan-2-ol conversion of 50 and 100%, respectively, and the formation of propene, diisopropyl. ether, and small amounts of acetone was determined by GC. Applying in situ {sup 1}H and {sup 13}C MAS NMR spectroscopy, the initial step of the reaction was found to be the physisorption of propan-2-ol on Bronsted acid sites. A formation of isopropoxy species could be excluded by {sup 13}C MAS NMR spectroscopy. {sup 1}H MAS NMR spectroscopy indicated that the Bronsted acid sites of the zeolites LaNaY and HY were hydrated by water molecules in the first part of the induction period. These water molecules were formed in result of the propan-2-ol dehydration. The strong low-field shift of the {sup 1}H MAS NMR signals of the hydrated Bronsted acid sites is due to a partial protonation of adsorbed water molecules. At T = 393 K, a significant {sup 13}C MAS NMR signal of strongly bonded acetone molecules appeared at 220 ppm in the spectra of zeolites LaNaY and HY. As demonstrated by propan-2-ol conversion on a partially dealuminated zeolite HY, this by-reaction is promoted by extra-framework aluminium species. The formation of coke precursors which caused {sup 13}C MAS NMR signals at 10-50 ppm is explained by an oligomerization of propene. In situ {sup 13}C MAS NMR experiments carried out under a continuous flow of propene showed that the above-mentioned coke precursors are also formed on partially rehydrated zeolite HY. 25 refs., 14 figs., 1 tab.

  1. Laboratory measurements of cross sections of propane in the 7 - 15 μm using FT-IR at cold temperatures

    NASA Astrophysics Data System (ADS)

    Sung, K.; Toon, G. C.; Brown, L. R.; Mantz, A. W.; Smith, M. A.

    2012-12-01

    Propane (C3H8) is one of the most abundant non-methane hydrocarbons (NMHC) in the natural environment of the Earth. In addition to biogenic and anthropogenic emissions, the natural degassing from geological processes is also reported to be a significant source (Etiope and Ciccioli, Science, 323, 478, 1999). At Titan, propane is an important component of the photochemistry and may provide insights into pre-biotic chemistry. To support atmospheric remote sensing of propane, absorption cross sections of N2-broadened C3H8 were obtained at temperatures between 145 and 296 K at the Jet Propulsion Laboratory. For this, 17 spectra of pure- and N2-broadened propane were recorded in the 690 to 1550 cm-1 region using a Fourier transform spectrometer (Bruker IFS-125HR) configured with a 20.38 cm long temperature-stabilized cryogenic absorption cell, developed at Connecticut College (Mantz, et al., Mol.Spectrosc. Symposium at OSU, 2010; Sung et al. JMS, 262, 122, 2010). We report the absorption cross sections at the various cold temperatures for several strong propane bands in the region. In addition, we present empirical positions, intensities, and lower state energies' determined by fitting "pseudo-lines" to the high-resolution laboratory spectra, (see http://mark4sun.jpl.nasa.gov/data/ spec/Pseudo/Readme). The resulting compilation will be compared to earlier work, including the C3H8+N2 spectra recorded at PNNL (Sharpe, et al. Appl Spectrosc 58, 1452, 2004) and available line-by-line predictions (Flaud et al., J Chem Phys 114, 9361, 2001; Flaud et al. Mol Phys 108, 699, 2010). [ Research described in this paper was performed at the Jet Propulsion Laboratory, California Institute of Technology, Connecticut College, and NASA Langley Research Center, under contracts and cooperative agreements with the National Aeronautics and Space Administration.

  2. TIME-VARYING FLAME IONIZATION SENSING APPLIED TO NATURAL GAS AND PROPANE BLENDS IN A PRESSURIZED LEAN PREMIXED (LPM) COMBUSTOR

    SciTech Connect

    D. L. Straub; B. T. Chorpening; E. D. Huckaby; J. D. Thornton; W. L. Fincham

    2008-06-13

    In-situ monitoring of combustion phenomena is a critical need for optimal operation and control of advanced gas turbine combustion systems. The concept described in this paper is based on naturally occurring flame ionization processes that accompany the combustion of hydrocarbon fuels. Previous work has shown that flame ionization techniques may be applied to detect flashback, lean blowout, and some aspects of thermo-acoustic combustion instabilities. Previous work has focused on application of DC electric fields. By application of time-varying electric fields, significant improvements to sensor capabilities have been observed. These data have been collected in a lean premixed combustion test rig operating at 0.51-0.76 MPa (5-7.5 atm) with air preheated to 588 K (600°F). Five percent of the total fuel flow is injected through the centerbody tip as a diffusion pilot. The fuel composition is varied independently by blending approximately 5% (volume) propane with the pipeline natural gas. The reference velocity through the premixing annulus is kept constant for all conditions at a nominal value of 70 m/s. The fuel-air equivalence ratio is varied independently from 0.46 – 0.58. Relative to the DC field version, the time-varying combustion control and diagnostic sensor (TV-CCADS) shows a significant improvement in the correlation between the measured flame ionization current and local fuel-air equivalence ratio. In testing with different fuel compositions, the triangle wave data show the most distinct change in flame ionization current in response to an increase in propane content. Continued development of this sensor technology will improve the capability to control advanced gas turbine combustion systems, and help address issues associated with variations in fuel supplies.

  3. Ignition of ethane, propane, and butane in counterflow jets of cold fuel versus hot air under variable pressures

    SciTech Connect

    Fotache, C.G.; Wang, H.; Law, C.K.

    1999-06-01

    This study investigates experimentally the nonpremixed ignition of ethane, propane, n-butane, and isobutane in a configuration of opposed fuel versus heated air jets. For each of these fuels the authors explore the effects of inert dilution, system pressure, and flow strain rate, for fuel concentrations ranging between 3--100% by volume, pressures between 0.2 and 8 atm, and strain rates of 100--600 s{sup {minus}1}. Qualitatively, these fuels share a number of characteristics. First, flame ignition typically occurs after an interval of mild oxidation, characterized by minimal heat release, fuel conversion, and weak light emission. The temperature extent of this regime decreases with increasing the fuel concentration, the ambient pressure, or the flow residence time. Second, the response to strain rate, pressure, and fuel concentration is similar for all investigated fuels, in that the ignition temperatures monotonically decrease with increasing fuel content, decreasing flow strain, and increasing ambient pressure. The C{sub 4} alkanes, however, exhibit three distinct p-T ignition regimes, similar to the homogeneous explosion limits. Finally, at 1 atm, 100% fuel, and a fixed flow strain rate the ignition temperature increases in the order of ethane < propane < n-butane < i-butane. Numerical simulation was conducted for ethane ignition using detailed reaction kinetics and transport descriptions. The modeling results suggest that ignition for all fuels studied at pressures below 5 atm is initiated by fuel oxidation following the high-temperature mechanism of radical chain branching and with little contribution by low-to-intermediate temperature chemistry.

  4. Compressible Solution Properties of Amorphous Polystyrene-block-Polybutadiene, Crystalline Polystyrene-block-Poly(Hydrogenated Polybutadiene) and Their Corresponding Homopolymers: Fluid-Fluid, Fluid-Solid and Fluid-Micelle Phase Transitions in Propane and Propylene

    SciTech Connect

    Hong, Kunlun; Mays, Jimmy; Winoto, Winoto; Radosz, Maciej

    2009-01-01

    Abstract Polystyrene, polybutadiene, hydrogenated polybutadiene, and styrene diblock copolymers of these homopolymers can form homogenous solutions in compressible solvents, such as propane and propylene, which separate into two bulk phases upon reducing pressure. The cloud and micellization pressures for homopolymer and diblock copolymers are generally found to be higher in propane than in propylene, except for hydrogenated polybutadiene and polystyrene-block-(hydrogenated polybutadiene). Hydrogenated polybutadiene homopolymers and copolymers exhibit relatively pressure-independent crystallization and melting observed in both propane and propylene solutions.

  5. Complex chemical composition of colored surface films formed from reactions of propanal in sulfuric acid at upper troposphere/lower stratosphere aerosol acidities

    PubMed Central

    Van Wyngarden, A. L.; Pérez-Montaño, S.; Bui, J. V. H.; Li, E. S. W.; Nelson, T. E.; Ha, K. T.; Leong, L.; Iraci, L. T.

    2016-01-01

    Particles in the upper troposphere and lower stratosphere (UT/LS) consist mostly of concentrated sulfuric acid (40–80 wt %) in water. However, airborne measurements have shown that these particles also contain a significant fraction of organic compounds of unknown chemical composition. Acid-catalyzed reactions of carbonyl species are believed to be responsible for significant transfer of gas phase organic species into tropospheric aerosols and are potentially more important at the high acidities characteristic of UT/LS particles. In this study, experiments combining sulfuric acid (H2SO4) with propanal and with mixtures of propanal with glyoxal and/or methylglyoxal at acidities typical of UT/LS aerosols produced highly colored surface films (and solutions) that may have implications for aerosol properties. In order to identify the chemical processes responsible for the formation of the surface films, attenuated total reflectance–Fourier transform infrared (ATR-FTIR) and 1H nuclear magnetic resonance (NMR) spectroscopies were used to analyze the chemical composition of the films. Films formed from propanal were a complex mixture of aldol condensation products, acetals and propanal itself. The major aldol condensation products were the dimer (2-methyl-2-pentenal) and 1,3,5-trimethylbenzene that was formed by cyclization of the linear aldol condensation trimer. Additionally, the strong visible absorption of the films indicates that higher-order aldol condensation products must also be present as minor species. The major acetal species were 2,4,6-triethyl-1,3,5-trioxane and longer-chain linear polyacetals which are likely to separate from the aqueous phase. Films formed on mixtures of propanal with glyoxal and/or methylglyoxal also showed evidence of products of cross-reactions. Since cross-reactions would be more likely than self-reactions under atmospheric conditions, similar reactions of aldehydes like propanal with common aerosol organic species like glyoxal and

  6. Complex chemical composition of colored surface films formed from reactions of propanal in sulfuric acid at upper troposphere/lower stratosphere aerosol acidities

    NASA Astrophysics Data System (ADS)

    Van Wyngarden, A. L.; Pérez-Montaño, S.; Bui, J. V. H.; Li, E. S. W.; Nelson, T. E.; Ha, K. T.; Leong, L.; Iraci, L. T.

    2014-11-01

    Particles in the upper troposphere and lower stratosphere (UT/LS) consist mostly of concentrated sulfuric acid (40-80 wt %) in water. However, airborne measurements have shown that these particles also contain a significant fraction of organic compounds of unknown chemical composition. Acid-catalyzed reactions of carbonyl species are believed to be responsible for significant transfer of gas phase organic species into tropospheric aerosols and are potentially more important at the high acidities characteristic of UT/LS particles. In this study, experiments combining sulfuric acid (H2SO4) with propanal and with mixtures of propanal with glyoxal and/or methylglyoxal at acidities typical of UT/LS aerosols produced highly colored surface films (and solutions) that may have implications for aerosol properties. In order to identify the chemical processes responsible for the formation of the surface films, Attenuated Total Reflectance-Fourier Transform Infrared and 1H Nuclear Magnetic Resonance spectroscopies were used to analyze the chemical composition of the films. Films formed from propanal were a complex mixture of aldol condensation products, acetals and propanal itself. The major aldol condensation products were the dimer (2-methyl-2-pentenal) and 1,3,5-trimethylbenzene, which was formed by cyclization of the linear aldol condensation trimer. Additionally, the strong visible absorption of the films indicates that higher order aldol condensation products must also be present as minor species. The major acetal species were 2,4,6-triethyl-1,3,5-trioxane and longer-chain linear polyacetals which are likely to separate from the aqueous phase. Films formed on mixtures of propanal with glyoxal and/or methylglyoxal also showed evidence for products of cross-reactions. Since cross-reactions would be more likely than self-reactions under atmospheric conditions, similar reactions of aldehydes like propanal with common aerosol organic species like glyoxal and methylglyoxal

  7. Complex chemical composition of colored surface films formed from reactions of propanal in sulfuric acid at upper troposphere/lower stratosphere aerosol acidities

    NASA Astrophysics Data System (ADS)

    Van Wyngarden, A. L.; Pérez-Montaño, S.; Bui, J. V. H.; Li, E. S. W.; Nelson, T. E.; Ha, K. T.; Leong, L.; Iraci, L. T.

    2015-04-01

    Particles in the upper troposphere and lower stratosphere (UT/LS) consist mostly of concentrated sulfuric acid (40-80 wt%) in water. However, airborne measurements have shown that these particles also contain a significant fraction of organic compounds of unknown chemical composition. Acid-catalyzed reactions of carbonyl species are believed to be responsible for significant transfer of gas phase organic species into tropospheric aerosols and are potentially more important at the high acidities characteristic of UT/LS particles. In this study, experiments combining sulfuric acid (H2SO4) with propanal and with mixtures of propanal with glyoxal and/or methylglyoxal at acidities typical of UT/LS aerosols produced highly colored surface films (and solutions) that may have implications for aerosol properties. In order to identify the chemical processes responsible for the formation of the surface films, attenuated total reflectance-Fourier transform infrared (ATR-FTIR) and 1H nuclear magnetic resonance (NMR) spectroscopies were used to analyze the chemical composition of the films. Films formed from propanal were a complex mixture of aldol condensation products, acetals and propanal itself. The major aldol condensation products were the dimer (2-methyl-2-pentenal) and 1,3,5-trimethylbenzene that was formed by cyclization of the linear aldol condensation trimer. Additionally, the strong visible absorption of the films indicates that higher-order aldol condensation products must also be present as minor species. The major acetal species were 2,4,6-triethyl-1,3,5-trioxane and longer-chain linear polyacetals which are likely to separate from the aqueous phase. Films formed on mixtures of propanal with glyoxal and/or methylglyoxal also showed evidence of products of cross-reactions. Since cross-reactions would be more likely than self-reactions under atmospheric conditions, similar reactions of aldehydes like propanal with common aerosol organic species like glyoxal and

  8. ZnO modified ZSM-5 and Y zeolites fabricated by atomic layer deposition for propane conversion.

    PubMed

    Gong, Ting; Qin, Lijun; Lu, Jian; Feng, Hao

    2016-01-01

    ZnO modified ZSM-5 and Y zeolites are synthesized by performing atomic layer deposition (ALD) of ZnO to HZSM-5 and HY using diethyl zinc and water as the precursors. The surface area and pore volume of ZSM-5 and Y zeolites are progressively reduced with the increasing number of ZnO ALD cycles. XRD and SEM characterization methods show that highly dispersed ZnO species are deposited on the internal and external surfaces of both zeolites. The ZnO species deposited on ZSM-5 are in an amorphous form while nano-crystallites of ZnO are present on Y zeolites after performing ≥2 cycles of ZnO ALD. XPS and TPR characterization methods reveal that isolated Zn(OH)(+) species are predominantly formed on both zeolites after the first cycle of ZnO ALD and the ZnO clusters gradually grow larger with the increasing number of ALD cycles. The type and strength of acid sites on the parent and the ALD ZnO modified zeolites are studied by FTIR spectra of adsorbed pyridine. Incorporation of ZnO into Y zeolite by ALD completely eliminates the Brønsted acid sites and increases the number of strong Lewis acid sites. Similar effects are obtained on ALD ZnO modified ZSM-5 except that the Brønsted acid sites are only partially removed. Catalytic properties of the ALD ZnO modified zeolites are evaluated in propane conversion. Introduction of ZnO species significantly improves the activities of both zeolites. Propylene is the major reaction product on ALD ZnO modified Y zeolite while high selectivities to aromatics are achieved on ALD ZnO modified ZSM-5. These results suggest that ZnO species merely promote the dehydrogenation reaction while the subsequent oligomerization and cyclization reactions require Brønsted acid sites. For both zeolites the catalyst fabricated by only 1 or 2 cycles of ZnO ALD performs better than those fabricated by multiple cycles of ALD, indicating that isolated Zn(OH)(+) species are more effective for the conversion of propane to propylene and aromatics. PMID

  9. ZnO modified ZSM-5 and Y zeolites fabricated by atomic layer deposition for propane conversion.

    PubMed

    Gong, Ting; Qin, Lijun; Lu, Jian; Feng, Hao

    2016-01-01

    ZnO modified ZSM-5 and Y zeolites are synthesized by performing atomic layer deposition (ALD) of ZnO to HZSM-5 and HY using diethyl zinc and water as the precursors. The surface area and pore volume of ZSM-5 and Y zeolites are progressively reduced with the increasing number of ZnO ALD cycles. XRD and SEM characterization methods show that highly dispersed ZnO species are deposited on the internal and external surfaces of both zeolites. The ZnO species deposited on ZSM-5 are in an amorphous form while nano-crystallites of ZnO are present on Y zeolites after performing ≥2 cycles of ZnO ALD. XPS and TPR characterization methods reveal that isolated Zn(OH)(+) species are predominantly formed on both zeolites after the first cycle of ZnO ALD and the ZnO clusters gradually grow larger with the increasing number of ALD cycles. The type and strength of acid sites on the parent and the ALD ZnO modified zeolites are studied by FTIR spectra of adsorbed pyridine. Incorporation of ZnO into Y zeolite by ALD completely eliminates the Brønsted acid sites and increases the number of strong Lewis acid sites. Similar effects are obtained on ALD ZnO modified ZSM-5 except that the Brønsted acid sites are only partially removed. Catalytic properties of the ALD ZnO modified zeolites are evaluated in propane conversion. Introduction of ZnO species significantly improves the activities of both zeolites. Propylene is the major reaction product on ALD ZnO modified Y zeolite while high selectivities to aromatics are achieved on ALD ZnO modified ZSM-5. These results suggest that ZnO species merely promote the dehydrogenation reaction while the subsequent oligomerization and cyclization reactions require Brønsted acid sites. For both zeolites the catalyst fabricated by only 1 or 2 cycles of ZnO ALD performs better than those fabricated by multiple cycles of ALD, indicating that isolated Zn(OH)(+) species are more effective for the conversion of propane to propylene and aromatics.

  10. TECHNICAL JUSTIFICATION FOR CHOOSING PROPANE AS A CALIBRATION AGENT FOR TOTAL FLAMMABLE VOLATILE ORGANIC COMPOUND (VOC) DETERMINATIONS

    SciTech Connect

    DOUGLAS, J.G.

    2006-07-06

    This document presents the technical justification for choosing and using propane as a calibration standard for estimating total flammable volatile organic compounds (VOCs) in an air matrix. A propane-in-nitrogen standard was selected based on a number of criteria: (1) has an analytical response similar to the VOCs of interest, (2) can be made with known accuracy and traceability, (3) is available with good purity, (4) has a matrix similar to the sample matrix, (5) is stable during storage and use, (6) is relatively non-hazardous, and (7) is a recognized standard for similar analytical applications. The Waste Retrieval Project (WRP) desires a fast, reliable, and inexpensive method for screening the flammable VOC content in the vapor-phase headspace of waste containers. Table 1 lists the flammable VOCs of interest to the WRP. The current method used to determine the VOC content of a container is to sample the container's headspace and submit the sample for gas chromatography--mass spectrometry (GC-MS) analysis. The driver for the VOC measurement requirement is safety: potentially flammable atmospheres in the waste containers must be allowed to diffuse prior to processing the container. The proposed flammable VOC screening method is to inject an aliquot of the headspace sample into an argon-doped pulsed-discharge helium ionization detector (Ar-PDHID) contained within a gas chromatograph. No actual chromatography is performed; the sample is transferred directly from a sample loop to the detector through a short, inert transfer line. The peak area resulting from the injected sample is proportional to the flammable VOC content of the sample. However, because the Ar-PDHID has different response factors for different flammable VOCs, a fundamental assumption must be made that the agent used to calibrate the detector is representative of the flammable VOCs of interest that may be in the headspace samples. At worst, we desire that calibration with the selected calibrating

  11. Studies on Pt{sub x}Sn{sub y} bimetallics in NaY. II. Further characterization and catalytic properties in the dehydrogenation and hydrogenolysis of propane

    SciTech Connect

    Meriaudeau, P.; Thangaraj, A.; Dutel, J.F.; Naccache, C.

    1997-04-01

    CO adsorption and desorption, as studied by IR spectroscopy and mass spectrometry has been used to characterize PtNaY and Pt{sub x}Sn{sub y}NaY samples. The change observed between adsorbed CO spectra and CO TPD has been attributed to an increase of the particle sizes due to the addition of Sn to Pt. The catalytic properties of these materials were studied by using propane dehydrogenation and propane hydrogenolysis. The TOF of propene formation is nearly the same for all samples and the apparent activation energy remains unchanged, indicating that no change in the Pt dehydrogenation properties is induced by adding Sn. In contrast the hydrogenolysis properties are deeply depressed by alloying Pt to Sn, these changes being attributed to a dilution effect rather than to an electronic effect. 20 refs., 9 figs., 2 tabs.

  12. Effect of primary-zone water injection on pollutants from a combustor burning liquid ASTM A-1 and vaporized propane fuels

    NASA Technical Reports Server (NTRS)

    Ingebo, R. D.; Norgren, C. T.

    1973-01-01

    A combustor segment 0.457 meter (18 in.) long with a maximum cross section of 0.153 by 0.305 meter (6 by 12 in.) was operated at inlet-air temperatures of 590 and 700 K, inlet-air pressures of 4 and 10 atmospheres, and fuel-air ratios of 0.014 and 0.018 to determine the effect of primary-zone water injection on pollutants from burning either propane or ASTM A-1 fuel. At a simulated takeoff condition of 10 atmospheres and 700 K, multiple-orifice nozzles used to inject water at 1 percent of the airflow rate reduced nitrogen oxides 75 percent with propane and 65 percent with ASTM A-1 fuel. Although carbon monoxide and unburned hydrocarbons increased with water injection, they remained relatively low; and smoke numbers were well below the visibility limit.

  13. In Silico Design of Highly Selective Mo-V-Te-Nb-O Mixed Metal Oxide Catalysts for Ammoxidation and Oxidative Dehydrogenation of Propane and Ethane.

    PubMed

    Cheng, Mu-Jeng; Goddard, William A

    2015-10-21

    We used density functional theory quantum mechanics with periodic boundary conditions to determine the atomistic mechanism underlying catalytic activation of propane by the M1 phase of Mo-V-Nb-Te-O mixed metal oxides. We find that propane is activated by Te═O through our recently established reduction-coupled oxo activation mechanism. More importantly, we find that the C-H activation activity of Te═O is controlled by the distribution of nearby V atoms, leading to a range of activation barriers from 34 to 23 kcal/mol. On the basis of the new insight into this mechanism, we propose a synthesis strategy that we expect to form a much more selective single-phase Mo-V-Nb-Te-O catalyst. PMID:26423704

  14. Nanostructure of Solid Precipitates Obtained by Expansion of Polystyrene-block-Polybutadiene Solutions in Near Critical Propane: Block Ratio and Micellar Solution Effects

    PubMed Central

    Green, Jade; Tyrrell, Zachary; Radosz, Maciej; Hong, Kunlun; Mays, Jimmy W.

    2011-01-01

    In contrast to incompressible liquid solutions, compressible near-critical solutions of block copolymers allow for controlling rapid structure transformations with pressure alone. For example, when dissolved in near-critical propane, polystyrene-block-polybutadiene can form a random molecular solution at high pressures, a micellar solution at moderate pressures, and a solvent-free precipitate at low pressures. In contrast to the unstructured virgin copolymer, such a propane-treated precipitate rapidly self assembles toward structures characteristic of equilibrated block copolymers, such as lamellae, spheres or cylinders, which depend on the block ratio rather than on the decompression rate or temperature, at least within the rate and temperature ranges investigated in this work. At lower temperatures, however, say below 40 °C, glass transition of the styrene-butadiene diblocks can inhibit independent structure formation while crystallization of their hydrogenated-butadiene analogs can preserve the micellar-solution structure. PMID:21686070

  15. Nanostructure of Solid Precipitates Obtained by Expansion of Polystyrene-block-Polybutadiene Solutions in Near Critical Propane: Block Ratio and Micellar Solution Effects

    SciTech Connect

    Green, Jade; Tyrrell, Zachary; Radosz, Maciej; Hong, Kunlun; Mays, Jimmy

    2011-01-01

    In contrast to incompressible liquid solutions, compressible near-critical solutions of block copolymers allow for controlling rapid structure transformations with pressure alone. For example, when dissolved in near-critical propane, polystyrene-block-polybutadiene can form a random molecular solution at high pressures, a micellar solution at moderate pressures, and a solvent-free precipitate at low pressures. In contrast to the unstructured virgin copolymer, such a propane-treated precipitate rapidly self-assembles toward structures characteristic of equilibrated block copolymers, such as lamellae, spheres, or cylinders, which depend on the block ratio rather than on the decompression rate or temperature, at least within the rate and temperature ranges investigated in this work. At lower temperatures, however, say below 40 C, glass transition of the styrene-butadiene diblocks can inhibit independent structure formation, while crystallization of their hydrogenated-butadiene analogues can preserve the micellar-solution structure.

  16. Deuteration Can Impact Micellization Pressure and Cloud Pressure of Polystyrene-block-polybutadiene and Polystyrene-block-polyisoprene in Compressible Propane

    SciTech Connect

    Winoto, Winoto; Shen, Youqin; Radosz, Maciej; Hong, Kunlun; Mays, Jimmy

    2009-01-01

    The deuterated homopolymers and their corresponding polystyrene-block-polybutadiene and polystyrene-block-polyisoprene copolymers require lower cloud pressures than their hydrogenous analogues to dissolve in a compressible alkane solvent, such as propane. For symmetric diblocks, deuteration reduces the micellization pressure. By contrast, for asymmetric diblocks with a long diene block relative to the styrene block, deuteration can increase the micellization pressure. All in all, however, the deuteration effects, while measurable, do not qualitatively change the principal diblock properties in compressible propane solutions, such as pressure-induced micelle decomposition, micelle formation and micelle size, and their temperature dependence. Therefore, isotope labeling should be a useful approach to neutron-scattering characterization for styrene-diene block copolymers in compressible alkane systems.

  17. Modeling nitrogen and methane with ethane and propane gas hydrates at low temperatures (173-290 K) with applications to Titan

    NASA Astrophysics Data System (ADS)

    Marion, G. M.; Kargel, J. S.; Tan, S. P.

    2015-09-01

    The FREZCHEM model was primarily designed for cold temperatures (173-298 K) and high pressures (1-1000 bars). Nitrogen gas (95.0%) and methane gas (5.0%) are major gases on the surface of Titan. Recently, we added nitrogen and methane gas hydrates to FREZCHEM model on Titan; and nitrogen-methane gas hydrates formed on Titan at 178 K. The other common but less abundant gases on Titan are ethane (C2H6) and propane (C3H8) that can also form gas hydrates with nitrogen and methane. The specific objectives of this study were to (1) add ethane and propane to gas hydrates, including mixtures with nitrogen, methane, and carbon dioxide, and (2) explore the potential roles of gas hydrates on Titan. At 273 K, the Ln(gas hydrates) were 5.095 for N2, 3.217 for CH4, 2.327 for CO2, 1.288 for C2H6, and 0.281 for C3H8. At 173 K, the Ln(gas hydrates) were -4.968 for N2, -6.102 for CH4, -7.803 for CO2, -5.125 for C2H6, and -5.512 for C3H8. Apparently C2H6 and C3H8 gas hydrates change less at lower temperatures than N2, CH4, and CO2 gas hydrates. In previous papers, we added three mixed CH4-CO2, N2-CH4, and N2-CO2 binary gas hydrates. In this paper, we added ethane and propane to include new binary gas hydrate mixtures of N2-C2H6, N2-C3H8, C2H6-C3H8, CH4-C2H6, CH4-C3H8, CO2-C2H6, and CO2-C3H8. Today, there are ten binary gas hydrates in the FREZCHEM model. In the text, how to cope with more than two species is described. Simulations from 273 K to 173 K used a surface Titan pressure of 1.467 bars with a major gas of nitrogen (94.24%), a minor gas of methane (5.65%), and extremely minor gases of ethane (0.0038%), and propane (0.000343%). Eventually at 178 K, N2·6H2O formed with 0.17694 mol, CH4·6H2O formed with 0.04101 mol, C2H6·6H2O formed with 6.48e-6 mol, and C3H8·6H2O formed with 9.36e-7 mol. Based on the atmospheric conditions of Titan, the trace gases of ethane and propane led to low gas hydrate precipitations of ethane and propane with nitrogen and methane. However, the gas

  18. Effect of varying the combustion parameters on the emissions of carbon monoxide and nitrogen oxides in the exhaust gases from propane-fueled vehicles.

    PubMed

    Roberge, B

    2000-05-01

    Propane-fueled forklifts are one source of carbon monoxide (CO) contamination of workplace air. The previous study carried out by the Quebec Occupational Health and Safety Research Institute dealt with worker exposure to CO during forklift use in buildings. It recommends that exhaust gas emissions be kept below a 1 percent concentration. However, this control has not produced a significant reduction in worker exposure to CO, when factors (ventilation, type of work tasks, and management of vehicle fleet) specific to companies are taken into account. Consequently, a reduction in CO emissions below the threshold of 0.3 percent should be considered. The experience acquired with propane-fueled ice resurfacers can be used to determine the effect of combustion parameters on exhaust gas emissions. It is known that a reduction in CO emissions from ice resurfacers resulted in the appearance of nitrogen oxides (NOx) and eventually in nitrogen dioxide (NO2) poisoning. Few publications present NOx results in relation to the CO measured in the exhaust gases of propane-fueled vehicles. The objective of this study is to define the level to which CO emissions can be reduced without increasing NOx concentrations. This real-situation study quantified the CO, NO, and NOx in the exhaust gases of a fleet of propane-fueled forklifts in relation to the mixture ratio. The results show the impact of the motor speed and mixture ratio on the CO, NO, and NO2 concentrations. They confirm an increase in NOx concentrations when CO concentrations are reduced. They also show that proper maintenance of forklifts combined with optimal adjustments can reduce CO and NOx emissions. The study proposes a compromise between CO and NOx emissions by taking into account worker health and safety as well as vehicle performance. Monitoring must be done to control air quality in work areas and worker exposure to CO and NO2. A forklift preventive maintenance program and general building ventilation are the favored

  19. Comparison of two-body and three-body decomposition of ethanedial, propanal, propenal, n-butane, 1-butene, and 1,3-butadiene

    NASA Astrophysics Data System (ADS)

    Chin, Chih-Hao; Lee, Shih-Huang

    2012-01-01

    We investigated two-body (binary) and three-body (triple) dissociations of ethanedial, propanal, propenal, n-butane, 1-butene, and 1,3-butadiene on the ground potential-energy surfaces using quantum-chemical and Rice-Ramsperger-Kassel-Marcus calculations; most attention is paid on the triple dissociation mechanisms. The triple dissociation includes elimination of a hydrogen molecule from a combination of two separate terminal hydrogen atoms; meanwhile, the rest part simultaneously decomposes to two stable fragments, e.g., C2H4, C2H2, or CO. Transition structures corresponding to the concerted triple dissociation were identified using the B3LYP/6-311G(d,p) level of theory and total energies were computed using the method CCSD(T)/6-311+G(3df, 2p). The forward barrier height of triple dissociation has a trend of ethanedial < propanal < propenal < n-butane < 1-butene < 1,3-butadiene, pertaining to the reaction enthalpy. Ratios of translational energies of three separate fragments could be estimated from the transition structure of triple dissociation. The synchronous concerted dissociation of propanal, propenal, and 1-butene leading to three different types of molecular fragments by breaking nonequivalent chemical bonds is rare. The triple dissociation of propanal, n-butane, 1-butene, and 1,3-butadiene were investigated for the first time. To outline a whole picture of dissociation mechanisms, some significant two-body dissociation channels were investigated for the calculations of product branching ratios. The triple dissociation plays an important role in the three carbonyl compounds, but plays a minor or negligible role in the three hydrocarbons.

  20. The mixed diol-dithiol 2,2-bis(sulfanylmethyl)propane-1,3-diol: characterization of key intermediates on a new synthetic pathway.

    PubMed

    Simmons, Trevor R; Pickett, Christopher J; Wright, Joseph A

    2011-01-01

    A new synthetic route to 2,2-bis(sulfanylmethyl)propane-1,3-diol, (II), is described starting from the commercially available 2,2-bis(hydroxymethyl)propane-1,3-diol. The structures of two intermediates on this route are described. 5,5-Dimethenyl-2,2-dimethyl-1,3-dioxane bis(thiocyanate) (systematic name: {[5-(cyanosulfanyl)-2,2-dimethyl-1,3-dioxan-5-yl]sulfanyl}formonitrile), C(10)H(14)N(2)O(2)S(2), (X), crystallizes in the space group P2(1)/c with no symmetry relationship between the two thiocyanate groups. There is a short intramolecular N...S contact for one thiocyanate group, while the second group is positioned such that this type of interaction is not possible. 1,3-(Hydroxymethyl)propane-1,3-diyl bis(thiocyanate), C(7)H(10)N(2)O(2)S(2), (XI), also features a single short N···S contact in the solid state. Hydrogen bonding between two molecules of compound (XI) results in the formation of dimers in the crystal, which are then linked together by a second hydrogen-bond interaction between the dimers. In addition, the structures of two intermediates from an unsuccessful alternative synthesis of (II) are reported. 2,2-Bis(chloromethyl)propane-1,3-diol, C(5)H(10)Cl(2)O(2), (VI), crystallized as an inversion twin with a minor twin fraction of 0.43 (6). It forms a zigzag structure as a result of intermolecular hydrogen bonding. The structure of 9,9-dimethyl-2,4,8,10-tetraoxa-3λ(4)-thiaspiro[5.5]undecan-3-one, C(8)H(14)O(5)S, (VII), shows evidence for a weak S···O contact with a distance of 3.2529 (11) Å. PMID:21206075

  1. Characterization of the Initial Reactions during the Cometabolic Oxidation of Methyl tert-Butyl Ether by Propane-Grown Mycobacterium vaccae JOB5

    PubMed Central

    Smith, Christy A.; O'Reilly, Kirk T.; Hyman, Michael R.

    2003-01-01

    The initial reactions in the cometabolic oxidation of the gasoline oxygenate, methyl tert-butyl ether (MTBE), by Mycobacterium vaccae JOB5 have been characterized. Two products, tert-butyl formate (TBF) and tert-butyl alcohol (TBA), rapidly accumulated extracellularly when propane-grown cells were incubated with MTBE. Lower rates of TBF and TBA production from MTBE were also observed with cells grown on 1- or 2-propanol, while neither product was generated from MTBE by cells grown on casein-yeast extract-dextrose broth. Kinetic studies with propane-grown cells demonstrated that TBF is the dominant (≥80%) initial product of MTBE oxidation and that TBA accumulates from further biotic and abiotic hydrolysis of TBF. Our results suggest that the biotic hydrolysis of TBF is catalyzed by a heat-stable esterase with activity toward several other tert-butyl esters. Propane-grown cells also oxidized TBA, but no further oxidation products were detected. Like the oxidation of MTBE, TBA oxidation was fully inhibited by acetylene, an inactivator of short-chain alkane monooxygenase in M. vaccae JOB5. Oxidation of both MTBE and TBA was also inhibited by propane (Ki = 3.3 to 4.4 μM). Values for Ks of 1.36 and 1.18 mM and for Vmax of 24.4 and 10.4 nmol min−1 mg of protein−1 were derived for MTBE and TBA, respectively. We conclude that the initial steps in the pathway of MTBE oxidation by M. vaccae JOB5 involve two reactions catalyzed by the same monooxygenase (MTBE and TBA oxidation) that are temporally separated by an esterase-catalyzed hydrolysis of TBF to TBA. These results that suggest the initial reactions in MTBE oxidation by M. vaccae JOB5 are the same as those that we have previously characterized in gaseous alkane-utilizing fungi. PMID:12570997

  2. Platinum-Promoted Ga/Al2O3 as Highly Active, Selective, and Stable Catalyst for the Dehydrogenation of Propane**

    PubMed Central

    Sattler, Jesper J H B; Gonzalez-Jimenez, Ines D; Luo, Lin; Stears, Brien A; Malek, Andrzej; Barton, David G; Kilos, Beata A; Kaminsky, Mark P; Verhoeven, Tiny W G M; Koers, Eline J; Baldus, Marc; Weckhuysen, Bert M

    2014-01-01

    A novel catalyst material for the selective dehydrogenation of propane is presented. The catalyst consists of 1000 ppm Pt, 3 wt % Ga, and 0.25 wt % K supported on alumina. We observed a synergy between Ga and Pt, resulting in a highly active and stable catalyst. Additionally, we propose a bifunctional active phase, in which coordinately unsaturated Ga3+ species are the active species and where Pt functions as a promoter. PMID:24989975

  3. Volumetric Properties of the Mixture Propan-2-one C3H6O + C14H30 Tetradecane (VMSD1141, LB3345_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume B 'Binary Liquid Systems of Nonelectrolytes II' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Propan-2-one C3H6O + C14H30 Tetradecane (VMSD1141, LB3345_V)' providing data from direct measurement of mass density at variable pressure and constant temperature and mole fraction.

  4. Hydrocarbon-NO{sub x} interactions at low temperatures. 1: Conversion of NO to NO{sub 2} promoted by propane and the formation of HNCO

    SciTech Connect

    Nelson, P.F.; Haynes, B.S.

    1994-12-31

    Reactant conversions and product distributions for reactions between NO (0--350 ppm), propane (425--1,000 ppm), and O{sub 2} (2.3--16%) in a laminar flow reactor at temperatures in the range 500 C--800 C have been determined by long-path-length Fourier transform infrared (FTIR) spectroscopy. Addition of NO significantly decreases the temperature at which oxidation of propane commences, but the formation of intermediate products (the olefins, ethylene and propylene, and formaldehyde) occurs over a wider temperature range than does the formation of these products in the absence of added NO. Oxidation of the propane coincides with NO to NO{sub 2} conversion, although significant NO to NO{sub 2} conversion occurs before substantial oxidation of the hydrocarbon. The NO to NO{sub 2} conversion occurs in stages and increases when the intermediate carbon-containing products begin themselves to oxidize. For experiments in the presence of added NO, CH{sub 4} is not observed as a product, implying that steady-state concentrations of CH{sub 3} radicals are low; rapid conversion of CH{sub 3} to CH{sub 3}O{sub 2} followed by reaction of CH{sub 3}O{sub 2} with NO is a probable reason for this observation. At high NO and propane concentrations (350 and 1000 ppm, respectively), HNCO was detected as a product of these reactions. Formation of HNCO coincides with NO to NO{sub 2} conversion. These observations provide evidence for hydrocarbon-NO interactions that result in the formation of species containing C{single_bond}N bonds occurring at lower temperatures than previously reported.

  5. catena-Poly[1-butyl-3-methyl­imidazolium [[dichlorido(methanol-κO)(propan-2-ol-κO)lanthanate(III)]-di-μ-chlorido

    PubMed Central

    Han, Yulun; Dai, Fengrong; Sykes, Andrew G.; May, P. Stanley; Berry, Mary T.; Meng, Qingguo; Lin, Cuikun

    2012-01-01

    The title compound, (C8H15N2)[LaCl4(CH3OH)(C3H7OH)], consists of one 1-butyl-3-methyl­imidazolium (BMI+) cation and one hexa­hedral tetra­chlorido(methanol)(propan-2-ol)lanthanate anion. The LaIII ion is eight-coordinate, with the LaIII ion bridged by a pair of Cl atoms, so forming chains propagating along the a-axis direction. Each LaIII ion is further coordinated by two isolated Cl atoms, one methanol and one propan-2-ol mol­ecule. The coordinated methanol and propan-2-ol mol­ecules of the anion form O—H⋯Cl hydrogen bonds with the Cl atoms of inversion-related anions. The BMI+ cation froms C—H⋯Cl hydrogen bonds with the Cl atoms of the anion. The anions are located in the C faces of the triclinic unit cell, with an inversion center in the middle of the La2Cl2 ring of the polymeric chain. PMID:22412437

  6. Analysis of solvation structure and thermodynamics of ethane and propane in water by reference interaction site model theory using all-atom models

    NASA Astrophysics Data System (ADS)

    Cui, Qizhi; Smith, Vedene H.

    2001-08-01

    Following our previous paper on methane [Cui and Smith, J. Chem. Phys. 113, 10240 (2000)], we study the solvation structures and thermodynamics of ethane and propane in water at the infinite dilution limit by using the hypernetted chain closure reference interaction site model (HNC-RISM) theory with all-atom representations for solute molecules. At four thermodynamic states: temperature T=283.15, 298.15, 313.15, 328.15 K and the corresponding bulk water density ρ=0.9997, 0.9970, 0.9922, 0.9875 g cm-3, all the atomic solute-solvent radial distribution functions are obtained, and the corresponding running coordination numbers and the hydration free energies, energies, enthalpies, and entropies are calculated with the radial distribution functions as input. The hydration structures of ethane and propane are presented and analyzed at the atomic level in terms of the atomic solute-solvent radial distribution functions. With the optimized nonbonded potential parameters based on the CHARMM96 all-atom model for alkanes [Yin and Mackerell, J. Comput. Chem. 19, 334 (1998)], the ethane and propane hydration thermodynamic properties predicted by the HNC-RISM theory are improved in the specified temperature range (10-55 °C).

  7. Cooling rate and ice-crystal measurement in biological specimens plunged into liquid ethane, propane, and Freon 22.

    PubMed

    Ryan, K P; Bald, W B; Neumann, K; Simonsberger, P; Purse, D H; Nicholson, D N

    1990-06-01

    Specimens sandwiched between copper planchettes were plunged up to a depth of 430 mm into coolants used for cryofixation. Hydrated gelatin containing a miniature thermocouple was used to mimic the behaviour of tissue during freezing. Gelatin and red blood cells were used for ice-crystal analysis. Ethane produced the fastest cooling rates and the smallest ice-crystal profiles, and Freon 22 produced the slowest cooling rates and the largest crystal profiles. Smaller crystal profiles were often seen in the centre of the specimens than in subsurface zones. The results show that ethane, rather than propane, should be used for freezing metal-sandwiched freeze-fracture specimens by the plunging method, and probably also in the jet-cooling method. They further suggest that good cryofixation could occur at the centre of thin specimens rather than only at their surfaces. Comparison between theoretical and experimental ice-crystal sizes was satisfactory, indicating that where the experimental parameters can be defined then realistic predictions can be made regarding cryofixation results.

  8. Laboratory studies, analysis, and interpretation of the spectra of hydrocarbons present in planetary atmospheres including cyanoacetylene, acetylene, propane, and ethane

    NASA Technical Reports Server (NTRS)

    Blass, William E.; Daunt, Stephen J.; Peters, Antoni V.; Weber, Mark C.

    1990-01-01

    Combining broadband Fourier transform spectrometers (FTS) from the McMath facility at NSO and from NRC in Ottawa and narrow band TDL data from the laboratories with computational physics techniques has produced a broad range of results for the study of planetary atmospheres. Motivation for the effort flows from the Voyager/IRIS observations and the needs of Voyager analysis for laboratory results. In addition, anticipation of the Cassini mission adds incentive to pursue studies of observed and potentially observable constituents of planetary atmospheres. Current studies include cyanoacetylene, acetylene, propane, and ethane. Particular attention is devoted to cyanoacetylen (H3CN) which is observed in the atmosphere of Titan. The results of a high resolution infrared laboratory study of the line positions of the 663, 449, and 22.5/cm fundamental bands are presented. Line position, reproducible to better than 5 MHz for the first two bands, are available for infrared astrophysical searches. Intensity and broadening studies are in progress. Acetylene is a nearly ubiquitous atmospheric constituent of the outer planets and Titan due to the nature of methane photochemistry. Results of ambient temperature absolute intensity measurements are presented for the fundamental and two two-quantum hotband in the 730/cm region. Low temperature hotband intensity and linewidth measurements are planned.

  9. Effect of heat recirculation on the self-sustained catalytic combustion of propane/air mixtures in a quartz reactor

    SciTech Connect

    Scarpa, A.; Pirone, R.; Russo, G.; Vlachos, D.G.

    2009-05-15

    The self-sustained catalytic combustion of propane is experimentally studied in a two-pass, quartz heat-recirculation reactor (HRR) and compared to that in a no (heat) recirculation reactor (NRR). Structured monolithic reactors with Pt/{gamma}-Al{sub 2}O{sub 3}, LaMnO{sub 3}/{gamma}-Al{sub 2}O{sub 3}, and Pt doped perovskite catalysts have been compared in the HRR and NRR configurations. Heat recirculation enhances combustion stability, by widening the operating window of self-sustained operation, and changes the mode of stability loss from blowout to extinction. It is found that thermal shields (upstream and downstream of the monolith) play no role in the stability of a HRR but increase the stability of a NRR. The stability of a HRR follows this trend: Pt/{gamma}-Al{sub 2}O{sub 3} > doped perovskite > LaMnO{sub 3}/{gamma}-Al{sub 2}O{sub 3}. Finally, a higher cell density monolith enlarges the operating window of self-sustained combustion, and allows further increase of the power density of the process. (author)

  10. 1-[2-(2-Methoxyphenylamino)ethylamino]-3-(naphthalene-1-yloxy)propan-2-ol as a potential anticancer drug.

    PubMed

    Kanno, Takeshi; Tanaka, Akito; Shimizu, Tadashi; Nakano, Takashi; Nishizaki, Tomoyuki

    2013-01-01

    The aim of the present study was to assess the anticancer effect of several naftopidil analogues on human malignant mesothelioma cell lines NCI-H28, NCI-H2052, NCI-H2452, and MSTO-211H, human lung cancer cell lines A549, SBC-3, and Lu-65, human hepatoma cell lines HepG2 and HuH-7, human gastric cancer cell lines MKN-28 and MKN-45, and human bladder cancer cell lines 253J, 5637, KK-47, TCCSUP, T24, and UM-UC-3, human prostate cancer cell lines DU145, LNCap, and PC-3, and human renal cancer cell lines ACHN, RCC4-VHL, and 786-O. We newly synthesized 21 naftopidil analogues, and of them 1-[2-(2-methoxyphenylamino)ethylamino]-3-(naphthalene-1-yloxy)propan-2-ol (HUHS1015) most efficiently reduced cell viability for all the investigated malignant mesothelioma cell lines in a concentration (1-100 μmol/l)-dependent manner. HUHS1015 reduced cell viability for all other investigated cancer cell lines, to an extent similar to that for malignant mesothelioma cell lines. HUHS1015 activated caspase-3 and -4, without activating caspase-8 and -9, in malignant mesothelioma cell lines. The results of the present study, thus, indicate that HUHS1015 induces apoptosis in a variety of cancer cells, possibly by activating caspase-4 and the effector caspase-3.

  11. Reversal of global atmospheric ethane and propane trends largely due to US oil and natural gas production

    NASA Astrophysics Data System (ADS)

    Helmig, Detlev; Rossabi, Samuel; Hueber, Jacques; Tans, Pieter; Montzka, Stephen A.; Masarie, Ken; Thoning, Kirk; Plass-Duelmer, Christian; Claude, Anja; Carpenter, Lucy J.; Lewis, Alastair C.; Punjabi, Shalini; Reimann, Stefan; Vollmer, Martin K.; Steinbrecher, Rainer; Hannigan, James W.; Emmons, Louisa K.; Mahieu, Emmanuel; Franco, Bruno; Smale, Dan; Pozzer, Andrea

    2016-07-01

    Non-methane hydrocarbons such as ethane are important precursors to tropospheric ozone and aerosols. Using data from a global surface network and atmospheric column observations we show that the steady decline in the ethane mole fraction that began in the 1970s halted between 2005 and 2010 in most of the Northern Hemisphere and has since reversed. We calculate a yearly increase in ethane emissions in the Northern Hemisphere of 0.42 (+/-0.19) Tg yr-1 between mid-2009 and mid-2014. The largest increases in ethane and the shorter-lived propane are seen over the central and eastern USA, with a spatial distribution that suggests North American oil and natural gas development as the primary source of increasing emissions. By including other co-emitted oil and natural gas non-methane hydrocarbons, we estimate a Northern Hemisphere total non-methane hydrocarbon yearly emission increase of 1.2 (+/-0.8) Tg yr-1. Atmospheric chemical transport modelling suggests that these emissions could augment summertime mean surface ozone by several nanomoles per mole near oil and natural gas production regions. Methane/ethane oil and natural gas emission ratios could suggest a significant increase in associated methane emissions; however, this increase is inconsistent with observed leak rates in production regions and changes in methane's global isotopic ratio.

  12. Supramolecular structural, thermal properties and biological activity of 3-(2-methoxyphenoxy)propane-1,2-diol metal complexes

    NASA Astrophysics Data System (ADS)

    Mahmoud, Walaa H.; Mahmoud, Nessma F.; Mohamed, Gehad G.; El-Bindary, Ashraf A.; El-Sonbati, Adel Z.

    2015-04-01

    New bi- and trivalent transition metal complexes of ligand 3-(2-methoxyphenoxy)propane-1,2-diol (GFS) were synthesized. The ligand and complexes were characterized via: melting point, UV/Visible, IR, 1H NMR, mass and diffused reflectance spectroscopy. The molecular structure of the investigated ligand (GFS) is optimized theoretically and the quantum chemical parameters are calculated. In addition, the complexes were characterized based on conductivity measurement, thermal analysis and biological activity. The infrared spectral study of GFS and its complexes, act as monobasic tridentate through the oxygen atom of hydroxyl group and two etheric oxygen atoms. Also, coordination to the unprotonated oxygen is evidenced from the disappearance of the OH signal in the 1H NMR spectra after complexation. The thermogravimetric analysis of the complexes shows metal oxide remaining as the final product. The compounds were tested against four bacterial species; two Gram positive bacteria (Bacillus subtilis and Staphylococcus aureus) and two Gram negative bacteria (Escherichia coli and Pseudomonas aeruginosa) as well as antifungal activity against (Candida albicans). The complexes showed significant activities against Gram positive bacteria than Gram negative bacteria. [Cd(GFS)Cl(H2O)2] complex showed remarkable antifungal activity. However, some complexes showed more chemotherapeutic efficiency than the parent GFS drug. The drug and complexes were also screened for their in vitro anticancer activity against the Breast cell line (MFC7) and the results obtained show that they exhibit a considerable anticancer activity.

  13. Research on the nanocrystal FeVxOy catalysts for new reaction from propane to propylene and CO

    NASA Astrophysics Data System (ADS)

    Li, Yanhua; Chen, Shu; Xu, Aixin; Ma, Fei; Chen, Fang; Lu, Weimin

    2014-11-01

    The FeVxOy catalysts, used for selective oxidation of propane to propylene and CO, were prepared via sol-gel method using F-127 as chelating agent. And the catalyst with V/Fe (molar ratio) = 0.1 showed quite good selectivity of propylene and CO and the sum of them can be more than 90%. The catalysts were characterized by X-ray diffraction, X-ray photoelectron spectroscopy, Raman, H2-TPR and NH3-TPD. The relationship between the structure and catalytic properties was also preliminarily discussed. The results indicated that chemical interaction took place between the vanadium and iron, which could be referred to Vsbnd Osbnd Fe bonds and the formation of Fe(VO4). Meanwhile, with the increase of vanadium content, the distribution of all the elements proportion and valence state on the surface of the catalysts as well as the acid amount and acid sites changed immensely. All of these affected the catalytic performance and improve the selectivity of CO and inhibit that of CO2.

  14. Ultra-dispersed Pt nanoparticles on SAPO-34/γ-Al2O3 support for efficient propane dehydrogenation.

    PubMed

    Chu, Yue; Zhang, Qiang; Wu, Tongwei; Nawaz, Zeeshan; Wang, Yao; Wei, Fei

    2014-09-01

    Ultra-dispersed precious metal nanoparticles with good thermal stability are highly required for heterogeneous catalysis. However, the efficient and effective strategy to disperse ultra-fine precious metal nanoparticles at high reaction temperature is still not fully understood yet. In this contribution, a family of catalysts with ultra-small Pt nanoparticles were prepared using impregnation method by adjusting the zeolite content in the SAPO-34 and γ-Al2O3 mixed support. The effect of Pt nanoparticle size on the catalytic activity, selectivity, and stability was investigated in the propane dehydrogenation reaction. Catalyst with smaller Pt particles exhibits better catalytic performance. Both the highest Pt dispersion and the best catalytic activity can be achieved by using SAPO-34 and γ-Al2O3 mixed support with 70 wt.% of SAPO-34. The size and structure of the Pt nanoparticles on the optimal catalyst were characterized by transmission electron microscopy. Pt nanoparticles with an average size of 1.32 nm were observed. There were stronger metal-support interactions between the oxidized tin species and Pt particles on SAPO-34 support compared to that on γ-Al2O3 catalyst. These lead to high Pt dispersion and consequently good catalytic performance. PMID:25924347

  15. Promotion of Ag/H-BEA by Mn for lean NO reduction with propane at low temperature.

    PubMed

    Pan, Hua; Su, Qingfa; Chen, Jie; Ye, Qing; Liu, Yiting; Shi, Yao

    2009-12-15

    Effects of adding manganese to Ag/H-BEA for selective catalytic reduction of NO(x) with propane (C(3)H(8)-SCR) were investigated under a lean-burn condition. Mn addition significantly promotes the catalytic performance of Ag/H-BEA below 673 K. A Ag-Mn/H-BEA catalyst with equal metal weight of 3 wt % has the highest activity for C(3)H(8)-SCR among samples with a different bimetal loading. Manganese is mainly present in the 3+ and 4+ oxidation states in Ag-Mn/H-BEA catalysts. The major contributions of manganese suggested by the data presented in this paper are to catalyze the NO oxidation and stabilize silver in a dispersed Ag(+) state. The presence of silver enforces the transformation of a certain amount of Mn(3+) ions to Mn(4+) ions. The activity of Ag-Mn/H-BEA decreases slightly at low SO(2) concentrations (0-200 ppm) but decreases significantly at high SO(2) concentrations (400-800 ppm). In the presence of 10% H(2)O and 200 ppm SO(2), the inhibition of C(3)H(8)-SCR below 673 K is more significant than that at high temperature above 673 K. Ag-Mn/H-BEA is a promising catalyst for the removal of NO(x) from diesel engine exhaust.

  16. Dynamic light scattering in sooting premixed atmospheric-pressure methane-, propane-, ethene-, and propene-oxygen flames

    SciTech Connect

    Lamprecht, A.; Eimer, W.; Kohse-Hoeinghaus, K.

    1999-07-01

    In a systematic investigation under well-defined flame conditions, dynamic light scattering (DLS) was applied to the determination of soot particle radii with the aim of examining the suitability of this technique for accurate soot particle sizing. In particular, flat premixed methane-, propane-, ethene-, and propene-oxygen flames at atmospheric pressure were investigated, and particle sizes were obtained as a function of stoichiometry and height above the burner surface. In combination with absorption measurements, soot volume fraction and particle number density were determined; also, the temperature was measured at each flame condition. In comparison to absorption techniques, attractive features of DLS are its independence of the particle refractive index and its insensitivity to fluorescence interference; also, it offers spatial resolution. In principle, additional information on the particle size distribution as well as on the global shape of the particles may be obtained from DLS experiments. This study is therefore an evaluation of the potential of DLS as a complement to other soot diagnostic techniques.

  17. Synthesis of Pt–Pd Core–Shell Nanostructures by Atomic Layer Deposition: Application in Propane Oxidative Dehydrogenation to Propylene

    SciTech Connect

    Lei, Yu; Liu, Bin; Lu, Junling; Lobo-Lapidus, Rodrigo J.; Wu, Tianpin; Feng, Hao; Xia, Xiaoxing; Mane, Anil U.; Libera, Joseph A.; Greeley, Jeffrey P.; Miller, Jeffrey T.; Elam, Jeffrey W.

    2012-08-20

    Atomic layer deposition (ALD) was employed to synthesize supported Pt–Pd bimetallic particles in the 1 to 2 nm range. The metal loading and composition of the supported Pt–Pd nanoparticles were controlled by varying the deposition temperature and by applying ALD metal oxide coatings to modify the support surface chemistry. High-resolution scanning transmission electron microscopy images showed monodispersed Pt–Pd nanoparticles on ALD Al2O3- and TiO2-modified SiO2 gel. X-ray absorption spectroscopy revealed that the bimetallic nanoparticles have a stable Pt-core, Pd-shell nanostructure. Density functional theory calculations revealed that the most stable surface configuration for the Pt–Pd alloys in an H2 environment has a Pt-core, Pd-shell nanostructure. Finally, in comparison to their monometallic counterparts, the small Pt–Pd bimetallic core–shell nanoparticles exhibited higher activity in propane oxidative dehydrogenation as compared to their physical mixture.

  18. Propane dehydrogenation over Pt-Cu bimetallic catalysts: the nature of coke deposition and the role of copper

    NASA Astrophysics Data System (ADS)

    Han, Zhiping; Li, Shuirong; Jiang, Feng; Wang, Tuo; Ma, Xinbin; Gong, Jinlong

    2014-08-01

    This paper describes an investigation of the promotional effect of Cu on the catalytic performance of Pt/Al2O3 catalysts for propane dehydrogenation. We have shown that Pt/Al2O3 catalysts possess higher propylene selectivity and lower deactivation rate as well as enhanced anti-coking ability upon Cu addition. The optimized loading content of Cu is 0.5 wt%, which increases the propylene selectivity to 90.8% with a propylene yield of 36.5%. The origin of the enhanced catalytic performance and anti-coking ability of the Pt-Cu/Al2O3 catalyst is ascribed to the intimate interaction between Pt and Cu, which is confirmed by the change of particle morphology and atomic electronic environment of the catalyst. The Pt-Cu interaction inhibits propylene adsorption and elevates the energy barrier of C-C bond rupture. The inhibited propylene adsorption diminishes the possibility of coke formation and suppresses the cracking reaction towards the formation of lighter hydrocarbons on Pt-Cu/Al2O3, while a higher energy barrier for C-C bond cleavage suppresses the methane formation.

  19. Molecular Docking Study of Catecholamines and [4-(Propan-2-yl) Phenyl]Carbamic acid with Tyrosine Hydroxylase

    PubMed Central

    Parveen, Zahida; Nawaz, Muhammad Sulaman; Shakil, Shazi; Greig, Nigel H.; Kamal, Mohammad A.

    2016-01-01

    Parkinson’s disease is a major age-related neurodegenerative disorder. As the classical disease-related motor symptoms are associated with the loss of dopamine-generating cells within the substantia nigra, tyrosine hydroxylase (TH), the rate-limiting enzyme in the synthesis of catecholamines has become an important target in the development of Parkinson’s disease drug candidates, with the focus to augment TH levels or its activity. By contrast, TH inhibitors are of relevance in the treatment of conditions associated with catecholamine over-production, as occurs in pheochromocytomas. To aid characterizing new drug candidates, a molecular docking study of catecholamines and a novel hypothetical compound [4-(propan-2-yl) phenyl]carbamic acid (PPCA) with TH is described. Docking was performed using Autodock4.2 and results were analyzed using Chimera1.5.2. All the studied ligands were found to bind within a deep narrow groove lined with polar aromatic and acidic residues within TH. Our results corroborated a ‘hexa interacting amino acids unit’ located in this deep narrow groove crucial to the interaction of PPCA and the studied catecholamines with TH, whereby the ‘His361-His336 dyad’ was found to be even more crucial to these binding interactions. PPCA displayed a binding interaction with human TH that was comparable to the original TH substrate, L-tyrosine. Hence PPCA may warrant in vitro and in vivo characterization with TH to assess its potential as a candidate therapeutic. PMID:22583429

  20. New Antimony Lanthanide Disulfide Dibromides LnSbS

    SciTech Connect

    Gout, D.; Jobic, S.; Evain, M.; Brec, R.

    2001-05-01

    CeSbS{sub 2}Br{sub 2} (I), Ce{sub 1/2}La{sub 1/2}SbS{sub 2}Br{sub 2} (II), and LaSbS{sub 2}Br{sub 2} (III) have been synthesized at 700 C from a mixture of LnBr{sub 3}, Ln{sub 2}S{sub 3}, Sb, and S and characterized by single-crystal X-ray diffraction. The three phases are isostructural (space group P2{sub 1}/c, Z=4) and crystallize in a novel, dense, bidimensional structure with cell parameters a=8.709(3) {angstrom}, b=9.187(2) {angstrom}, c=17.397(5) {angstrom} {beta}=104.26(3) for I, a=8.739(7) {angstrom}, b=9.219(7) {angstrom}, c=17.41(2) {angstrom}, =104.3(1) for II, and a=8.785(1) {angstrom}, b=9.236(2) {angstrom}, c=17.372(3) {angstrom}, {beta}=104.09(2) for III. In these compounds, [Ln S{sub 5}Br{sub 4}] and [Ln S{sub 3}Br{sub 6}] (Ln=Ce, La) distorted tricapped trigonal prisms define infinite {sub {infinity}}{sup 2}[LnS{sub 2}Br{sub 2}] layers counterbalanced and capped by antimony cations. In good accordance with the structural features, the charge balance in these materials is to be written Ln{sup III}Sb{sup III}S{sup -II}{sub 2}Br{sup -I}{sub 2}. These compounds exhibit a yellow hue with a measured absorption threshold of 2.42(1), 2.55(1), and 2.72(1) eV for I, II, and III, respectively. In the two cerium containing bromothioantimonates I and II, the origin of the color is assigned to a Ce-4f{yields}Ce-5d electronic transition, which shifts to higher energy from I to II due either to a matrix effect (increase of the mean Ln-S distances under the substitution of Ce for La) or to an atomic ordering between Ce and La cations on the Ln(1) and Ln(2) crystallographic sites. In contrast, the electronic transition at play in III involves a charge transfer from the bromine and sulfur ions to the antimony ions, the latter contributing substantially to the lowermost levels of the conduction band.

  1. Mobilization of mercury and arsenic in humans by sodium 2,3-dimercapto-1-propane sulfonate (DMPS).

    PubMed Central

    Aposhian, H V

    1998-01-01

    Sodium 2,3-dimercapto-1-propane sulfonate (DMPS, Dimaval) is a water-soluble chelating agent that can be given by mouth or systemically and has been used to treat metal intoxication since the 1960s in the former Soviet Union and since 1978 in Germany. To better approximate the body burdens of Hg and As in humans, DMPS-Hg andDMPS-As challenge tests have been developed. The tests involve collecting an overnight urine, administering 300 mg DMPS at zero time, collecting the urine from 0 to 6 hr, and determining the urinary Hg before and after DMPS is given. The challenge test, when applied to normal college student volunteers with and without amalgam restorations in their mouths, indicated that two-thirds of the Hg excreted in the urine after DMPS administration originated in their dental amalgams. In addition, there was a positive linear correlation between the amalgam score (a measure of amalgam surface) and urinary Hg after the challenge test. When the DMPS-Hg challenge test was used to study dental personnel occupationally exposed to Hg, the urinary excretion of Hg was 88, 49, and 35 times greater after DMPS administration than before administration in 10 dental technicians, 5 dentists, and 13 nondental personnel, respectively. DMPS also was used to measure the body burden of humans with a history of drinking water containing 600 microgram As/liter. DMPS administration resulted in a tripling of the monomethylarsonic acid percentage and a halving of the dimethylarsinic acid percentage as related to total urinary As. Because South American animals studied were deficient in arsenite methyltransferase, a hypothesis is presented that arsenite and arsenite methyltransferase may have had a role in the evolution of some South American animals. Images Figure 1 Figure 3 Figure 4 Figure 6 Figure 7 Figure 8 Figure 9 PMID:9703487

  2. A novel PPARα agonist propane-2-sulfonic acid octadec-9-enyl-amide inhibits inflammation in THP-1 cells.

    PubMed

    Zhao, Yun; Yan, Lu; Luo, Xiu-Mei; Peng, Lu; Guo, Han; Jing, Zuo; Yang, Li-Chao; Hu, Rong; Wang, Xuan; Huang, Xue-Feng; Wang, Yi-Qing; Jin, Xin

    2016-10-01

    Our group synthesized propane-2-sulfonic acid octadec-9-enyl-amide (N15), a novel peroxisome proliferator activated receptor alpha (PPARα) agonist. Because PPARα activation is associated with inflammation control, we hypothesize that N15 may have anti-inflammatory effects. We investigated the effect of N15 on the regulation of inflammation in THP-1 cells stimulated with lipopolysaccharide (LPS). In particular, we assessed the production of chemokines, adhesion molecules and proinflammatory cytokines, three important types of cytokines that are released from monocytes and are involved in the development of atherosclerosis. The results showed that N15 remarkably reduced the mRNA expression of chemokines, such as monocyte chemotactic protein 1 (MCP-1 or CCL2), interleukin-8 (IL-8) and interferon-inducible protein-10 (IP-10 or CXCL10), and proinflammatory cytokines, such as tumor necrosis factor-α (TNF-α), interleukin-1β (IL-1β) and interleukin-6 (IL-6). N15 also decreased the protein expression of vascular cell adhesion molecule (VCAM) and matrix metalloproteinase (MMP) 2 and 9. The reduction in the expression of cytokine mRNAs observed following N15 treatment was abrogated in THP-1 cells treated with PPARα siRNA, indicating that the anti-inflammatory effects of N15 are dependent on PPARα activation. Toll-like receptor 4 (TLR4)/nuclear factor-κB (NF-κB) and signal transducer and activator of transcription 3 (STAT3) inhibition, which are dependent on PPARα activation, were also involved in the mechanism underlying the anti-inflammatory effects of N15. In conclusion, the novel PPARα agonist, N15, exerts notable anti-inflammatory effects, which are mediated via PPARα activation and TLR4/NF-κB and STAT3 inhibition, in LPS-stimulated THP-1 cells. In our study, N15 exhibits promise for the treatment of atherosclerosis.

  3. A novel PPARα agonist propane-2-sulfonic acid octadec-9-enyl-amide inhibits inflammation in THP-1 cells.

    PubMed

    Zhao, Yun; Yan, Lu; Luo, Xiu-Mei; Peng, Lu; Guo, Han; Jing, Zuo; Yang, Li-Chao; Hu, Rong; Wang, Xuan; Huang, Xue-Feng; Wang, Yi-Qing; Jin, Xin

    2016-10-01

    Our group synthesized propane-2-sulfonic acid octadec-9-enyl-amide (N15), a novel peroxisome proliferator activated receptor alpha (PPARα) agonist. Because PPARα activation is associated with inflammation control, we hypothesize that N15 may have anti-inflammatory effects. We investigated the effect of N15 on the regulation of inflammation in THP-1 cells stimulated with lipopolysaccharide (LPS). In particular, we assessed the production of chemokines, adhesion molecules and proinflammatory cytokines, three important types of cytokines that are released from monocytes and are involved in the development of atherosclerosis. The results showed that N15 remarkably reduced the mRNA expression of chemokines, such as monocyte chemotactic protein 1 (MCP-1 or CCL2), interleukin-8 (IL-8) and interferon-inducible protein-10 (IP-10 or CXCL10), and proinflammatory cytokines, such as tumor necrosis factor-α (TNF-α), interleukin-1β (IL-1β) and interleukin-6 (IL-6). N15 also decreased the protein expression of vascular cell adhesion molecule (VCAM) and matrix metalloproteinase (MMP) 2 and 9. The reduction in the expression of cytokine mRNAs observed following N15 treatment was abrogated in THP-1 cells treated with PPARα siRNA, indicating that the anti-inflammatory effects of N15 are dependent on PPARα activation. Toll-like receptor 4 (TLR4)/nuclear factor-κB (NF-κB) and signal transducer and activator of transcription 3 (STAT3) inhibition, which are dependent on PPARα activation, were also involved in the mechanism underlying the anti-inflammatory effects of N15. In conclusion, the novel PPARα agonist, N15, exerts notable anti-inflammatory effects, which are mediated via PPARα activation and TLR4/NF-κB and STAT3 inhibition, in LPS-stimulated THP-1 cells. In our study, N15 exhibits promise for the treatment of atherosclerosis. PMID:27318324

  4. Insights on co-catalyst-promoted enamine formation between dimethylamine and propanal through ab initio and density functional theory study.

    PubMed

    Patil, Mahendra P; Sunoj, Raghavan B

    2007-10-26

    The mechanistic details on enamine formation between dimethylamine and propanal are unraveled using the ab initio and density functional theory methods. The addition of secondary amine to the electrophile and simultaneous proton transfer results in a carbinolamine intermediate, which subsequently undergoes dehydration to form enamine. The direct addition of amine as well as the dehydration of the resulting carbinolamine intermediate is predicted to possess fairly high activation barrier implying that a unimolecular process is unlikely to be responsible for enamine formation. Different models are therefore proposed which could explain the relative ease of enamine formation under neat condition as well as under the influence of methanol as the co-catalyst. The explicit inclusion of either the reagent or the co-catalyst is considered in the transition states as stabilizing agents. The participation of the reagent or the co-catalyst as a monofunctional ancillary species is found to stabilize the transition states relative to the unassisted or the direct addition/dehydration pathways. The reduction in enthalpy of activation is found to be much more dramatic when two co-catalysts participate in an active bifunctional mode in the rate-determining dehydration step. The transition structures exhibited characteristic features of a relay proton transfer mechanism. The free energy of activation associated with the two methanol-assisted pathway is found to be 16.7 kcal/mol lower than that of the unassisted pathway. The results are found to be in concurrence with the available reports on the rate acceleration by co-catalysts in the Michael reaction between enamine and methyl vinyl ketone under neat conditions.

  5. 1,3-Propane sultone as an extremely potent human carcinogen: description of an exposed cohort in Germany.

    PubMed

    Bolt, Hermann M; Golka, Klaus

    2012-01-01

    1,3-Propane sultone (1,3-PS) is a directly alkylating, genotoxic and carcinogenic substance. In rats, 1,3-PS induces local and systemic tumors at multiple sites, including the mammary gland, intestine, hematopoietic system, kidneys, and the central nervous system (CNS), especially in the form of gliomas. In one particular company, 1,3-PS had been manufactured in limited amounts in the 1950s and 1960s, and for a few purposes until the 1970s. The number of individuals having been in contact with the compound occupationally comprised 55 in total. Data were obtained from this group with an open question of legal compensation regarding an occupational disease. Particular emphasis was placed on malignancies occurring among the occupationally exposed persons. As cerebral gliomas are a major type of tumor induced by 1,3-PS experimentally, the occurrence of two glioblastomas among the previously exposed persons was significant. Three intestinal malignancies were recorded within the cases observed. It is also noteworthy that there was one case of a duodenal carcinoma, which is normally a rare human malignancy. Two hematopoietic/lymphatic malignancies were observed, and there was one case of a renal cell carcinoma. The types of malignancies within a group of only 55 exposed persons are surprisingly consistent with the results from rodent studies. Data clearly indicate that 1,3-PS is carcinogenic in humans. Evidence indicates that 12 cases with various neoplasms were legally compensated within the period of 1985-2010 as an occupational disease, based on the "opening clause" of § 9 (2) SGB VII of legislation in Germany.

  6. Adsorption of acrolein, propanal, and allyl alcohol on Pd(111): a combined infrared reflection–absorption spectroscopy and temperature programmed desorption study

    PubMed Central

    Dostert, Karl-Heinz; O'Brien, Casey P.; Mirabella, Francesca; Ivars-Barceló, Francisco

    2016-01-01

    Atomistic-level understanding of the interaction of α,β-unsaturated aldehydes and their derivatives with late transition metals is of fundamental importance for the rational design of new catalytic materials with the desired selectivity towards C 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 C vs. CO bond partial hydrogenation. In this study, we investigate the interaction of acrolein, and its partial hydrogenation products propanal and allyl alcohol, with Pd(111) as a prototypical system. A combination of infrared reflection–absorption spectroscopy (IRAS) and temperature programmed desorption (TPD) experiments was applied under well-defined ultrahigh vacuum (UHV) conditions to obtain detailed information on the adsorption geometries of acrolein, propanal, and allyl alcohol as a function of coverage. We compare the IR spectra obtained for

  7. Fabric protectors. Part II - Propane, 1,1,1-trichloroethane, and petroleum distillates levels in air after application of fabric protectors.

    PubMed

    Otson, R; Williams, D T; Bothwell, P D

    1984-01-01

    Propane, 1,1,1-trichloroethane, and petroleum distillates levels in air which were generated during the use of aerosol type fabric protectors were monitored by means of the NIOSH charcoal tube, a glass bulb grab sampling, and the GASBADGE passive device techniques. Although 1982 ACGIH TLV-STEL were readily exceeded in an unventilated test room, when fabric was sprayed with 450 g of fabric protector in an unconfined area within a home the generated vapors quickly dispersed and STEL and 8-hour TWA-TLV were not exceeded.

  8. (1RS,2RS,3RS)-1,2-Dimeth­oxy-3-methyl-2-phenyl-1-(2-thien­yl)cyclo­propane

    PubMed Central

    Torre-Fernández, Laura; Suero, Marcos G.; García-Granda, Santiago

    2009-01-01

    In the title compound, C16H18O2S, a new cis-1,2-dimethoxy­cyclo­propane, the two meth­oxy groups are in a cis configuration and in trans positions with respect to the H atom and the phenyl and thienyl rings on the cyclo­propyl group. The mol­ecular packing is dominated by weak inter­molecular C—H⋯O inter­actions, allowing the formation of zigzag chains propagating parallel to the c axis. The dihedral angle between the aromatic rings is 86.12 (8)°. PMID:21582532

  9. Influence of nanosecond repetitively pulsed discharges on the stability of a swirled propane/air burner representative of an aeronautical combustor.

    PubMed

    Barbosa, S; Pilla, G; Lacoste, D A; Scouflaire, P; Ducruix, S; Laux, C O; Veynante, D

    2015-08-13

    This paper reports on an experimental study of the influence of a nanosecond repetitively pulsed spark discharge on the stability domain of a propane/air flame. This flame is produced in a lean premixed swirled combustor representative of an aeronautical combustion chamber. The lean extinction limits of the flame produced without and with plasma are determined and compared. It appears that only a low mean discharge power is necessary to increase the flame stability domain. Lastly, the effects of several parameters (pulse repetition frequency, global flowrate, electrode location) are studied. PMID:26170424

  10. Influence of nanosecond repetitively pulsed discharges on the stability of a swirled propane/air burner representative of an aeronautical combustor

    PubMed Central

    Barbosa, S.; Pilla, G.; Lacoste, D. A.; Scouflaire, P.; Ducruix, S.; Laux, C. O.; Veynante, D.

    2015-01-01

    This paper reports on an experimental study of the influence of a nanosecond repetitively pulsed spark discharge on the stability domain of a propane/air flame. This flame is produced in a lean premixed swirled combustor representative of an aeronautical combustion chamber. The lean extinction limits of the flame produced without and with plasma are determined and compared. It appears that only a low mean discharge power is necessary to increase the flame stability domain. Lastly, the effects of several parameters (pulse repetition frequency, global flowrate, electrode location) are studied. PMID:26170424

  11. Synergy between hexavalent chromium ions and TiO2 nanoparticles inside TUD-1 in the photocatalytic oxidation of propane, a spectroscopic study

    NASA Astrophysics Data System (ADS)

    Hamdy, Mohamed S.

    2016-02-01

    Siliceous TUD-1 mesoporous material was bi-functionalized by titanium dioxide nanoparticles and hexavalent chromium ions. The synthesis was carried out by one-pot procedure based on sol-gel technique. The photocatalytic performance of the prepared material was evaluated in the oxidation of propane under the illumination of ultraviolet light (wavelength = 360 nm) and monitored by in situ Fourier transform infrared spectroscopy. The photocatalytic activity of the prepared material exhibited an extra-ordinary activity than the reference samples that contain either hexavalent chromium ions or titanium dioxide nanoparticles only, confirming the true synergy between hexavalent chromium and tetravalent titanium ions of titanium dioxide nanoparticles.

  12. Volumetric Properties of the Mixture Propan-2-one C3H6O + C14H30 Tetradecane (VMSD1242, LB3383_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume B 'Binary Liquid Systems of Nonelectrolytes II' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Propan-2-one C3H6O + C14H30 Tetradecane (VMSD1242, LB3383_V)' providing data by calculation of molar excess volume from density measurements at variable pressure and constant temperature and mole fraction.

  13. Volumetric Properties of the Mixture Propan-2-one C3H6O + C14H30 Tetradecane (VMSD1342, LB3356_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume B 'Binary Liquid Systems of Nonelectrolytes II' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Propan-2-one C3H6O + C14H30 Tetradecane (VMSD1342, LB3356_V)' providing data by calculation of isothermal compressibility from direct measurements of mass densities at variable pressure and constant temperature and mole fraction.

  14. Volumetric Properties of the Mixture Propenenitrile C3H3N + C3H8O Propan-1-ol (VMSD1111, LB4910_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Propenenitrile C3H3N + C3H8O Propan-1-ol (VMSD1111, LB4910_V)' providing data from direct low-pressure measurement of mass density at variable mole fraction and constant temperature, in the single-phase region(s).

  15. Volumetric Properties of the Mixture Propenenitrile C3H3N + C3H8O Propan-1-ol (VMSD1212, LB4918_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Propenenitrile C3H3N + C3H8O Propan-1-ol (VMSD1212, LB4918_V)' providing data by calculation of molar excess volume from low-pressure density measurements at variable mole fraction and constant temperature.

  16. Volumetric Properties of the Mixture Propenenitrile C3H3N + C3H8O Propan-1-ol (VMSD1511, LB4926_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Propenenitrile C3H3N + C3H8O Propan-1-ol (VMSD1511, LB4926_V)' providing data from direct measurement of low-pressure thermodynamic speed of sound at variable mole fraction and constant temperature, in the single-phase region(s).

  17. Vapor-liquid equilibrium measurements for methyl propanoate-ethanol and methyl propanoate-propan-1-ol at 101. 32 kPa

    SciTech Connect

    Susial, P.; Ortega, J. ); DeAlfonso, C.; Alonso, C. )

    1989-04-01

    Isobaric vapor-liquid equilibrium measurements on binary systems of methyl propanoate with ethanol and propan-1-ol are taken at a constant pressure of 101.32 +- 0.02 kPa. These systems exhibit significant deviations from ideality and are shown to be thermodynamically consistent. The methyl propanoate-ethanol system forms an azeotrope at x = y = 0.483 and T = 345.58{Kappa}. Experimental data are fitted to a suitable equation and are likewise compared with the values predicted by the UNIFAC and ASOG models.

  18. Long-term trends in global trace gas emissions: CH4, ethane, propane, ethyne, C2Cl4, CHCl3

    NASA Astrophysics Data System (ADS)

    Simpson, I. J.; Meinardi, S.; Sulbaek Andersen, M.; Blake, N. J.; Rowland, F. S.; Blake, D. R.

    2011-12-01

    The University of California, Irvine (UC-Irvine) has monitored global atmospheric trace gas mixing ratios since 1978 using ground-based canister measurements in the remote Pacific basin (71N to 47S). The measured gases include methane (CH4), C2-C4 alkanes, ethyne, C1-C3 alkyl nitrates, CFCs, CH3CCl3, CCl4 and H-1211. Long-term records of several of these gases are unique to the UC-Irvine global monitoring network, and here we present our research highlights and inferred global trace gas emission trends. Despite a long-term decline in its global growth rate, the global CH4 mixing ratio has increased by 9% over the past 25 years, from 1647.7 ± 0.6 ppbv in 1985 to 1792.4 ± 0.7 ppbv in 2010, representing a global emission increase of ~48 Tg yr-1 assuming constant global OH levels. Over the same time, the global mixing ratio of ethane has declined by 21%, from 791 ± 19 pptv in 1986 to 625 ± 12 pptv in 2010, or a global emission decrease of ~3.4 Tg yr-1. The global trends of CH4 growth and ethane mixing ratio have shown a remarkably strong correlation in the past 25 years. The long-term global ethane decline has also been accompanied by simultaneous decreases in global levels of propane and the butanes since 1996. This is consistent with a long-term change in a source common to all four compounds, likely a decline in evaporative emissions from the oil and natural gas industry. The combustion tracer ethyne has also shown an 11% decline between 1996 and 2008, most likely related to improved controls on vehicle emissions despite an expanding global vehicle fleet. Global levels of the anthropogenic tracer and CFC-113 precursor tetrachloroethene (C2Cl4) have declined by 60% since 1989, to 2.5 ± 0.2 pptv (or 185 Gg yr-1) in 2009 (Fig. 1). In contrast, global levels of the industrial solvent chloroform (CHCl3) have increased by almost 20% since the late 1990s, from 9.0 ± 0.3 pptv in 1997 to 10.7 ± 0.4 pptv in 2008 (Fig. 1). These results highlight major temporal shifts

  19. Coordination behavior of new bis Schiff base ligand derived from 2-furan carboxaldehyde and propane-1,3-diamine. Spectroscopic, thermal, anticancer and antibacterial activity studies.

    PubMed

    Mohamed, Gehad G; Zayed, Ehab M; Hindy, Ahmed M M

    2015-06-15

    Novel bis Schiff base ligand, [N1,N3-bis(furan-2-ylmethylene)propane-1,3-diamine], was prepared by the condensation of furan-2-carboxaldehyde with propane-1,3-diamine. Its conformational changes on complexation with transition metal ions [Co(II), Ni(II), Cu(II), Mn(II), Cd(II), Zn(II) and Fe(III)] have been studied on the basis of elemental analysis, conductivity measurements, spectral (infrared, (1)H NMR, electronic), magnetic and thermogravimetric studies. The conductance data of the complexes revealed their electrolytic nature suggesting them as 1:2 (for bivalent metal ions) and 1:3 (for Fe(III) ion) electrolytes. The complexes were found to have octahedral geometry based on magnetic moment and solid reflectance measurements. Thermal analysis data revealed the decomposition of the complexes in successive steps with the removal of anions, coordinated water and bis Schiff base ligand. The thermodynamic parameters were calculated using Coats-Redfern equation. The Anticancer screening studies were performed on human colorectal cancer (HCT), hepatic cancer (HepG2) and breast cancer (MCF-7) cell lines. The antimicrobial activity of all the compounds was studied against Gram negative (Escherichia coli and Proteus vulgaris) and Gram positive (Bacillus vulgaris and Staphylococcus pyogones) bacteria. It was observed that the coordination of metal ion has a pronounced effect on the microbial activities of the bis Schiff base ligand. All the metal complexes have shown higher antimicrobial effect than the free bis Schiff base ligand.

  20. Temperature and pressure influence on maximum rates of pressure rise during explosions of propane-air mixtures in a spherical vessel.

    PubMed

    Razus, D; Brinzea, V; Mitu, M; Movileanu, C; Oancea, D

    2011-06-15

    The maximum rates of pressure rise during closed vessel explosions of propane-air mixtures are reported, for systems with various initial concentrations, pressures and temperatures ([C(3)H(8)]=2.50-6.20 vol.%, p(0)=0.3-1.3 bar; T(0)=298-423 K). Experiments were performed in a spherical vessel (Φ=10 cm) with central ignition. The deflagration (severity) index K(G), calculated from experimental values of maximum rates of pressure rise is examined against the adiabatic deflagration index, K(G, ad), computed from normal burning velocities and peak explosion pressures. At constant temperature and fuel/oxygen ratio, both the maximum rates of pressure rise and the deflagration indices are linear functions of total initial pressure, as reported for other fuel-air mixtures. At constant initial pressure and composition, the maximum rates of pressure rise and deflagration indices are slightly influenced by the initial temperature; some influence of the initial temperature on maximum rates of pressure rise is observed only for propane-air mixtures far from stoichiometric composition. The differentiated temperature influence on the normal burning velocities and the peak explosion pressures might explain this behaviour. PMID:21514044

  1. Crystal structure of bis­(propane-1,3-di­ammonium) hexa­fluorido­aluminate fluoride trihydrate

    PubMed Central

    Abdi, I.; Al-Sadhan, K. A.; Ben Ali, A.

    2014-01-01

    The title compound, (C3H10N2)2[AlF6]F·3H2O, was obtained using the solvothermal method with aluminium hydroxide, HF and propane-1,3-di­amine as precursors in ethanol as solvent. The structure consists of isolated [AlF6]3− octa­hedra, diprotonated propane-1,3-di­amine cations [(H2dap)2+], free fluoride ions and water mol­ecules of solvation. The Al—F bond lengths in the octa­hedral [AlF6]3− anions range from 1.7690 (19) to 1.8130 (19) Å, with an average value of 1.794 Å. Each [AlF6]3− anion is surrounded by three water mol­ecules and by six diprotonated amine cations. The ‘free’ fluoride ion is hydrogen bonded to four H atoms belonging to four dications and has a distorted tetra­hedral geometry. The three water mol­ecules are connected by hydrogen bonds, forming trimers that connect the AlF6 octa­hedra and dications into a three-dimensional framework. PMID:25309188

  2. Dynamics of Propane in Silica Mesopores Formed upon PropyleneHydrogenation over Pt Nanoparticles by Time-Resolved FT-IRSpectroscopy

    SciTech Connect

    Waslylenko, Walter; Frei, Heinz

    2007-01-31

    Propylene hydrogenation over Pt nanoparticles supported onmesoporous silica type SBA-15 was monitored by time-resolved FT-IRspectroscopy at 23 ms resolution using short propylene gas pulses thatjoined a continuous flow of hydrogen in N2 (1 atm total pressure).Experiments were conducted in the temperature range 323-413 K. Propanewas formed within 100 milliseconds or faster. The CH stretching regionrevealed distinct bands for propane molecules emerging inside thenanoscale channels of the silica support. Spectral analysis gave thedistribution of the propane product between support and surrounding gasphase as function of time. Kinetic analysis showed that the escape ofpropane molecules from the channels occurred within hundreds ofmilliseconds (3.1 + 0.4 s-1 at 383 K). A steady state distribution ofpropane between gas phase and mesoporous support is established as theproduct is swept from the catalyst zone by the continuous flow ofhydrogen co-reactant. This is the first direct spectroscopic observationof emerging products of heterogeneous catalysis on nanoporous supportsunder reaction conditions.

  3. Presence of lithium ions in MgO lattice: surface characterization by infrared spectroscopy and reactivity towards oxidative conversion of propane.

    PubMed

    Trionfetti, Cristiano; Babich, Igor V; Seshan, K; Lefferts, Leon

    2008-08-01

    The surface morphology of Li-promoted MgO catalysts prepared using the sol-gel method (sg) and wet impregnation procedure (imp), respectively, has been studied by low-temperature infrared spectroscopy of adsorbed CO molecules. The results show that step sites, as unselective catalytic centers, are the major features existing on the surface of pure MgO, and those are active toward the oxidative conversion of propane. However, the concentration of these sites is drastically reduced by the incorporation of lithium ions in the MgO lattice. In fact, the incorporated Li (+) ions tend to move into the surface region and occupy sites associated with lower coordination number (e.g., step sites). Li/MgO-sg catalysts are characterized by a higher concentration of incorporation of lithium compared to Li/MgO-imp. In the case of oxidative dehydrogenation/cracking of propane, Li/MgO-sg catalysts show higher activity and selectivity to olefins compared to materials prepared using wet impregnation. Catalytic performance differs strongly regarding (i) the amount of olefins formed, and (ii) the ratio of C(3)H(6)/C(2)H(4). It is shown that high density of active sites is essential for further oxidative dehydrogenation of propyl radicals to propylene and suppression of cracking reactions pathway.

  4. Low Temperature Propane Oxidation over Co3O4 based Nano-array Catalysts. Ni Dopant Effect, Reaction Mechanism and Structural Stability

    DOE PAGES

    Ren, Zheng; Wu, Zili; Gao, Puxian; Song, Wenqiao; Xiao, Wen; Guo, Yanbing; Ding, Jun; Suib, Steven L.; Gao, Pu-Xian

    2015-06-09

    Low temperature propane oxidation has been achieved by Co3O4-based nano-array catalysts featuring low catalytic materials loading. The Ni doping into the Co3O4 lattice has led to enhanced reaction kinetics at low temperature by promoting the surface lattice oxygen activity. In situ DRIFTS investigation in tandem with isotopic oxygen exchange reveals that the propane oxidation proceeds via Mars-van Krevelen mechanism where surface lattice oxygen acts as the active site whereas O2 in the reaction feed does not directly participate in CO2 formation. The Ni doping promotes the formation of less stable carbonates on the surface to facilitate the CO2 desorption. Themore » thermal stability of Ni doped Co3O4 decreases with increased Ni concentration while catalytic activity increases. A balance between enhanced activity and compromised thermal stability shall be considered in the Ni doped Co3O4 nano-array catalysts for low temperature hydrocarbon oxidation. This study provides useful and timely guidance for rational catalyst design toward low temperature catalytic oxidation.« less

  5. Experimental study of the removal of copper ions using hydrogels of xanthan, 2-acrylamido-2-methyl-1-propane sulfonic acid, montmorillonite: Kinetic and equilibrium study.

    PubMed

    Aflaki Jalali, Marzieh; Dadvand Koohi, Ahmad; Sheykhan, Mehdi

    2016-05-20

    In this paper, removal of copper ions from aqueous solution using novel xanthan gum (XG) hydrogel, xanthan gum-graft-2-acrylamido-2-methyl-1-propane sulfonic acid (XG-g-P(AMPS)) hydrogel and xanthan gum-graft-2-acrylamido-2-methyl-1-propane sulfonic acid/montmorillonite (XG-g-P(AMPS)/MMT) hydrogel composite were studied. The structure and morphologies of the xanthan-based hydrogels were characterized by Fourier transform infrared spectroscopy (FTIR) and scanning electron microscope (SEM). Adsorbents comprised a porous crosslink structure with side chains that carried carboxyl, hydroxyl and sulfonate. Maximum adsorption was observed in the pH=5.2, initial concentrations of Cu(2+)=321.8 mg/L, Temperature=45 °C, contact time=5 h with 0.2 g/50 mL of the hydrogels. Adsorption process was found to follow Langmuir isotherm model with maximum adsorption capacity of 24.57, 39.06 and 29.49 mg/g for the XG, XG-g-P(AMPS) and XG-g-P(AMPS)/MMT, respectively. Adsorption kinetics data fitted well with pseudo second order model. The negative ΔG° values and the positive ΔS° confirmed that the adsorption was a spontaneous process. The positive ΔH° values suggested that the adsorption was endothermic in nature.

  6. Three p-xylene-solvated pseudopolymorphs of bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato]copper(II).

    PubMed

    Hori, Akiko; Nakajima, Kyosuke; Yuge, Hidetaka

    2014-10-01

    The Cu(2+) ions in the title compounds, namely bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato-κ(2)O,O']copper(II) p-xylene n-solvate, [Cu(C15HF10O2)2]·nC8H10, with n = 1, (I), n = 2, (II), and n = 4, (III), are coordinated by two 1,3-bis(pentafluorophenyl)propane-1,3-dionate ligands. The coordination complexes of (I) and (II) have crystallographic inversion symmetry at the Cu atom and the p-xylene molecule in (I) also lies across an inversion centre. The p-xylene molecules in (I) and (II) interact with the pentafluorophenyl groups of the complex via arene-perfluoroarene interactions. In the crystal of (III), two of the p-xylene molecules interact with the pentafluorophenyl groups via arene-perfluoroarene interactions. The other two p-xylene molecules are located on the CuO4 coordination plane, forming a uniform cavity produced by metal···π interactions.

  7. Phase behaviour of propane- and scCO(2)-microemulsions and their prominent role for the recently proposed foaming procedure POSME (Principle of Supercritical Microemulsion Expansion).

    PubMed

    Schwan, Michael; Kramer, Lorenz G A; Sottmann, Thomas; Strey, Reinhard

    2010-06-21

    In this study we present a systematic investigation of the phase behaviour of microemulsions containing near- or supercritical solvents. The starting point of this study are microemulsions of the type water/NaCl-propane-polyethyleneglycol mono-n-alkyl ether at a pressure of p = 220 bar. Replacing propane stepwise by supercritical carbon dioxide the typical phase behavior of microemulsions systems can still be observed using scCO(2) as the only nonpolar solvent. Thus, increasing the temperature a phase inversion from a CO(2)-in-water to a water-in-CO(2) microemulsion via a balanced CO(2) microemulsion is found for the first time. Such mixtures of water and scCO(2) are expected to be versatile solvents in green chemistry. In addition, the formulation of supercritical microemulsions is the initial step in the Principle Of Supercritical Microemulsion Expansion (POSME) (DE Pat., 102 60 815 B4, 2008), which is a promising new approach for the production of low-cost nanocellular foams. In contrast to conventional foaming procedures, this approach suggests the formation of nanofoams by expanding micelles swollen with a supercritical blowing agent, thereby ensuring the unhindered formation and growth of bubbles without mass transport.

  8. Modified tin(IV) oxide (M/SnO{sub 2} M = Cr, La, Pr, Nd, Sm, Gd) catalysts for the oxidation of carbon monoxide and propane

    SciTech Connect

    Harrison, P.G.; Bailey, C.; Azelee, W.

    1999-08-15

    Materials formed by the incorporation of rare earth cations (M = La, Pr, Nd, Sm, Gd) into tin(IV) oxide using coprecipitation methods show no significant enhancement of catalytic activity toward the oxidation of carbon monoxide or propane over that of tin(IV) oxide itself. For chromium-promoted tin(IV) oxide catalysts, the temperature by which complete conversion of carbon monoxide and propane occurs is dependent on both the Cr:Sn atom ratio in the catalyst and the preparative route by which the chromium is incorporated into the catalyst. As prepared all the materials are hydrous gels comprising very small (<10 nm) particles of tin(IV) oxide over which the modifying metal component appears to be dispersed uniformly. Chromium(VI) oxyanions of the types CrO{sub 4}{sup 2{minus}}, Cr{sub 2}O{sub 7}{sup 2{minus}}, and Cr{sub 3}O{sub 10}{sup 2{minus}} are sorbed on to the surface of the tin(IV) oxide particles in the freshly prepared material derived from aqueous CrO{sub 3} and tin(IV) oxide gel. Prior to calcination the materials are microporous, but significant changes in specific surface area, pore volume, and pore size occur at temperature >673 K. Powder X-ray diffraction and electron microscopy confirm the formation of Cr{sub 2}O{sub 3} on calcination at K.

  9. Low Temperature Propane Oxidation over Co3O4 based Nano-array Catalysts. Ni Dopant Effect, Reaction Mechanism and Structural Stability

    SciTech Connect

    Ren, Zheng; Wu, Zili; Gao, Puxian; Song, Wenqiao; Xiao, Wen; Guo, Yanbing; Ding, Jun; Suib, Steven L.; Gao, Pu-Xian

    2015-06-09

    Low temperature propane oxidation has been achieved by Co3O4-based nano-array catalysts featuring low catalytic materials loading. The Ni doping into the Co3O4 lattice has led to enhanced reaction kinetics at low temperature by promoting the surface lattice oxygen activity. In situ DRIFTS investigation in tandem with isotopic oxygen exchange reveals that the propane oxidation proceeds via Mars-van Krevelen mechanism where surface lattice oxygen acts as the active site whereas O2 in the reaction feed does not directly participate in CO2 formation. The Ni doping promotes the formation of less stable carbonates on the surface to facilitate the CO2 desorption. The thermal stability of Ni doped Co3O4 decreases with increased Ni concentration while catalytic activity increases. A balance between enhanced activity and compromised thermal stability shall be considered in the Ni doped Co3O4 nano-array catalysts for low temperature hydrocarbon oxidation. This study provides useful and timely guidance for rational catalyst design toward low temperature catalytic oxidation.

  10. Coordination behavior of new bis Schiff base ligand derived from 2-furan carboxaldehyde and propane-1,3-diamine. Spectroscopic, thermal, anticancer and antibacterial activity studies

    NASA Astrophysics Data System (ADS)

    Mohamed, Gehad G.; Zayed, Ehab M.; Hindy, Ahmed M. M.

    2015-06-01

    Novel bis Schiff base ligand, [N1,N3-bis(furan-2-ylmethylene)propane-1,3-diamine], was prepared by the condensation of furan-2-carboxaldehyde with propane-1,3-diamine. Its conformational changes on complexation with transition metal ions [Co(II), Ni(II), Cu(II), Mn(II), Cd(II), Zn(II) and Fe(III)] have been studied on the basis of elemental analysis, conductivity measurements, spectral (infrared, 1H NMR, electronic), magnetic and thermogravimetric studies. The conductance data of the complexes revealed their electrolytic nature suggesting them as 1:2 (for bivalent metal ions) and 1:3 (for Fe(III) ion) electrolytes. The complexes were found to have octahedral geometry based on magnetic moment and solid reflectance measurements. Thermal analysis data revealed the decomposition of the complexes in successive steps with the removal of anions, coordinated water and bis Schiff base ligand. The thermodynamic parameters were calculated using Coats-Redfern equation. The Anticancer screening studies were performed on human colorectal cancer (HCT), hepatic cancer (HepG2) and breast cancer (MCF-7) cell lines. The antimicrobial activity of all the compounds was studied against Gram negative (Escherichia coli and Proteus vulgaris) and Gram positive (Bacillus vulgaris and Staphylococcus pyogones) bacteria. It was observed that the coordination of metal ion has a pronounced effect on the microbial activities of the bis Schiff base ligand. All the metal complexes have shown higher antimicrobial effect than the free bis Schiff base ligand.

  11. Operando and in situ Raman studies of alumina-supported vanadium phosphate catalysts in propane ammoxidation reaction: activity, selectivity and active phase formation.

    PubMed

    Mikolajska, Ewelina; Rasmussen, Søren B; Lewandowska, Anna E; Bañares, Miguel A

    2012-02-21

    Alumina-supported VPO materials are efficient catalysts for acrylonitrile production by the propane ammoxidation reaction. In order to understand the structure-activity relationship and the nature of active sites, operando Raman-GC analyses follow the states of vanadium and phosphorous species on an alumina support during ammoxidation. These oxides were supported on γ-alumina by incipient wetness impregnation at a total V + P loading of two monolayers, which led to incipient formation of nanoscaled VPO crystallites possessing a high surface-to-volume ratio. Since catalysis occurs at the catalyst surface, which is related to the surface and outermost layers, this approach allows studying surface species phase transformations near the surface, and relates changes in activity and selectivity to variations in composition and structure. Dispersed surface V(5+) species appear selective to acetonitrile and V(4+) species would promote selectivity to acrylonitrile. This study suggests that V(3+) is probably involved in redox processes during propane ammoxidation and that the balance between these vanadium species would be determined by activation process. PMID:21993840

  12. Temperature and pressure influence on maximum rates of pressure rise during explosions of propane-air mixtures in a spherical vessel.

    PubMed

    Razus, D; Brinzea, V; Mitu, M; Movileanu, C; Oancea, D

    2011-06-15

    The maximum rates of pressure rise during closed vessel explosions of propane-air mixtures are reported, for systems with various initial concentrations, pressures and temperatures ([C(3)H(8)]=2.50-6.20 vol.%, p(0)=0.3-1.3 bar; T(0)=298-423 K). Experiments were performed in a spherical vessel (Φ=10 cm) with central ignition. The deflagration (severity) index K(G), calculated from experimental values of maximum rates of pressure rise is examined against the adiabatic deflagration index, K(G, ad), computed from normal burning velocities and peak explosion pressures. At constant temperature and fuel/oxygen ratio, both the maximum rates of pressure rise and the deflagration indices are linear functions of total initial pressure, as reported for other fuel-air mixtures. At constant initial pressure and composition, the maximum rates of pressure rise and deflagration indices are slightly influenced by the initial temperature; some influence of the initial temperature on maximum rates of pressure rise is observed only for propane-air mixtures far from stoichiometric composition. The differentiated temperature influence on the normal burning velocities and the peak explosion pressures might explain this behaviour.

  13. Hybrid nanocarbon as a catalyst for direct dehydrogenation of propane: formation of an active and selective core-shell sp2/sp3 nanocomposite structure.

    PubMed

    Wang, Rui; Sun, Xiaoyan; Zhang, Bingsen; Sun, Xiaoying; Su, Dangsheng

    2014-05-19

    Hybrid nanocarbon, comprised of a diamond core and a graphitic shell with a variable sp(2)-/sp(3)-carbon ratio, is controllably obtained through sequential annealing treatment (550-1300 °C) of nanodiamond. The formation of sp(2) carbon increases with annealing temperature and the nanodiamond surface is reconstructed from amorphous into a well-ordered, onion-like carbon structure via an intermediate composite structure--a diamond core covered by a defective, curved graphene outer shell. Direct dehydrogenation of propane shows that the sp(2)-/sp(3)-nanocomposite exhibits superior catalytic performance to that of individual nanodiamond and graphitic nanocarbon. The optimum catalytic activity of the diamond/graphene composite depends on the maximum structural defectiveness and high chemical reactivity of the ketone groups. Ketone-type functional groups anchored on the defects/vacancies are active for propene formation; nevertheless, once the oxygen functional groups are desorbed, the defects/vacancies alone might be active sites responsible for the C-H bond activation of propane. PMID:24740731

  14. Physical Characterization and Effect of Effective Surface Area on the Sensing Properties of Tin Dioxide Thin Solid Films in a Propane Atmosphere

    PubMed Central

    Gómez-Pozos, Heberto; González-Vidal, José Luis; Torres, Gonzalo Alberto; de la Luz Olvera, María; Castañeda, Luis

    2014-01-01

    The physical properties and the effect of effective surface area (ESA) on the sensing properties of tin dioxide [SnO2] thin films in air and propane [C3H8] atmosphere as a function of operating temperature and gas concentration have been studied in this paper. SnO2 thin films with different estimated thicknesses (50, 100 and 200 nm) were deposited on glass substrates by the chemical spray technique. Besides, they were prepared at two different deposition temperatures (400 and 475 °C). Tin chloride [SnCl4 · 5H2O] with 0.2 M concentration value and ethanol [C2H6O] were used as tin precursor and solvent, respectively. The morphological, and structural properties of the as-prepared films were analyzed by AFM and XRD, respectively. Gas sensing characteristics of SnO2 thin solid films were measured at operating temperatures of 22, 100, 200, and 300 °C, and at propane concentration levels (0, 5, 50, 100, 200, 300, 400, and 500 ppm). ESA values were calculated for each sample. It was found that the ESA increased with the increasing thickness of the films. The results demonstrated the importance of the achieving of a large effective surface area for improving gas sensing performance. SnO2 thin films deposited by spray chemical were chosen to study the ESA effect on gas sensing properties because their very rough surfaces were appropriate for this application. PMID:24379046

  15. Influence of The Metamorphism Grade and Porosity of Hard Coal on Sorption and Desorption of Propane / Wpływ Stopnia Metamorfizmu I Porowatości Węgli Kamiennych Na Sorpcję I Desorpcję Propanu

    NASA Astrophysics Data System (ADS)

    Dudzińska, Agnieszka; Żyła, Mieczysław; Cygankiewicz, Janusz

    2013-09-01

    In this paper results of investigations of sorption of hard coal samples collected from the extracted coal seams of Polish coal mines are presented. As sorbate propane was used. Examinations were carried out in the temperature of 298 K by means of volumetric assessment with the use of apparatus ASAP 2010 of Micromeritics. On the basis of conducted examinations it has been found out that the amount of sorbed propane depend on a type of coal, its metamorphism grade, content of oxygen element, moisture and porosity of these coals. The greatest amounts of propane are sorbed by low carbonized, high-porosity coals of high content of oxygen and moisture. Sorption of relatively high amounts of propane by these coals (ca. 10 cm3/g) is a result of the influence of polar surface of coals with molecules of propane and good availability of internal microporous structure of these coals for molecules of examined sorbate. Medium and high carbonized coals sorb insignificant amounts of propane. These coals have compact structure and non-polar character of their surface, their internal porous structure is to a minor degree available for propane molecules in conditions of carried out research. Sorption of propane in this case, takes place mainly in surface pores and on the surface of coals. Moreover, measurements of desorption isotherms of propane showing irreversible character of sorption were made. Desorption isotherms do not come together with sorption isotherms forming open hysteresis loop. Amounts of non-desorbing propane remaining in the coal depend on the type of examined coal. W pracy przedstawiono wyniki badań sorpcji próbek węgli kamiennych pobranych z eksploatowanych pokładów węglowych polskich kopalń. Jako sorbat zastosowano propan. Badania przeprowadzono w temperaturze 298 K metodą objętościową z wykorzystaniem aparatu ASAP 2010 firmy Micromeritics. Na podstawie przeprowadzonych badań stwierdzono, że ilości sorbowanego propanu są zależne od rodzaju w

  16. Vertical and meridional distribution of ethane, acetylene and propane in Saturn’s stratosphere from CIRS/Cassini limb observations

    NASA Astrophysics Data System (ADS)

    Guerlet, Sandrine; Fouchet, Thierry; Bézard, Bruno; Simon-Miller, Amy A.; Michael Flasar, F.

    2009-09-01

    Measuring the spatial distribution of chemical compounds in Saturn's stratosphere is critical to better understand the planet's photochemistry and dynamics. Here we present an analysis of infrared spectra in the range 600-1400 cm -1 acquired in limb geometry by the Cassini spacecraft between March 2005 and January 2008. We first determine the vertical temperature profiles from 3 to 0.01 hPa, at latitudes ranging from 70°N to 80°S. We infer a similar meridional temperature gradient at 1-2 hPa as in recent previous studies [Fletcher, L.N., Irwin, P.G.J., Teanby, N.A., Orton, G.S., Parrish, P.D., de Kok, R., Howett, C., Calcutt, S.B., Bowles, N., Taylor, F.W., 2007. Icarus 189, 457-478; Howett, C.J.A., Irwin, P.G.J., Teanby, N.A., Simon-Miller, A., Calcutt, S.B., Fletcher, L.N., de Kok, R., 2007. Icarus 190, 556-572]. We then retrieve the vertical profiles of C2H6 and C2H2 from 3 to 0.01 hPa and of C3H8 around 1 hPa. At 1 hPa, the meridional variation of C2H2 is found to follow the yearly averaged solar insolation, except for a strong equatorial mole fraction of 8×10-7, nearly two times higher than expected. This enhancement in abundance can be explained by the descent of hydrocarbon-rich air, with a vertical wind speed at the equator of 0.25±0.1 mm/s at 1 hPa and 0.4±0.15 mm/s at 0.1 hPa. The ethane distribution is relatively uniform at 1 hPa, with only a moderate 25% increase from 35°S to 80°S. Propane is found to increase from north to south by a factor of 1.9, suggesting that its lifetime may be shorter than Saturn's year at 1 hPa. At high altitudes (1 Pa), C2H2 and C2H6 abundances depart significantly from the photochemical model predictions of Moses and Greathouse [Moses, J.I., Greathouse, T.K., 2005. J. Geophys. Res. 110, 9007], except at high southern latitudes (62, 70 and 80°S) and near the equator. The observed abundances are found strongly depleted in the 20-40°S region and enhanced in the 20-30°N region, the latter coinciding with the ring

  17. [Active oxygen species of Co-V-O catalysts in propane oxidative dehydrogenation analyzed by FTIR and XPS spectra].

    PubMed

    Xu, Ai-Ju; Lin, Qin; Bao, Zhaorigetu; Jia, Mei-Lin; Liu, Lian-Yun

    2009-02-01

    A series of Co-V-O (meta-CoV2O6, pyro-Co2 V2 O7, and ortho-Co3 V2 O8) catalysts were prepared by microwave oxalate co-precipitation method and characterized by (XRD), TEM, BET, FTIR, XPS, H2-TPR and conductivity measurement. The catalytic characters of the catalysts for propane oxidative dehydrogenation were investigated. The FTIR spectra of catalysts were obtained in the range of 400-1 100 cm(-1) and their major bands were assigned. The peak separation fitting of O(1s) XPS spectra was carried out and the quantity of oxygen species was calculated. The results of XRD characterization showed that pure meta-CoV2O6, pyro-Co2 V2O7, and ortho-Co3 V2O8 with nice structure were obtained. The TEM images demonstrated that the catalysts showed uniform particle with the mean particle size of 20-30 nm. The diagram of the relationship between electrical conductivity and oxygen partial pressure of Co3V2O8 and Co2 V2O7 showed dsigma/dPo2 > 0, which implied that these were p-type semiconductor, and CoV2O6 reverse showed dsigma/dPo2 < 0, which implied n-type semiconductor. 48.12%, 47.82% and 35.24% of C3 H6 selectivities were obtained for p-type semiconductor Co3 V2O8, CO2 V2O7 and n-type CoV2O6 catalysts respectively at 10% C3H6 conversion, and the results showed that p-type semiconductor catalysts Co3 V2O8 and Co2 V2O7 showed higher activity than n-type catalyst CoV2O6. The results of FTIR, XPS, H2-TPR and conductivity measurement indicated that transferring between non-stoichiometric and lattice oxygen that easily happened in Co3 V2O8 and Co2 V2O7 catalysts might promote the oxidation-reduction reaction between different valence vanadium species, and promoted the oxygen vacancy formation. Furthermore, the forming of Co-O-V bridge bond that was easy to shift between Co and V increased the mobile oxygen species of O2-, O2(2-) and O- and made the redox reaction among different valence V be realized. It is concluded that high catalytic properties of p-type semiconductor Co3 V2O8 and

  18. Uptake and Reactions of Formaldehyde, Acetaldehyde, Acetone, Propanal and Ethanol in Sulfuric Acid solutions at 200-240 K: Implications for upper tropospheric aerosol composition

    NASA Astrophysics Data System (ADS)

    Iraci, L. T.; Williams, M. B.; Axson, J.; Michelsen, R.

    2007-12-01

    The production of light absorbing, organic material in aerosol that is normally considered to be transparent in the UV and visible wavelength regions has significant implications for biogeochemical cycling and climate modelling. Production mechanisms likely involve carbonyl compounds such as formaldehyde, acetone, acetaldehyde and propanal that are present in significant quantities in the upper troposphere (UT). In this study, we have performed experiments focusing on a class of acid catalyzed carbonyl reactions, the formation of acetals. R2C=O + 2R'OH --> R2C(OR')2 + H2O Using a Knudsen cell apparatus, we have measured the rate of uptake of formaldehyde, acetaldehyde, acetone, propanal, and ethanol into sulfuric acid solutions ranging between 40-70 wt% of acid, containing 0-0.1 M of ethanol, acetone or formaldehyde at temperatures of 220-250 K. For all reactant pairs, the aldol condensation path, including self reaction, should be insignificant at the acidities studied. Evidence for reaction between organics was observed for all pairs, except those involving propanal which were likely limited by the very low solubility. We attribute enhanced uptake to the formation of acetals, such as 1,1-diethoxyethane and 2,2- diethoxypropane, among others. Enhanced uptake was observed to proceed on timescales > 1 hour and sometimes shows complex dependence on acidity that is likely related to speciation of the individual carbonyls in acidic solution. The acetal products do not absorb in the visible but are less volatile than parent molecules, allowing for accumulation in sulfuric acid particles, and enhanced uptake. Cross reactions of carbonyls with alcohols in sulfuric acid medium have not been previously measured, yet methanol and ethanol show high solubility and are present at significant concentrations in the UT. Thus even at slow reaction rates, the acetal reaction has ample starting material and proceeds under conditions common to the UT. We will present results for the

  19. A Fatal Case of Acute Butane-Propane Poisoning in a Prisoner Under Psychiatric Treatment: Do These 2 Factors Have an Arrhythmogenic Interaction, Thus Increasing the Cardiovascular Risk Profile?

    PubMed

    Gioia, Sara; Lancia, Massimo; Bacci, Mauro; Suadoni, Fabio

    2015-12-01

    Sudden death due to inhalation of aliphatic hydrocarbons such as butane and propane is well described in the literature. The main mechanism involved is the induction of a fatal cardiac arrhythmia. This phenomenon is frequently associated with prisoners who accidentally die while sniffing these volatile substances with an abuse purpose. Furthermore, such prisoners are often under psychiatric treatment; specific drugs belonging to this pharmacological class lead to a drug-related QT interval prolongation, setting the stage for torsade de pointes. In this article, we present the case of a prisoner died after sniffing a butane-propane gas mixture from a prefilled camping stove gas canister. The man was under psychiatric drugs due to mental disorders. He was constantly subjected to electrocardiogram to monitor the QTc (corrected QT interval), which was 460 milliseconds long. Toxicological analysis on cadaveric samples was performed by means of gas chromatography (head space) and revealed the presence of butane and propane at low levels. The aim of this article was to discuss a possible arrhythmogenic interaction of QT interval prolongation induced by psychiatric drugs and butane-propane inhalations, increasing the cardiovascular risk profile. In other words, evidence may suggest that prisoners, under these circumstances, are more likely to experience cardiovascular adverse effects. We believe that this study underlines the need to take this hypothesis into account to reduce death risk in prison and any medical-related responsibilities. Further studies are needed to validate the hypothesis.

  20. A Fatal Case of Acute Butane-Propane Poisoning in a Prisoner Under Psychiatric Treatment: Do These 2 Factors Have an Arrhythmogenic Interaction, Thus Increasing the Cardiovascular Risk Profile?

    PubMed

    Gioia, Sara; Lancia, Massimo; Bacci, Mauro; Suadoni, Fabio

    2015-12-01

    Sudden death due to inhalation of aliphatic hydrocarbons such as butane and propane is well described in the literature. The main mechanism involved is the induction of a fatal cardiac arrhythmia. This phenomenon is frequently associated with prisoners who accidentally die while sniffing these volatile substances with an abuse purpose. Furthermore, such prisoners are often under psychiatric treatment; specific drugs belonging to this pharmacological class lead to a drug-related QT interval prolongation, setting the stage for torsade de pointes. In this article, we present the case of a prisoner died after sniffing a butane-propane gas mixture from a prefilled camping stove gas canister. The man was under psychiatric drugs due to mental disorders. He was constantly subjected to electrocardiogram to monitor the QTc (corrected QT interval), which was 460 milliseconds long. Toxicological analysis on cadaveric samples was performed by means of gas chromatography (head space) and revealed the presence of butane and propane at low levels. The aim of this article was to discuss a possible arrhythmogenic interaction of QT interval prolongation induced by psychiatric drugs and butane-propane inhalations, increasing the cardiovascular risk profile. In other words, evidence may suggest that prisoners, under these circumstances, are more likely to experience cardiovascular adverse effects. We believe that this study underlines the need to take this hypothesis into account to reduce death risk in prison and any medical-related responsibilities. Further studies are needed to validate the hypothesis. PMID:26332645

  1. New observations on the ultrastructure of mammalian conducting airway epithelium: application of liquid propane freezing, deep etching, and rotary shadowing techniques to freeze-fracture.

    PubMed

    Carson, J L; Collier, A M; Smith, C A

    1984-10-01

    Freshly isolated, viable hamster tracheal epithelium was rapidly frozen in a jet of liquid nitrogen-cooled propane followed by freeze-fracture, deep etching, and rotary shadowing. Examination of the replicas by transmission electron microscopy revealed characteristic features of both ciliated and nonciliated cells, profiles of tight junctional complexes, and two distinct types of membrane particle complexes. The findings of this study suggest that rapid freezing of viable biological specimens coupled with freeze-fracture, deep etching, and rotary shadowing may provide a useful approach to achieving some additional perspectives of cell structure and function. Since the experimental protocol avoided any use of chemical fixation and processing procedures generally employed in electron microscopy, this study also validates for airway epithelium the details of fine structure observed using more conventional ultrastructural methods. PMID:6544880

  2. Gas-phase NMR. Part I. Conformational energies of 1,2-disubstituted propanes and a comparison with MM2 and MNDO calculations

    NASA Astrophysics Data System (ADS)

    Miyajima, Takashi; Hirano, Tsuneo; Sato, Hisaya

    1984-11-01

    Gas-phase 1H NMR spectra of 1,2-dichloropropane (1,2-DCP) and 1,2-di(methoxy- d3)-propane (1,2-DMP) have been measured. The conformational energies of these molecules in the gas phase were determined from the observed coupling constants under a three rotational isomeric state model and are compared with the theoretical values from MM2 molecular mechanics and MNDO molecular orbital calculations. The results indicate that gas-phase NMR is useful method for the determination of conformational energies of relatively complex molecules, and that the MNDO results are more reasonable than the MM2 results for molecules containing electronegative atoms such as oxygen.

  3. Conglomerate formative precursor of chiral drug timolol: 3-(4-Morpholino-1,2,5-thiadiazol-3-yloxy)-propane-1,2-diol

    NASA Astrophysics Data System (ADS)

    Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Fayzullin, Robert R.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.

    2015-05-01

    Solid state properties of 3-(4-N-morpholino-1,2,5-thiadiazol-3-yloxy)-propane-1,2-diol 3, the synthetic precursor of popular drug timolol, have been investigated. The original solubility test, the data of X-ray diffraction and DSC methods indicate that the compound is prone to spontaneous resolution. Diol 3 crystallizing from both enantiopure or racemic feed material forms "guaifenesin-like" crystal packing in which the classic H-bonded bilayers, framed in both sides by hydrophobic molecular fragments, act as the basic supramolecular motif. The main chain conformation of the molecules in the crystals of diol 3 differs from that in the guaifenesin crystals, and this fact changes the absolute configuration of spiral columns formed by intermolecular hydrogen bonds in crystals of 3 as compared with guaifenesin crystals.

  4. Crystal structure of trans-aqua­(perchlorato-κO)bis­(propane-1,3-di­amine-κ2 N,N′)copper(II) perchlorate

    PubMed Central

    Govindaraj, J.; Rajkumar, K.; Ganeshraja, A. S.; Anbalagan, K.; SubbiahPandi, A.

    2014-01-01

    In the title compound, [Cu(ClO4)(C3H10N2)2(H2O)]ClO4, the CuII atom has a distorted octa­hedral coordination sphere and is coordinated by the N atoms of two propane-1,3-di­amine ligands in the equatorial plane. The axial positions are occupied by a water O atom and an O atom of a disordered perchlorate anion [occupancy ratio 0.631 (9):0.369 (9)]. In the crystal, the various components are linked via O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds, forming sheets lying parallel to (001). PMID:25484768

  5. Cinnamic acid hydrogen bonds to isoniazid and N'-(propan-2-ylidene)isonicotinohydrazide, an in situ reaction product of isoniazid and acetone.

    PubMed

    Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V; Belyakov, Sergey

    2014-04-01

    A new polymorph of the cinnamic acid-isoniazid cocrystal has been prepared by slow evaporation, namely cinnamic acid-pyridine-4-carbohydrazide (1/1), C9H8O2·C6H7N3O. The crystal structure is characterized by a hydrogen-bonded tetrameric arrangement of two molecules of isoniazid and two of cinnamic acid. Possible modification of the hydrogen bonding was investigated by changing the hydrazide group of isoniazid via an in situ reaction with acetone and cocrystallization with cinnamic acid. In the structure of cinnamic acid-N'-(propan-2-ylidene)isonicotinohydrazide (1/1), C9H8O2·C9H11N3O, carboxylic acid-pyridine O-H···N and hydrazide-hydrazide N-H···O hydrogen bonds are formed.

  6. The syntheses of 1-(2-thienyl)-2-(methylamino) propane (methiopropamine) and its 3-thienyl isomer for use as reference standards.

    PubMed

    Angelov, D; O'Brien, J; Kavanagh, P

    2013-03-01

    1-(2-Thienyl)-2-(methylamino)propane (methiopropamine, MPA), the thiophene analogue of methamphetamine, has recently appeared on a number of websites offering 'legal highs' for sale and has also been reported as a new psychoactive substance by the European Monitoring Centre for Drugs and Drugs Addiction (EMCDDA) Early Warning System. The drug is currently not controlled in the European Union (EU) but it would be expected that forensic laboratories will encounter it during routine analysis. As no reference standard was available, we have established a three-step protocol for its synthesis. We have also synthesized its 3-thienyl isomer and have established that this is separable from methiopropamine by gas chromatography using one of our routine protocols. The synthetic methodology presented here could be readily extended to the syntheses of analogous compounds.

  7. 1-[2-(2-Methoxyphenylamino)ethylamino]-3-(naphthalene-1- yloxy)propan-2-ol may be a promising anticancer drug.

    PubMed

    Nishizaki, Tomoyuki; Kanno, Takeshi; Tsuchiya, Ayako; Kaku, Yoshiko; Shimizu, Tadashi; Tanaka, Akito

    2014-01-01

    We have originally synthesized the naftopidil analogue 1-[2-(2-methoxyphenylamino)ethylamino]-3-(naphthalene-1-yloxy)propan-2-ol (HUHS 1015) as a new anticancer drug. HUHS1015 induces cell death in a wide variety of human cancer cell lines originated from malignant pleural mesothelioma, lung cancer, hepatoma, gastric cancer, colorectal cancer, bladder cancer, prostate cancer, and renal cancer. HUHS1015-induced cell death includes necrosis (necroptosis) and apoptosis, and the underlying mechanism differs depending upon cancer cell types. HUHS1015 effectively suppresses tumor growth in mice inoculated with NCI-H2052, MKN45, or CW2 cells, with a potential similar to or higher than that of currently used anticancer drugs. Here we show how HUHS1015 might offer brilliant hope for cancer therapy. PMID:25532843

  8. Hexaaqua-cobalt(II) 5,5'-(propane-1,3-diyldithio)bis-(1H-tetra-zole-1-acetate).

    PubMed

    Liang, Wan-Ling; Yu, Qing; Zhang, Xiu-Qing; Qin, Jiang-Ke; Liang, Hong

    2009-07-29

    The asymmetric unit of the title complex, [Co(H(2)O)(6)](C(9)H(10)N(8)O(4)S(2)), contains one-half of a [Co(H(2)O)(6)](2+) cation and one-half of a 5,5'-(propane-1,3-diyldithio)bis-(1H-tetra-zole-1-acetate) (battp(2-)) anion. The Co(II) center is coordinated by six H(2)O mol-ecules in a distorted octa-hedral coordination environment. In the crystal structure, intra- and inter-molecular O-H⋯O and O-H⋯N hydrogen bonds link the cations and anions into a three-dimensional network. π-π contacts between the tetra-zole rings [centroid-centroid distance = 3.346 (1) Å] may further stabilize the structure.

  9. Aldol Condensation Products and Polyacetals in Organic Films Formed from Reactions of Propanal in Sulfuric Acid at Upper Troposphere/Lower Stratosphere (UT/LS) Aerosol Acidities

    NASA Astrophysics Data System (ADS)

    Bui, J. V. H.; Perez-Montano, S.; Li, E. S. W.; Nelson, T. E.; Ha, K. T.; Leong, L.; Iraci, L. T.; Van Wyngarden, A. L.

    2015-12-01

    Aerosols in the upper troposphere and lower stratosphere (UT/LS) consist mostly of concentrated sulfuric acid (40-80 wt. %) which is highly reflective towards UV and visible radiation. However, airborne measurements have shown that these particles may also contain a significant amount of organic material. Experiments combining organics (propanal, glyoxal and/or methylglyoxal) with sulfuric acid at concentrations typical of UT/LS aerosols produced highly colored surface films (and solutions) that have the potential to impact chemical, optical and/or cloud-forming properties of aerosols. In order to assess the potential for such films to impact aerosol chemistry or climate properties, experiments were performed to identify the chemical processes responsible for film formation. Surface films were analyzed via Attenuated Total Reflectance-FTIR and Nuclear Magnetic Resonance spectroscopies and are shown to consist primarily of aldol condensation products and cyclic and linear polyacetals, the latter of which are likely responsible for separation from the aqueous phase.

  10. Bis(4-amino­benzene­sulfonato-κO)bis­(propane-1,3-diamine-κ2 N,N′)copper(II) dihydrate

    PubMed Central

    Zhang, Ke-Juan; Meng, Xiang-Gao; Li, Xiu-Ling

    2009-01-01

    In the title compound, [Cu(C3H10N2)2(C6H6NO3S)2]·2H2O, the CuII atom lies on an inversion center and is hexa­coordinated by four N atoms from two 1,3-diamino­propane ligands and two O atoms from two 4-amino­benzene­sulfonate ligands in a trans arrangement, displaying a distorted and axially elongated octa­hedral coordination geometry, with the O atoms at the axial positions. A three-dimensional network is formed in the crystal structure through O—H⋯O, N—H⋯O and N—H⋯N hydrogen bonds. PMID:21578685

  11. A hybrid sol–gel synthesis of mesostructured SiC with tunable porosity and its application as a support for propane oxidative dehydrogenation.

    PubMed

    Xu, Jie; Liu, Yong-Mei; Xue, Bing; Li, Yong-Xin; Cao, Yong; Fan, Kang-Nian

    2011-06-01

    Porous silicon carbide (SiC) is of great potential as catalyst support in several industrially important reactions because of its unique thermophysical characteristics. Previously porous SiC was mostly obtained by a simple sol–gel or reactive replica technique which can only produce a material with low or medium surface area (< 50 m2 g(−1)). Here we report a new hybrid sol–gel approach to synthesize mesostructured SiC with high surface area (151–345 m2 g(−1)) and tunable porosity. The synthesis route involves a facile co-condensation of TEOS and alkyloxysilane with different alkyl-chain lengths followed by carbothermal reduction of the as-prepared alkyloxysilane precursors at 1350 °C. The resulting materials were investigated by X-ray diffraction, N2 adsorption-desorption, transmission electron microscopy, scanning electron microscopy, and X-ray photoelectron spectroscopy. A mechanism for the tailored synthesis of mesostructured SiC was tentatively proposed. To demonstrate the catalytic application of these materials, vanadia were loaded on the mesostructured SiC supports, and their catalytic performance in oxidative dehydrogenation of propane was evaluated. Vanadia supported on the mesostructured silicon carbide exhibits higher selectivity to propylene than those on conventional supports such as Al2O3 and SiO2 at the same propane conversion levels, mainly owing to its outstanding thermal conductivity which makes contributions to dissipate the heat generated from reaction thus alleviating the hot spots effect and over-oxidation of propylene. PMID:21739681

  12. Phase behavior and crystal structure of 3-(1-naphthyloxy)- and 3-(4-indolyloxy)-propane-1,2-diol, synthetic precursors of chiral drugs propranolol and pindolol

    NASA Astrophysics Data System (ADS)

    Bredikhin, Alexander A.; Gubaidullin, Aidar T.; Bredikhina, Zemfira A.; Fayzullin, Robert R.; Samigullina, Aida I.; Zakharychev, Dmitry V.

    2013-08-01

    Valuable precursors of popular chiral drugs propranolol and pindolol, 3-(1-naphthyloxy)-propane-1,2-diol 3 and 3-(4-indolyloxy)-propane-1,2-diol 4 were investigated by IR spectroscopy, DSC, and X-ray diffraction methods. Both compounds, crystallizing from enantiopure feed material, form "guaifenesin-like" crystal packing in which the classic H-bonded bilayers, framed in both sides by hydrophobic fragments of the molecules, acts as the basic crystal-forming motif. Diol 4 prone to spontaneous resolution and conserves its packing pattern crystallizing from racemate. Under the same conditions, diol 3 forms weakly stable solid racemic compound. Some reasons for such a behavior are identified and discussed.

  13. Photoluminescence behavior of europium (III) complexes containing 1-(4-tert-butylphenyl)-3-(2-naphthyl)-propane-1,3-dione ligand.

    PubMed

    Wang, Dunjia; Zheng, Chunyang; Fan, Ling; Hu, Yanjun; Zheng, Jing

    2014-01-01

    Three novel europium complexes with 1-(4-tert-butylphenyl)-3-(2-naphthyl)-propane-1,3-dione (TNPD) and 2,2-dipyridine (Bipy) or 1,10-phenan-throline (Phen) were synthesized and confirmed by FT-IR, (1)H NMR, UV-vis absorption and elemental analysis. Photoluminescence behavior of complexes Eu(TNPD)3, Eu(TNPD)3·Bipy and Eu(TNPD)3·Phen were investigated in detail. Their emission spectra exhibited the characteristic emission bands that arise from the (5)D0→(7)FJ (J=0-4) transitions of the europium ion in solid state. Meanwhile, the results of their lifetime decay curves indicated that only one chemical environment existed around the europium ion. The intrinsic luminescence quantum efficiency (η) and the experimental intensity parameters (Ωt) of europium complexes were determined according to the emission spectra and luminescence decay curves in solid state. The complex Eu(TNPD)3·Phen showed much longer lifetime (τ) and higher luminescence quantum efficiency (η) than complexes Eu(TNPD)3 and Eu(TNPD)3·Bipy.

  14. Inductively coupled plasma optical emission spectrometry for trace multi-element determination in vegetable oils, margarine and butter after stabilization with propan-1-ol and water

    NASA Astrophysics Data System (ADS)

    de Souza, Roseli M.; Mathias, Bárbara M.; da Silveira, Carmem Lúcia P.; Aucélio, Ricardo Q.

    2005-06-01

    The quantitative evaluation of trace elements in foodstuffs is of considerable interest due to the potential toxicity of many elements, and because the presence of some metallic species might affect the overall quality (flavor and stability) of these products. In the present work, an inductively coupled plasma optical emission spectrometric method has been developed for the determination of six elements (Cd, Co, Cr, Cu, Ni and Mn) in olive oil, soy oil, margarine and butter. Organic samples (oils and fats) were stabilized using propan-1-ol and water, which enabled long-time sample dispersion in the solution. This simple sample preparation procedure, together with an efficient sample introduction strategy (using a Meinhard K3 nebulizer and a twister cyclonic spray chamber), facilitated the overall analytical procedure, allowing quantification using calibration curves prepared with inorganic standards. Internal standardization (Sc) was used for correction of matrix effects and signal fluctuations. Good sensitivities with limits of detection in the ng g -1 range were achieved for all six elements. These sensitivities were appropriate for the intended application. The method was tested through the analysis of laboratory-fortified samples with good recoveries (between 91.3% and 105.5%).

  15. AlGaN/GaN high electron mobility transistors with intentionally doped GaN buffer using propane as carbon precursor

    NASA Astrophysics Data System (ADS)

    Bergsten, Johan; Li, Xun; Nilsson, Daniel; Danielsson, Örjan; Pedersen, Henrik; Janzén, Erik; Forsberg, Urban; Rorsman, Niklas

    2016-05-01

    AlGaN/GaN high electron mobility transistors (HEMTs) fabricated on a heterostructure grown by metalorganic chemical vapor deposition using an alternative method of carbon (C) doping the buffer are characterized. C-doping is achieved by using propane as precursor, as compared to tuning the growth process parameters to control C-incorporation from the gallium precursor. This approach allows for optimization of the GaN growth conditions without compromising material quality to achieve semi-insulating properties. The HEMTs are evaluated in terms of isolation and dispersion. Good isolation with OFF-state currents of 2 × 10-6 A/mm, breakdown fields of 70 V/µm, and low drain induced barrier lowering of 0.13 mV/V are found. Dispersive effects are examined using pulsed current-voltage measurements. Current collapse and knee walkout effects limit the maximum output power to 1.3 W/mm. With further optimization of the C-doping profile and GaN material quality this method should offer a versatile approach to decrease dispersive effects in GaN HEMTs.

  16. The effect of mixed HCl-KCl competitive adsorbate on Pt adsorption and catalytic properties of Pt-Sn/Al2O3 catalysts in propane dehydrogenation

    NASA Astrophysics Data System (ADS)

    Zangeneh, Farnaz Tahriri; Taeb, Abbas; Gholivand, Khodayar; Sahebdelfar, Saeed

    2015-12-01

    The effect of competitive adsorbate concentration and combination on the adsorption of H2PtCl6 onto γ-Al2O3 in the preparation and performance of PtSnK/γ-Al2O3 catalyst for propane dehydrogenation was investigated. The catalysts were prepared by sequential impregnation of Sn and Pt precursors. The effect of competitor concentration on Pt adsorption was studied by using hydrochloric acid (0.1-0.3 M) and the effect of pH was studied by using KCl/HCl mixtures at constant (0.1 M) total chloride ion concentration. The catalysts were characterized by nitrogen adsorption/desorption, XRD, XRF, SEM and CO chemisorption. The catalytic performance tests were carried out in a fixed-bed quartz reactor under kinetic controlled condition for proper catalyst screening. It was found that the corrosive competitor HCl could be partially substituted with KCl without appreciable impact on catalyst performance with the advantage of lower acid attack on the support and reduced leaching of the deposited tin. A model based on initial concentration and uptake of the adsorbates was developed to obtain the adsorption parameters. Values of 890 μmol/g and 600 lit/mol were obtained for adsorption site concentration of the tin-impregnated support and equilibrium constant for Pt adsorption, respectively, for HCl concentration range of 0.1-0.3 M.

  17. Infrared optical properties and AFM of spin-cast chitosan films chemically modified with 1,2 Epoxy-3-phenoxy-propane.

    PubMed

    Nosal, W H; Thompson, D W; Yan, L; Sarkar, S; Subramanian, A; Woollam, J A

    2005-11-25

    Chemical modification of spin-cast chitosan films has been performed. This modification involves the attachment of 1,2 Epoxy-3-phenoxy-propane, commonly known as glycidyl phenyl ether (GPE), to the amine group of the chitosan molecule. Optical properties of modified films have been determined in the infrared region of the spectrum using spectroscopic ellipsometry, and are reported in this paper. Special attention is paid to the infrared region where the index of refraction and extinction coefficients from 750 to 4000 cm(-1) were determined. Difference plots of IR optical data before and after chemical modification were generated to confirm that modification had occurred. Optical modeling of infrared spectroscopic ellipsometry (IRSE) data with respect to chemical bond vibrations has also been performed. This modeling involved curve fitting of resonant chemical bond absorptions using Lorentz oscillators. These oscillator models allow for comparison of modified chitosan to unmodified chitosan. The purpose of this research was to determine infrared optical constants of chemically modified chitosan films This work shows that surface chemistry of biomaterials can be studied quite sensitively with spectroscopy ellipsometry, detecting as little as 100 ng/cm(2) of GPE.

  18. A Novel Gas Sensor Based on MgSb2O6 Nanorods to Indicate Variations in Carbon Monoxide and Propane Concentrations.

    PubMed

    Guillén-Bonilla, Héctor; Flores-Martínez, Martín; Rodríguez-Betancourtt, Verónica-María; Guillen-Bonilla, Alex; Reyes-Gómez, Juan; Gildo-Ortiz, Lorenzo; de la Luz Olvera Amador, María; Santoyo-Salazar, Jaime

    2016-01-30

    Bystromite (MgSb2O6) nanorods were prepared using a colloidal method in the presence of ethylenediamine, after a calcination step at 800 °C in static air. From X-ray powder diffraction analyses, a trirutile-type structure with lattice parameters a = 4.64 Å and c = 9.25 Å and space group P4₂/mnm was identified. Using scanning electron microscopy (SEM), microrods with sizes from 0.2 to 1.6 μm were observed. Transmission electron microscopy (TEM) analyses revealed that the nanorods had a length of ~86 nm and a diameter ~23.8 nm. The gas-sensing properties of these nanostructures were tested using pellets elaborated with powders of the MgSb2O6 oxide (calcined at 800 °C) at temperatures 23, 150, 200, 250 and 300 °C. The pellets were exposed to different concentrations of carbon monoxide (CO) and propane (C3H8) at these temperatures. The results showed that the MgSb2O6 nanorods possess excellent stability and high sensitivity in these atmospheres.

  19. Effect of propane-2-sulfonic acid octadec-9-enyl-amide on the expression of adhesion molecules in human umbilical vein endothelial cells.

    PubMed

    Chen, Cai-Xia; Yang, Li-Chao; Xu, Xu-Dong; Wei, Xiao; Gai, Ya-Ting; Peng, Lu; Guo, Han; Hao-Zhou; Wang, Yi-Qing; Jin, Xin

    2015-06-01

    Oleoylethanolamide (OEA), an endogenous agonist of PPARα, has been reported to have anti-atherosclerotic properties. However, OEA can be enzymatically hydrolyzed to oleic acid and ethanolamine and, thus, is not expected to be orally active. In the present study, we designed and synthesized an OEA analog, propane-2-sulfonic acid octadec-9-enyl-amide (N15), which is resistant to enzymatic hydrolysis. The purpose of this study was to investigate the effects of N15 on the expression of adhesion molecules in human umbilical vein endothelial cells (HUVECs). The results showed that N15 inhibited TNFα-induced production of vascular cell adhesion molecule-1 and intercellular adhesion molecule-1 and the adhesion of monocytes to TNFα-induced HUVECs. Furthermore, the protective effect of N15 on inflammation is dependent upon a PPAR-α/γ-mediated mechanism. In conclusion, N15 protects against TNFα-induced vascular endothelial inflammation. This anti-inflammatory effect of N15 is dependent on PPAR-α/γ dual targets.

  20. Gas-Sensing Performance of M-Doped CuO-Based Thin Films Working at Different Temperatures upon Exposure to Propane.

    PubMed

    Rydosz, Artur; Szkudlarek, Aleksandra

    2015-01-01

    Cupric oxide (CuO) thin films are promising materials in gas sensor applications. The CuO-based gas sensors behaved as p-type semiconductors and can be used as part of an e-nose or smart sensor array for breath analysis. The authors present the investigation results on M-doped CuO-based (M = Ag, Au, Cr, Pd, Pt, Sb, Si) sensors working at various temperatures upon exposure to a low concentration of C3H8, which can be found in exhaled human breath, and it can be considered as a one of the biomarkers of several diseases. The films have been deposited in magnetron sputtering technology on low temperature cofired ceramics substrates. The results of the gas sensors' response are also presented and discussed. The Cr:CuO-based structure, annealed at 400 °C for 4 h in air, showed the highest sensor response, of the order of 2.7 at an operation temperature of 250 °C. The response and recovery time(s) were 10 s and 24 s, respectively. The results show that the addition of M-dopants in the cupric oxide films effectively act as catalysts in propane sensors and improve the gas sensing properties. The films' phase composition, microstructure and surface topography have been assessed by the X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDX) methods. PMID:26287204

  1. Effects of soot absorption coefficient-Planck function correlation on radiative heat transfer in oxygen-enriched propane turbulent diffusion flame

    NASA Astrophysics Data System (ADS)

    Consalvi, J. L.; Nmira, F.

    2016-03-01

    The main objective of this article is to quantify the influence of the soot absorption coefficient-Planck function correlation on radiative loss and flame structure in an oxygen-enhanced propane turbulent diffusion flame. Calculations were run with and without accounting for this correlation by using a standard k-ε model and the steady laminar flamelet model (SLF) coupled to a joint Probability Density Function (PDF) of mixture fraction, enthalpy defect, scalar dissipation rate, and soot quantities. The PDF transport equation is solved by using a Stochastic Eulerian Field (SEF) method. The modeling of soot production is carried out by using a flamelet-based semi-empirical acetylene/benzene soot model. Radiative heat transfer is modeled by using a wide band correlated-k model and turbulent radiation interactions (TRI) are accounted for by using the Optically-Thin Fluctuation Approximation (OTFA). Predicted soot volume fraction, radiant wall heat flux distribution and radiant fraction are in good agreement with the available experimental data. Model results show that soot absorption coefficient and Planck function are negatively correlated in the region of intense soot emission. Neglecting this correlation is found to increase significantly the radiative loss leading to a substantial impact on flame structure in terms of mean and rms values of temperature. In addition mean and rms values of soot volume fraction are found to be less sensitive to the correlation than temperature since soot formation occurs mainly in a region where its influence is low.

  2. Flame quenching by a variable-width rectangular-slot burner as a function of pressure for various propane-oxygen-nitrogen mixtures

    NASA Technical Reports Server (NTRS)

    Berlad, Abraham L

    1954-01-01

    Flame quenching by a variable-width rectangular-slot burner as a function of pressure for various propane-oxygen-nitrogen mixtures was investigated. It was found that for cold gas temperatures of 27 degrees C, pressures of 0.1 ro 1.0 atmosphere, and volumetric oxygen reactions of the oxidant of 0.17, 0.21, 0.30, 0.50, and 0.70, the relation between pressure p and quenching distance d is approximately given by d (unity) p (superscript -r) with r = 1, for equivalence ratios approximately equal to one. The quenching equation of Simon and Belles was tested. For equivalence ratios less than or equal to unity, this equation may by used, together with one empirical constant, to predict the observed quenching distance within 4.2 percent. The equation in it's present form does not appear to be suitable for values of the equivalence ratio greater than unity. A quantitative theoretical investigation has also been made of the error implicit in the assumption that flame quenching by plane parallel plates of infinite extent is equivalent to that of a rectangular burner. A curve is presented which relates the magnitude of this error to the length-to-width ratio of the rectangular burner.

  3. Efficiency gain of solid oxide fuel cell systems by using anode offgas recycle - Results for a small scale propane driven unit

    NASA Astrophysics Data System (ADS)

    Dietrich, Ralph-Uwe; Oelze, Jana; Lindermeir, Andreas; Spitta, Christian; Steffen, Michael; Küster, Torben; Chen, Shaofei; Schlitzberger, Christian; Leithner, Reinhard

    The transfer of high electrical efficiencies of solid oxide fuel cells (SOFC) into praxis requires appropriate system concepts. One option is the anode-offgas recycling (AOGR) approach, which is based on the integration of waste heat using the principle of a chemical heat pump. The AOGR concept allows a combined steam- and dry-reforming of hydrocarbon fuel using the fuel cell products steam and carbon dioxide. SOFC fuel gas of higher quantity and quality results. In combination with internal reuse of waste heat the system efficiency increases compared to the usual path of partial oxidation (POX). The demonstration of the AOGR concept with a 300 Wel-SOFC stack running on propane required: a combined reformer/burner-reactor operating in POX (start-up) and AOGR modus; a hotgas-injector for anode-offgas recycling to the reformer; a dynamic process model; a multi-variable process controller; full system operation for experimental proof of the efficiency gain. Experimental results proof an efficiency gain of 18 percentage points (η·POX = 23%, η·AOGR = 41%) under idealized lab conditions. Nevertheless, further improvements of injector performance, stack fuel utilization and additional reduction of reformer reformer O/C ratio and system pressure drop are required to bring this approach into self-sustaining operation.

  4. Phenylmercury and its mobilization in the organism by a metal complex-forming substance: 2,3-dimercapto-1-propane sodium sulfonate.

    PubMed

    Gombos, B; Merva, M; Sekula, F; Koci, M

    1996-01-01

    Workers handling dressing machines for seed treatment with the product Agronal, containing a phenylmercury chloride fungicide, were exposed to high concentrations of phenylmercury dust in the working environment. Urine analyses for mercury result in concentration of up to 0.1 mg Hg/l of urine. After administration of a complex-forming substance-Unitol (2,3-dimercapto-1-propane sodium sulfonate)-a higher urinary excretion of mercury occurred. The amount of mercury excreted confirmed its deposit in the organism. It was speculated that subjective complaints by workers handling dressing machines could be caused by high exposure to phenylmercury. This suggestion cannot, however, be fully accepted because the complaints were not necessarily specific for mercury only, but could also have been caused by factors of nontoxic origin, such as stress at the workplace, discontent with work and environmental hygiene conditions, conflicts and alcoholism. Most probably, it was a case of interpotentiation of the effects of toxic and non-toxic nature. PMID:8956542

  5. Beneficial effect of propane sultone and tris(trimethylsilyl) borate as electrolyte additives on the cycling stability of the lithium rich nickel manganese cobalt (NMC) oxide

    NASA Astrophysics Data System (ADS)

    Birrozzi, Agnese; Laszczynski, Nina; Hekmatfar, Maral; von Zamory, Jan; Giffin, Guinevere A.; Passerini, Stefano

    2016-09-01

    This study reports the investigation of several compounds as electrolyte additives for Li[Li0.2Mn0.56 Ni0.16 Co0.08]O2 (a.k.a lithium rich NMC) cathode material. Among the compounds investigated via electrochemical and ex-situ analytical techniques, i.e. XRD, XPS and RAMAN spectroscopy, only 1,3-propane sultone and tris(trimethylsilyl) borate show a beneficial effect on the capacity retention and coulombic efficiency of the layered cathode. The results suggest that the improved capacity retention of the cells containing the two above-mentioned additives mainly originates from their participation in the formation of the cathode passive layer, which prevents the dissolution of the metals from the cathode material. Additionally, the borate additive reduces the lithium consumption upon the passive layer formation thus leaving a higher amount of lithium available in the electrolyte. Graphite/Li[Li0.2Mn0.56 Ni0.16 Co0.08]O2 cells containing the borate additive in the electrolyte showed 85% capacity retention after 485 cycles, confirming the feasibility of its employment for practical applications.

  6. Brillouin spectroscopy studies of two-component polymerizable liquid system: 2,2-Bis[4-(2-hydroxymethacryloxypropoxy)phenyl]propane/benzyl methacrylate

    NASA Astrophysics Data System (ADS)

    Łapsa, K.; Marcinkowska, A.; Andrzejewska, E.; Drozdowski, M.

    2011-08-01

    Brillouin spectroscopy was used to investigate viscoelastic properties of a two-component system consisting of a high viscosity liquid (HVL) and a low viscosity liquid (LVL), both able to polymerize. The model liquids were: 2,2-bis[4-(2-hydroxymethacryloxypropoxy)phenyl]propane (abbreviated as bis-GMA, HVL) and benzyl methacrylate (BzMA, LVL). The viscosity of the system was regulated by changing the monomer ratio. Hypersonic velocity and attenuation coefficient were investigated in a temperature range covering viscoelastic relaxation process. The dependence of the longitudinal viscosity on the system composition was determined. Additionally, the Brillouin studies were accompanied by some supplementary experimental methods, like low frequency shear viscosity measurements and observations of phase transitions by differential scanning calorimetry (DSC). The investigated monomer mixtures were then polymerized in a light-induced process and the polymerization kinetic curves were measured to find the possible correlation between the viscoelastic properties of the monomer mixture (as observed by Brillouin spectroscopy) and the polymerization course.

  7. Generation of a structurally diverse library through alkylation and ring closure reactions using 3-dimethylamino-1-(thiophen-2-yl)propan-1-one hydrochloride.

    PubMed

    Roman, Gheorghe

    2013-01-01

    3-Dimethylamino-1-(thiophen-2-yl)propan-1-one hydrochloride (2), a ketonic Mannich base derived from 2-acetylthiophene, was used as a starting material in different types of alkylation and ring closure reactions with a view to generate a structurally diverse library of compounds. Compound 2 reacts with S-alkylated dithiocarbamic acid salts and aryl mercaptans to produce dithiocarbamates and thioethers, respectively. The dimethylamino moiety in compound 2 was exchanged with various aliphatic secondary and aromatic primary and secondary amines, whereas monocyclic NH-azoles such as pyrazole, imidazole, 1,2,4-triazole, and tetrazole were N-alkylated by compound 2. Ketones, pyrrole and indoles have been the substrates subjected to C-alkylation reactions by compound 2. Ring closure reactions of compound 2 with a suitable bifunctional nucleophile yielded pyrazolines, pyridines, 2,3-dihydro-1,5-1H-benzodiazepines, 2,3-dihydro-1,5-1H-benzothiazepine, pyrimido[1,2-a]benzimidazole and 4-hydroxypiperidine derivatives.

  8. Bis[O-propan-2-yl (4-eth-oxy-phen-yl)dithio-phospho-nato-κ(2) S,S']nickel(II).

    PubMed

    Sewpersad, Shirveen; Van Zyl, Werner E

    2012-12-01

    The title compound, [Ni(C11H16O2PS2)2], is a neutral four-coordinate mononuclear complex with a square-planar geometry. The complex lies on an inversion center. The metal atom is surrounded by two chelating isobidentate O-propan-2-yl (4-eth-oxy-phen-yl)dithio-phospho-nate ligands in a trans configuration binding through the S-donor atoms. The Ni-S bond lengths are 2.2328 (5) and 2.2369 (5) Å, an insignificant difference to be considered anisobidentate. The Ni⋯P separation is 2.8224 (5) Å and the S-P bond lengths are 2.0035 (7) and 2.0053 (7) Å. The S-Ni-S (chelating) and S-Ni-S (trans) bond angles are 88.321 (18) and 180°. The Ni-S-P bond angles are 83.26 (2) and 83.33 (2)°, indicating a very minor distortion from ideal square-planar geometry for the Ni atom. The P atom, however, is distorted quite significantly from an ideal tetra-hedral geometry, as reflected by the S-P-S and O-P-C bond angles of 101.93 (3) and 100.70 (7)°, respectively. PMID:23468684

  9. Generation of a structurally diverse library through alkylation and ring closure reactions using 3-dimethylamino-1-(thiophen-2-yl)propan-1-one hydrochloride.

    PubMed

    Roman, Gheorghe

    2013-01-01

    3-Dimethylamino-1-(thiophen-2-yl)propan-1-one hydrochloride (2), a ketonic Mannich base derived from 2-acetylthiophene, was used as a starting material in different types of alkylation and ring closure reactions with a view to generate a structurally diverse library of compounds. Compound 2 reacts with S-alkylated dithiocarbamic acid salts and aryl mercaptans to produce dithiocarbamates and thioethers, respectively. The dimethylamino moiety in compound 2 was exchanged with various aliphatic secondary and aromatic primary and secondary amines, whereas monocyclic NH-azoles such as pyrazole, imidazole, 1,2,4-triazole, and tetrazole were N-alkylated by compound 2. Ketones, pyrrole and indoles have been the substrates subjected to C-alkylation reactions by compound 2. Ring closure reactions of compound 2 with a suitable bifunctional nucleophile yielded pyrazolines, pyridines, 2,3-dihydro-1,5-1H-benzodiazepines, 2,3-dihydro-1,5-1H-benzothiazepine, pyrimido[1,2-a]benzimidazole and 4-hydroxypiperidine derivatives. PMID:23841334

  10. A Novel Gas Sensor Based on MgSb2O6 Nanorods to Indicate Variations in Carbon Monoxide and Propane Concentrations

    PubMed Central

    Guillén-Bonilla, Héctor; Flores-Martínez, Martín; Rodríguez-Betancourtt, Verónica-María; Guillen-Bonilla, Alex; Reyes-Gómez, Juan; Gildo-Ortiz, Lorenzo; de la Luz Olvera Amador, María; Santoyo-Salazar, Jaime

    2016-01-01

    Bystromite (MgSb2O6) nanorods were prepared using a colloidal method in the presence of ethylenediamine, after a calcination step at 800 °C in static air. From X-ray powder diffraction analyses, a trirutile-type structure with lattice parameters a = 4.64 Å and c = 9.25 Å and space group P42/mnm was identified. Using scanning electron microscopy (SEM), microrods with sizes from 0.2 to 1.6 μm were observed. Transmission electron microscopy (TEM) analyses revealed that the nanorods had a length of ~86 nm and a diameter ~23.8 nm. The gas-sensing properties of these nanostructures were tested using pellets elaborated with powders of the MgSb2O6 oxide (calcined at 800 °C) at temperatures 23, 150, 200, 250 and 300 °C. The pellets were exposed to different concentrations of carbon monoxide (CO) and propane (C3H8) at these temperatures. The results showed that the MgSb2O6 nanorods possess excellent stability and high sensitivity in these atmospheres. PMID:26840318

  11. Synthesis and properties of cellulose functionalized -4, 4'-(propane-2, 2'-diyl) diphenol-SiO2/TiO2 hybrid nanocomposites materials for high performance applications

    NASA Astrophysics Data System (ADS)

    Ramesh, Sivalingam; Kim, Gwang-Hoon; Kim, Heung-Soo; Kim, Jaehwan; Kim, Joo-Hyung

    2013-04-01

    The general class of organic-inorganic hybrid nanocomposites materials is a fast growing area of research. The significant effort is focused on the ability to control the nanoscale structures via organic functional synthetic approaches with inorganic metal oxides. The properties of nanocomposites material depends on the properties of their individual components but also their morphological and interfacial characteristics. This rapidly expanding field is generating many exciting new materials with novel properties. Mainly, cellulose is considered as the richest renewable materials are presently among the most promising candidates for use in photonics due to their versatility, flexibility, light weight, low cost and ease of modification. Cellulose-metal oxide nanomaterials were developed the technologies to manipulate selfassembly and multifunctionallity, of new technologies to the point where industry can produce advanced and costcompetitive cellulose metal oxide hybrid materials. Therefore, the present study is focused on cellulose-functionalized - 4, 4'-(propane-2, 2'-diyl) diphenol-SiO2/TiO2 hybrid nano-composites materials by in-situ sol-gel process. The chemical and morphological properties of cellulose-functionalized SiO2/TiO2 materials via covalent crosslinking hybrids were characterized by FTIR, XRD, TGA, DSC, SEM, TEM and optical properties.

  12. First High Resolution Analysis of the ν21 Band of Propane at 921.4 wn: Evidence of Large-Amplitude Tunnelling Effects

    NASA Astrophysics Data System (ADS)

    Perrin, Agnes; Kwabia Tchana, F.; Flaud, Jean-Marie; Manceron, Laurent; Demaison, Jean; Vogt, Natalja; Groner, Peter; Lafferty, Walter

    2015-06-01

    A high resolution (0.0015 wn) IR spectrum of propane, C_3H_8, has been recorded with synchrotron radiation at the French light source facility at SOLEIL coupled to a Bruker IFS-125 Fourier transform spectrometer. A preliminary analysis of the ν21 fundamental band (B1, CH3 rock) near 921.4 wn reveals that the rotational energy levels of 211 are split by interactions with the internal rotations of the methyl groups. Conventional analysis of this A-type band yielded band centers at 921.3724(38), 921.3821(33) and 921.3913(44) wn for the AA, EE and AE+EA tunneling splitting components, respectively. These torsional splittings most probably are due to anharmonic and/or Coriolis resonance coupling with nearby highly excited states of both internal rotations of the methyl groups. In addition, several vibrational-rotational resonances were observed that affect the torsional components in different ways. The analysis of the B-type band near 870 wn (ν8, sym. C-C stretch) which also contains split rovibrational transitions due to internal rotation is in progress. It is performed by using the effective rotational Hamiltonian method ERHAM with a code that allows prediction and least-squares fitting of such vibration-rotation spectra. A. Perrin et al., submitted to J. Mol. Spectrosc. P. Groner, J. Chem. Phys. 107 (1997) 4483; J. Mol. Spectrosc. 278 (2012) 52.

  13. Simultaneous particle image velocimetry and chemiluminescence visualization of millisecond-pulsed current-voltage-induced perturbations of a premixed propane/air flame

    NASA Astrophysics Data System (ADS)

    Schmidt, Jacob; Kostka, Stanislav; Lynch, Amy; Ganguly, Biswa

    2011-09-01

    The effects of millisecond-wide, pulsed current-voltage-induced behavior in premixed laminar flames have been investigated through the simultaneous collection of particle image velocimetry (PIV) and chemiluminescence data with particular attention paid to the onset mechanisms. Disturbances caused by applied voltages of 2 kV over a 30-mm gap to a downward propagating, atmospheric pressure, premixed propane/air flame with a flow speed near 2 m/s and an equivalence ratio of 1.06 are investigated. The combined PIV and chemiluminescence-based experimental data show the observed disturbance originates only in or near the cathode fall region very close to the burner base. The data also suggest that the coupling mechanism responsible for the flame disturbance behavior is fluidic in nature, developing from the radial positive chemi-ion distribution and an ion-drift current-induced net body force that acts along the annular space discharge distribution in the reaction zone in or near the cathode fall. This net body force causes a reduction in flow speed above these near cathodic regions causing the base of the flame to laterally spread. Also, this effect seems to produce a velocity gradient leading to the transition of a laminar flame to turbulent combustion for higher applied current-voltage conditions as shown in previous work (Marcum and Ganguly in Combust Flame 143:27-36, 2005; Schmidt and Ganguly in 48th AIAA aerospace sciences meeting. Orlando, 2010).

  14. Operation of a Four-Cylinder 1.9L Propane Fueled Homogeneous Charge Compression Ignition Engine: Basic Operating Characteristics and Cylinder-to-Cylinder Effects

    SciTech Connect

    Flowers, D; Aceves, S M; Martinez-Frias, J; Smith, J R; Au, M; Girard, J; Dibble, R

    2001-03-12

    A four-cylinder 1.9 Volkswagen TDI Engine has been converted to run in Homogeneous Charge Compression Ignition (HCCI) mode. The stock configuration is a turbocharged direct injection Diesel engine. The combustion chamber has been modified by discarding the in-cylinder Diesel fuel injectors and replacing them with blank inserts (which contain pressure transducers). The stock pistons contain a reentrant bowl and have been retained for the tests reported here. The intake and exhaust manifolds have also been retained, but the turbocharger has been removed. A heater has been installed upstream of the intake manifold and fuel is added just downstream of this heater. The performance of this engine in naturally aspirated HCCI operation, subject to variable intake temperature and fuel flow rate, has been studied. The engine has been run with propane fuel at a constant speed of 1800 rpm. This work is intended to characterize the HCCI operation of the engine in this configuration that has been minimally modified from the base Diesel engine. The performance (BMEP, IMEP, efficiency, etc) and emissions (THC, CO, NOx) of the engine are presented, as are combustion process results based on heat release analysis of the pressure traces from each cylinder.

  15. Position-specific and clumped stable isotope studies: comparison of the Urey and path-integral approaches for carbon dioxide, nitrous oxide, methane, and propane.

    PubMed

    Webb, Michael A; Miller, Thomas F

    2014-01-16

    We combine path-integral Monte Carlo methods with high-quality potential energy surfaces to compute equilibrium isotope effects in a variety of systems relevant to 'clumped' isotope analysis and isotope geochemistry, including CO2, N2O, methane, and propane. Through a systematic study of heavy-atom isotope-exchange reactions, we quantify and analyze errors that arise in the widely used Urey model for predicting equilibrium constants of isotope-exchange reactions using reduced partition function ratios. These results illustrate that the Urey model relies on a nontrivial cancellation of errors that can shift the apparent equilibrium temperature by as much as 35 K for a given distribution of isotopologues. The calculations reported here provide the same level of precision as the best existing analytical instrumentation, resolving the relative enrichment of certain isotopologues to as little as 0.01‰. These findings demonstrate path-integral methods to be a rigorous and viable alternative to more approximate methods for heavy-atom geochemical applications.

  16. In vitro and in vivo antiherpetic effects of (1R,2R)-1-(5'-methylful-3'-yl)propane-1,2,3-triol.

    PubMed

    Sasaki, Kohei; Hayashi, Kyoko; Matsuya, Yuji; Sugimoto, Kenji; Lee, Jung-Bum; Kurosaki, Fumiya; Hayashi, Toshimitsu

    2016-04-01

    In this study, we demonstrated the in vitro and in vivo antiherpetic activities of a stable furan derivative, (1R,2R)-1-(5'-methylful-3'-yl)propane-1,2,3-triol (MFPT), which had originally been isolated from Streptomyces sp. strain FV60. In the present study, we synthesized MFPT from (5-methylfuran-3-yl)methanol in 6 steps for use in the experiments. MFPT showed potent in vitro antiviral activities against two acyclovir (ACV)-sensitive (KOS and HF) strains and an ACV-resistant (A4-3) strain of herpes simplex virus type 1 (HSV-1) and an ACV-sensitive HSV type 2 (HSV-2) UW 268 strain, their selectivity indices ranging from 310 to 530. By intravaginal application of MFPT to mice, the virus yields decreased dose-dependently against the three strains of HSV-1 and HSV-2. When MFPT was applied at a dose of 1.0 mg/day, the lesion scores, as clinical signs manifested by viral infection, were extensively suppressed in HSV-1-infected mice, whereas the lesion scores in HSV-2-infected mice were not markedly decreased. Interestingly, MFPT exerted an inhibitory effect against ACV-resistant HSV-1 in mice to a similar degree as in ACV-sensitive HSV-1-infected mice. Therefore, the compound might have potential for developing a topical antiviral agent that could be also applied to the infections caused by ACV-resistant viruses. PMID:26763002

  17. The mechanical properties of the ultra high molecular weight polyethylene grafted with 3-dimethy (3-(N-methacryamido) propyl) ammonium propane sulfonate.

    PubMed

    Deng, Yaling; Xiong, Dangsheng; Wang, Kun

    2014-07-01

    Ultra-high molecular weight polyethylene (UHMWPE) powder was modified with a zwitterion monomer with good biocompatibility of MPDSAH (3-dimethy (3-(N-methacryamido) propyl) ammonium propane sulfonate) by UV irradiation and then hot pressed. The microstructure and mechanical properties of modified UHMWPE are investigated. The results show that the structure of powder and bulk materials has been changed. The modified powders have more filaments than that of untreated. The surface of modified bulk materials is more rough and displays the granular protuberances which have the random loose arrangement compared with untreated UHMWPE. The crystallinity, uniaxial tensile and compressive properties decreased after grafting. Ultimate elongations decrease with the increase of the monomer concentration and are higher than 300% which is recommended by ASTM and ISO except the sample with 0.45mol/L MPDSAH. The friction coefficient of modified UHMWPE is lower than that of the untreated UHMWPE and it decreases gradually with the increase of monomer concentration. The wear rates have been decreased and the wear resistance has been improved under saline and distilled water lubrication.

  18. Gas-Sensing Performance of M-Doped CuO-Based Thin Films Working at Different Temperatures upon Exposure to Propane

    PubMed Central

    Rydosz, Artur; Szkudlarek, Aleksandra

    2015-01-01

    Cupric oxide (CuO) thin films are promising materials in gas sensor applications. The CuO-based gas sensors behaved as p-type semiconductors and can be used as part of an e-nose or smart sensor array for breath analysis. The authors present the investigation results on M-doped CuO-based (M = Ag, Au, Cr, Pd, Pt, Sb, Si) sensors working at various temperatures upon exposure to a low concentration of C3H8, which can be found in exhaled human breath, and it can be considered as a one of the biomarkers of several diseases. The films have been deposited in magnetron sputtering technology on low temperature cofired ceramics substrates. The results of the gas sensors’ response are also presented and discussed. The Cr:CuO-based structure, annealed at 400 °C for 4 h in air, showed the highest sensor response, of the order of 2.7 at an operation temperature of 250 °C. The response and recovery time(s) were 10 s and 24 s, respectively. The results show that the addition of M-dopants in the cupric oxide films effectively act as catalysts in propane sensors and improve the gas sensing properties. The films’ phase composition, microstructure and surface topography have been assessed by the X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDX) methods. PMID:26287204

  19. In vitro and in vivo antiherpetic effects of (1R,2R)-1-(5'-methylful-3'-yl)propane-1,2,3-triol.

    PubMed

    Sasaki, Kohei; Hayashi, Kyoko; Matsuya, Yuji; Sugimoto, Kenji; Lee, Jung-Bum; Kurosaki, Fumiya; Hayashi, Toshimitsu

    2016-04-01

    In this study, we demonstrated the in vitro and in vivo antiherpetic activities of a stable furan derivative, (1R,2R)-1-(5'-methylful-3'-yl)propane-1,2,3-triol (MFPT), which had originally been isolated from Streptomyces sp. strain FV60. In the present study, we synthesized MFPT from (5-methylfuran-3-yl)methanol in 6 steps for use in the experiments. MFPT showed potent in vitro antiviral activities against two acyclovir (ACV)-sensitive (KOS and HF) strains and an ACV-resistant (A4-3) strain of herpes simplex virus type 1 (HSV-1) and an ACV-sensitive HSV type 2 (HSV-2) UW 268 strain, their selectivity indices ranging from 310 to 530. By intravaginal application of MFPT to mice, the virus yields decreased dose-dependently against the three strains of HSV-1 and HSV-2. When MFPT was applied at a dose of 1.0 mg/day, the lesion scores, as clinical signs manifested by viral infection, were extensively suppressed in HSV-1-infected mice, whereas the lesion scores in HSV-2-infected mice were not markedly decreased. Interestingly, MFPT exerted an inhibitory effect against ACV-resistant HSV-1 in mice to a similar degree as in ACV-sensitive HSV-1-infected mice. Therefore, the compound might have potential for developing a topical antiviral agent that could be also applied to the infections caused by ACV-resistant viruses.

  20. Polyacrylamido-2-methyl-1-propane sulfonic acid-grafted-natural rubber as bio-adsorbent for heavy metal removal from aqueous standard solution and industrial wastewater.

    PubMed

    Phetphaisit, Chor Wayakron; Yuanyang, Siriwan; Chaiyasith, Wipharat Chuachuad

    2016-01-15

    Bio-adsorbent modified natural rubber (modified NR) was prepared, by placing the sulfonic acid functional group on the isoprene chain. This modification was carried out with the aim to prepare material capable to remove heavy metals from aqueous solution. The structures of modified NR materials were characterized by FT-IR and NMR spectroscopies. Thermal gravimetric analysis of modified NR showed that the initial degradation temperature of rubber decreases with increasing amount of polyacrylamido-2-methyl-1-propane sulfonic acid (PAMPS) in the structure. In addition, water uptake of the rubber based materials was studied as a function of time and content of PAMPS. The influence of the amount of PAMPS grafted onto NR, time, pH, concentration of metal ions, temperature, and regeneration were studied in terms of their influence on the adsorption of heavy metals (Pb(2+), Cd(2+) and Cu(2+)). The adsorption isotherms of Pb(2+) and Cd(2+) were fitted to the Freundlich isotherm model, while Cu(2+) was fitted to the Langmuir isotherm. However, the results from these two isotherms resulted in a similar behavior. The adsorption capacity of the modified NR for the various heavy metals was in the following order: Pb(2+)∼Cd(2+)>Cu(2+). The maximum adsorption capacities of Pb(2+), Cd(2+), and Cu(2+) were 272.7, 267.2, and 89.7 mg/g of modified rubber, respectively. Moreover, the modified natural rubber was used for the removal of metal ions in real samples of industrial effluents where the efficiency and regeneration were also investigated.

  1. Polyacrylamido-2-methyl-1-propane sulfonic acid-grafted-natural rubber as bio-adsorbent for heavy metal removal from aqueous standard solution and industrial wastewater.

    PubMed

    Phetphaisit, Chor Wayakron; Yuanyang, Siriwan; Chaiyasith, Wipharat Chuachuad

    2016-01-15

    Bio-adsorbent modified natural rubber (modified NR) was prepared, by placing the sulfonic acid functional group on the isoprene chain. This modification was carried out with the aim to prepare material capable to remove heavy metals from aqueous solution. The structures of modified NR materials were characterized by FT-IR and NMR spectroscopies. Thermal gravimetric analysis of modified NR showed that the initial degradation temperature of rubber decreases with increasing amount of polyacrylamido-2-methyl-1-propane sulfonic acid (PAMPS) in the structure. In addition, water uptake of the rubber based materials was studied as a function of time and content of PAMPS. The influence of the amount of PAMPS grafted onto NR, time, pH, concentration of metal ions, temperature, and regeneration were studied in terms of their influence on the adsorption of heavy metals (Pb(2+), Cd(2+) and Cu(2+)). The adsorption isotherms of Pb(2+) and Cd(2+) were fitted to the Freundlich isotherm model, while Cu(2+) was fitted to the Langmuir isotherm. However, the results from these two isotherms resulted in a similar behavior. The adsorption capacity of the modified NR for the various heavy metals was in the following order: Pb(2+)∼Cd(2+)>Cu(2+). The maximum adsorption capacities of Pb(2+), Cd(2+), and Cu(2+) were 272.7, 267.2, and 89.7 mg/g of modified rubber, respectively. Moreover, the modified natural rubber was used for the removal of metal ions in real samples of industrial effluents where the efficiency and regeneration were also investigated. PMID:26348149

  2. The effects of a garlic oil chemical compound, propyl-propane thiosulfonate, on ruminal fermentation and fatty acid outflow in a dual-flow continuous culture system.

    PubMed

    Foskolos, A; Siurana, A; Rodriquez-Prado, M; Ferret, A; Bravo, D; Calsamiglia, S

    2015-08-01

    The ban on the use of antibiotics as growth promoters in animal feeds in the European Union has stimulated research on potential alternatives. Recently, propyl-propane thiosulfonate (PTSO), a stable organosulfurate compound of garlic, was purified. The objectives of the current study were to investigate the potential effects of PTSO on rumen microbial fermentation and to define effective doses. Two experiments were conducted using dual-flow continuous culture fermenters in 2 replicated periods. Each experimental period consisted of 5 d for adaptation of the ruminal fluid and 3 d for sampling. Temperature (39°C), pH (6.4), and liquid (0.10 h(-1)) and solid (0.05 h(-1)) dilution rates were maintained constant. Samples were taken 2 h after feeding and from the 24-h effluent. Samples were analyzed for volatile fatty acids (VFA) and nitrogen fractions, and degradation of nutrients was calculated. In addition, 24-h effluents from experiment 2 were analyzed for their fatty acid (FA) profile. Treatments in experiment 1 included a negative control without additive, a positive control with monensin (12mg/L), and PTSO at 30 and 300mg/L. The addition of 30mg/L did not affect any of the measurements tested. The addition of 300mg/L reduced microbial fermentation, as suggested by the decreased total VFA concentration, true degradation of organic matter and acid detergent fiber, and a tendency to decrease neutral detergent fiber degradation. Experiment 2 was conducted to test increasing doses of PTSO (0, 50, 100, and 150mg/L) on rumen microbial fermentation. At 2 h postfeeding, total VFA and molar proportion of propionate responded quadratically, with higher values in the intermediate doses. Molar proportions of butyrate increased and branched-chain VFA decreased linearly as the dose of PTSO increased. In the 24-h effluents, total VFA, acetate, and branched-chain VFA concentrations decreased linearly and those of propionate responded cubically with the highest value at 100mg

  3. Development of a pre-concentration system and auto-analyzer for dissolved methane, ethane, propane, and butane concentration measurements with a GC-FID

    NASA Astrophysics Data System (ADS)

    Chepigin, A.; Leonte, M.; Colombo, F.; Kessler, J. D.

    2014-12-01

    Dissolved methane, ethane, propane, and butane concentrations in natural waters are traditionally measured using a headspace equilibration technique and gas chromatograph with flame ionization detector (GC-FID). While a relatively simple technique, headspace equilibration suffers from slow equilibration times and loss of sensitivity due to concentration dilution with the pure gas headspace. Here we present a newly developed pre-concentration system and auto-analyzer for use with a GC-FID. This system decreases the time required for each analysis by eliminating the headspace equilibration time, increases the sensitivity and precision with a rapid pre-concentration step, and minimized operator time with an autoanalyzer. In this method, samples are collected from Niskin bottles in newly developed 1 L plastic sample bags rather than glass vials. Immediately following sample collection, the sample bags are placed in an incubator and individually connected to a multiport sampling valve. Water is pumped automatically from the desired sample bag through a small (6.5 mL) Liqui-Cel® membrane contactor where the dissolved gas is vacuum extracted and directly flushed into the GC sample loop. The gases of interest are preferentially extracted with the Liqui-Cel and thus a natural pre-concentration effect is obtained. Daily method calibration is achieved in the field with a five-point calibration curve that is created by analyzing gas standard-spiked water stored in 5 L gas-impermeable bags. Our system has been shown to substantially pre-concentrate the dissolved gases of interest and produce a highly linear response of peak areas to dissolved gas concentration. The system retains the high accuracy, precision, and wide range of measurable concentrations of the headspace equilibration method while simultaneously increasing the sensitivity due to the pre-concentration step. The time and labor involved in the headspace equilibration method is eliminated and replaced with the

  4. The effects of a garlic oil chemical compound, propyl-propane thiosulfonate, on ruminal fermentation and fatty acid outflow in a dual-flow continuous culture system.

    PubMed

    Foskolos, A; Siurana, A; Rodriquez-Prado, M; Ferret, A; Bravo, D; Calsamiglia, S

    2015-08-01

    The ban on the use of antibiotics as growth promoters in animal feeds in the European Union has stimulated research on potential alternatives. Recently, propyl-propane thiosulfonate (PTSO), a stable organosulfurate compound of garlic, was purified. The objectives of the current study were to investigate the potential effects of PTSO on rumen microbial fermentation and to define effective doses. Two experiments were conducted using dual-flow continuous culture fermenters in 2 replicated periods. Each experimental period consisted of 5 d for adaptation of the ruminal fluid and 3 d for sampling. Temperature (39°C), pH (6.4), and liquid (0.10 h(-1)) and solid (0.05 h(-1)) dilution rates were maintained constant. Samples were taken 2 h after feeding and from the 24-h effluent. Samples were analyzed for volatile fatty acids (VFA) and nitrogen fractions, and degradation of nutrients was calculated. In addition, 24-h effluents from experiment 2 were analyzed for their fatty acid (FA) profile. Treatments in experiment 1 included a negative control without additive, a positive control with monensin (12mg/L), and PTSO at 30 and 300mg/L. The addition of 30mg/L did not affect any of the measurements tested. The addition of 300mg/L reduced microbial fermentation, as suggested by the decreased total VFA concentration, true degradation of organic matter and acid detergent fiber, and a tendency to decrease neutral detergent fiber degradation. Experiment 2 was conducted to test increasing doses of PTSO (0, 50, 100, and 150mg/L) on rumen microbial fermentation. At 2 h postfeeding, total VFA and molar proportion of propionate responded quadratically, with higher values in the intermediate doses. Molar proportions of butyrate increased and branched-chain VFA decreased linearly as the dose of PTSO increased. In the 24-h effluents, total VFA, acetate, and branched-chain VFA concentrations decreased linearly and those of propionate responded cubically with the highest value at 100mg

  5. Synthesis and herbicidal activity of novel 1-(Diethoxy-phosphoryl)-3-(4-one-1H-1,2,3-triazol-1-yl)-propan-2-yl carboxylic esters.

    PubMed

    Jin, Yan; Zhao, Hanqing; Lu, Huizhe; Kuemmel, Colleen M; Zhang, Jianjun; Wang, Daoquan

    2015-01-01

    A series of novel compounds, namely 1-(diethoxyphosphoryl)-3-(4-ones-1H-1,2,3-triazol-1-yl)propan-2-yl carboxylic esters, were designed on the basis of the diazafulvene intermediate of imidazole glycerol phosphate dehydratase (IGPD) and high-activity inhibitors of IGPD, and synthesized as inhibitors targeting IGPD in plants. Their structures were confirmed by 1H-NMR, 13C-NMR, 31P-NMR and HR-MS. The herbicidal evaluation performed by a Petri dish culture method showed that most compounds possessed moderate to good herbicidal activities. Six compounds were chosen for further herbicidal evaluation on barnyard grass by pot experiments. 1-(Diethoxyphosphoryl)-3-(4-phenyl-1H-1,2,3-triazol-1-yl)propan-2-yl 2-(naphthalen-1-yl)acetate (5-A3) and ethyl 1-(2-acetoxy-3-(diethoxyphosphoryl)propyl)-1H-1,2,3-triazole-4-carboxylate (5-B4) showed good herbicidal activities. Compared with the compounds with the best herbicidal activity ever reported, both compounds 5-A3 and 5-B4, which can inhibit the growth of barnyard grass at the concentration of 250g/hm2, efficiently gave rise to a nearly 4-fold increase of the herbicidal potency. However, their herbicidal activities were lower than that of acetochlor (62.5 g/hm2) in the pot experiments.

  6. Crystal structure of bis­(propane-1,3-diaminium) hexa­fluorido­aluminate di­aqua­tetra­fluorido­aluminate tetra­hydrate

    PubMed Central

    Abdi, Insaf; Al-Sadhan, Khulood; Ben Ali, Amor

    2014-01-01

    The title compound, (C3H12N2)2[AlF6][AlF4(H2O)2]·4H2O, was obtained by a solvothermal method in ethanol as solvent and with aluminium hydroxide, HF and 1,3-di­amino­propane as educts. The asymmetric unit contains a quarter each of two crystallographically independent propane-1,3-di­ammonium dicat­ions, [AlF6]3− and [AlF4(H2O)2]− anions and four water mol­ecules. The cations, anions and three of the independent water mol­ecules are situated on special positions mm, while the fourth water mol­ecule is disordered about a mirror plane. In the crystal, inter­molecular N—H⋯F and O—H⋯F hydrogen bonds link the cations and anions into a three-dimensional framework with the voids filled by water mol­ecules, which generate O—H⋯O hydrogen bonds and further consolidate the packing. PMID:25552968

  7. Crystal structure of di­chlorido­{2-methyl-2-[(pyridin-2-ylmeth­yl)amino]­propan-1-ol-κ3 N,N′,O}copper(II) from synchrotron data

    PubMed Central

    Shin, Jong Won; Lee, Dong Won; Kim, Dae-Woong; Moon, Dohyun

    2016-01-01

    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-ylmeth­yl)amino]­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). PMID:27746928

  8. Crystal structure of [μ2-3,3-dimethyl-4-(propan-2-yl­idene)thietane-2,2-dithiol­ato-κ4 S:S′:S:S′]bis[tricarbonyl­iron(I)](Fe—Fe)

    PubMed Central

    Zhao, Peihua; Bertke, Jeffery A.; Rauchfuss, Thomas B.

    2015-01-01

    The title complex, [Fe2(C8H12S3)(CO)6] or [{Fe(CO)3}2(μ-L)] [L = 3,3-dimethyl-4-(propan-2-yl­idene)thietane-2,2-bis­(thiol­ato)], consists of two Fe(CO)3 moieties double-bridged by a di­thiol­ate ligand. Each of the two FeI atoms has a distorted anti-prismatic coordination environment consisting of three carbonyl groups, two S atoms of the di­thiol­ate ligand and the neighboring FeI atom [Fe—Fe = 2.4921 (4) Å]. Weak C—H⋯O inter­molecular inter­actions result in the formation of dimers. This is the second crystal structure reported with the 3,3-dimethyl-4-(propan-2-yl­idene)thietane-2,2-bis­(thiol­ate) ligand and the first in which it bridges two metal atoms. PMID:26594495

  9. Synthesis and herbicidal activity of novel 1-(Diethoxy-phosphoryl)-3-(4-one-1H-1,2,3-triazol-1-yl)-propan-2-yl carboxylic esters.

    PubMed

    Jin, Yan; Zhao, Hanqing; Lu, Huizhe; Kuemmel, Colleen M; Zhang, Jianjun; Wang, Daoquan

    2015-01-01

    A series of novel compounds, namely 1-(diethoxyphosphoryl)-3-(4-ones-1H-1,2,3-triazol-1-yl)propan-2-yl carboxylic esters, were designed on the basis of the diazafulvene intermediate of imidazole glycerol phosphate dehydratase (IGPD) and high-activity inhibitors of IGPD, and synthesized as inhibitors targeting IGPD in plants. Their structures were confirmed by 1H-NMR, 13C-NMR, 31P-NMR and HR-MS. The herbicidal evaluation performed by a Petri dish culture method showed that most compounds possessed moderate to good herbicidal activities. Six compounds were chosen for further herbicidal evaluation on barnyard grass by pot experiments. 1-(Diethoxyphosphoryl)-3-(4-phenyl-1H-1,2,3-triazol-1-yl)propan-2-yl 2-(naphthalen-1-yl)acetate (5-A3) and ethyl 1-(2-acetoxy-3-(diethoxyphosphoryl)propyl)-1H-1,2,3-triazole-4-carboxylate (5-B4) showed good herbicidal activities. Compared with the compounds with the best herbicidal activity ever reported, both compounds 5-A3 and 5-B4, which can inhibit the growth of barnyard grass at the concentration of 250g/hm2, efficiently gave rise to a nearly 4-fold increase of the herbicidal potency. However, their herbicidal activities were lower than that of acetochlor (62.5 g/hm2) in the pot experiments. PMID:25587785

  10. Electronic effect in C-H and C-C bond activation: state-specific reactions of Fe/sup +/(/sup 6/D, /sup 4/F) with methane, ethane, and propane

    SciTech Connect

    Schultz, R.H.; Elkind, J.L.; Armentrout, P.B.

    1988-01-20

    Reactions of atomic iron ions with methane, ethane, and propane are studied with guided ion beam mass spectrometry. By using different ion sources different electronic states of the ion can be prepared and studied in detail. The first excited state, Fe/sup +/(/sup 4/F), is more reactive than the ground state, Fe/sup +/(/sup 6/D), for all endothermic reactions in all three systems. This result is similar to recent observations of the reactions of these states with H/sub 2/. The different reactivities are explained by using simple molecular orbital arguments. In contrast, Fe/sup +/(/sup 4/F) reacts less efficiently than Fe/sup +/(/sup 6/D) in the exothermic reactions of ethane and propane below 0.5 eV but more efficiently at higher energies. This behavior is explained by a potential energy surface crossing that is avoided at low kinetic energies due to spin-orbit interactions and is permitted at higher energies. Finally, analysis of the threshold behavior of the endothermic reactions provides the bond dissociation energies, D/sup 0/(Fe/sup +/-CH/sub 3/) = 2.51 +/- 0.10 eV (57.9 +/- 2.4 kcal/mol) and D/sup 0/(FeH) = 1.98 +/- 0.13 eV (45.7 +/- 3.0 kcal/mol).

  11. A layered fluorinated gallium phosphate organically templated by propane-1,3-diaminium, an analog of the aluminophosphate MIL-12: Ga2(PO4)F5.C3H12N2.

    PubMed

    Loiseau, Thierry; Ferey, Gerard

    2005-06-01

    Crystals of the oxyfluorinated gallium phosphate MIL-12 (digallium phosphate pentafluoride propane-1,3-diaminium), (C3H12N2)[Ga2(PO4)F5], were synthesized hydrothermally at 453 K under autogenous pressure using propane-1,3-diamine as the structure-directing agent. The title compound is isomorphous with the aluminium phosphate having the MIL-12 structural type. The structure is built up from a two-dimensional anionic network intercalated by the diamine species. The inorganic layer is composed of corner-linked GaO2F4 octahedra and PO4 tetrahedra. The diprotonated diamine group is located on a mirror plane, between the inorganic sheets, and interacts preferentially via hydrogen bonding through the ammonium groups and the terminal F and bridging O atoms of the inorganic layer. One of the Ga atoms lies on an inversion centre and the other lies on a mirror plane, as does the P atom, two of the phosphate O atoms and one of the F atoms. PMID:15930677

  12. Room temperature dehydrogenation of ethane, propane, linear alkanes C4-C8, and some cyclic alkanes by titanium-carbon multiple bonds.

    PubMed

    Crestani, Marco G; Hickey, Anne K; Gao, Xinfeng; Pinter, Balazs; Cavaliere, Vincent N; Ito, Jun-Ichi; Chen, Chun-Hsing; Mindiola, Daniel J

    2013-10-01

    The transient titanium neopentylidyne, [(PNP)Ti≡C(t)Bu] (A; PNP(-)≡N[2-P(i)Pr2-4-methylphenyl]2(-)), dehydrogenates ethane to ethylene at room temperature over 24 h, by sequential 1,2-CH bond addition and β-hydrogen abstraction to afford [(PNP)Ti(η(2)-H2C═CH2)(CH2(t)Bu)] (1). Intermediate A can also dehydrogenate propane to propene, albeit not cleanly, as well as linear and volatile alkanes C4-C6 to form isolable α-olefin complexes of the type, [(PNP)Ti(η(2)-H2C═CHR)(CH2(t)Bu)] (R = CH3 (2), CH2CH3 (3), (n)Pr (4), and (n)Bu (5)). Complexes 1-5 can be independently prepared from [(PNP)Ti═CH(t)Bu(OTf)] and the corresponding alkylating reagents, LiCH2CHR (R = H, CH3(unstable), CH2CH3, (n)Pr, and (n)Bu). Olefin complexes 1 and 3-5 have all been characterized by a diverse array of multinuclear NMR spectroscopic experiments including (1)H-(31)P HOESY, and in the case of the α-olefin adducts 2-5, formation of mixtures of two diastereomers (each with their corresponding pair of enantiomers) has been unequivocally established. The latter has been spectroscopically elucidated by NMR via C-H coupled and decoupled (1)H-(13)C multiplicity edited gHSQC, (1)H-(31)P HMBC, and dqfCOSY experiments. Heavier linear alkanes (C7 and C8) are also dehydrogenated by A to form [(PNP)Ti(η(2)-H2C═CH(n)Pentyl)(CH2(t)Bu)] (6) and [(PNP)Ti(η(2)-H2C═CH(n)Hexyl)(CH2(t)Bu)] (7), respectively, but these species are unstable but can exchange with ethylene (1 atm) to form 1 and the free α-olefin. Complex 1 exchanges with D2C═CD2 with concomitant release of H2C═CH2. In addition, deuterium incorporation is observed in the neopentyl ligand as a result of this process. Cyclohexane and methylcyclohexane can be also dehydrogenated by transient A, and in the case of cyclohexane, ethylene (1 atm) can trap the [(PNP)Ti(CH2(t)Bu)] fragment to form 1. Dehydrogenation of the alkane is not rate-determining since pentane and pentane-d12 can be dehydrogenated to 4 and 4-d12 with comparable

  13. Crystal structure of [propane-1,3-diylbis(piperidine-4,1-di­yl)]bis­[(pyridin-4-yl)methanone]–isophthalic acid (1/1)

    PubMed Central

    Murray, Nathan H.; Biros, Shannon M.; LaDuca, Robert L.

    2014-01-01

    In the crystal structure of the title co-crystal, C25H32N4O2·C8H6O4, isophthalic acid and [propane-1,3-diylbis(piperidine-4,1-di­yl)]bis­(pyridin-4-yl­methanone) mol­ecules are connected into supra­molecular chains aligned along the c axis by O—H⋯N hydrogen bonding. These aggregate into supra­molecular layers oriented parallel to the ac plane by C—H⋯O inter­actions. These layers then stack in an ABCD pattern along the b-axis direction by additional C—H⋯O inter­actions to give the full three-dimensional crystal structure. The central chain in the di­pyridyl­amide molecule has an anti–gauche conformation. PMID:25484727

  14. Computational validation of 3-ammonio-3-(4-oxido- 1H-imidazol-1-ium-5-yl) propane-1, 1-bis (olate) as a potent anti-tubercular drug against mt-MetAP.

    PubMed

    Chowdhury, Abhishek; Sen, Shantanu; Dey, Pradip; Chetia, Pankaj; Talukdar, Anupam Das; Bhattacharjee, Amitabha; Choudhury, Manabendra Dutta

    2012-01-01

    The advent of Multi Drug Resistant (MDR) strain of Mycobacterium tuberculosis (TB) necessitated search for new drug targets for the bacterium. It is reported that 3.3% of all new tuberculosis cases had multidrug resistance (MDR-TB) in 2009 and each year, about 0.44 million MDR-TB cases are estimated to emerge and 0.15 million people with MDR-TB die. Keeping such an alarming situation under consideration we wanted to design suitable anti tubercular molecules for new target using computational tools. In the work Methionine aminopeptidase (MetAP) of Mycobacterium tuberculosis was considered as target and three non-toxic phenolic=ketonic compounds were considered as ligands. Docking was done with Flex X and AutoDock 4.2 separately. Ten proven inhibitors of MetAP were collected from literature with their IC50 and were correlated using EasyQSAR to generate QSAR model. Activity of ligands in question was predicted from QSAR. Pharmacophore for each docking was generated using Ligandscout 3.0. Toxicity of the ligands in question was predicted on Mobyle@rpbs portal and Actelion property explorer. Molecular docking with target showed that of all three ligands, 3-ammonio-3-(4-oxido-1H-imidazol-1-ium-5-yl) propane-1, 1-bis (olate) has highest affinity (- 37.5096) and lowest IC50 (4.46 µM). We therefore, propose that -3-ammonio-3-(4-oxido-1H-imidazol-1-ium-5-yl) propane-1,1- bis(olate) as a potent MetAP inhibitor may be a new anti-tubercular drug particularly in the context of Multi Drug Resistant Tuberculosis (MDR-TB).

  15. Intramolecular, Exciplex-Mediated, Proton-Coupled, Charge-Transfer Processes in N,N-Dimethyl-3-(1-pyrenyl)propan-1-ammonium Cations: Influence of Anion, Solvent Polarity, and Temperature.

    PubMed

    Safko, Trevor M; Faleiros, Marcelo M; Atvars, Teresa D Z; Weiss, Richard G

    2016-06-16

    An intramolecular exciplex-mediated, proton-coupled, charge-transfer (PCCT) process has been investigated for a series of N,N-dimethyl-3-(1-pyrenyl)propan-1-ammonium cations with different anions (PyS) in solvents of low to intermediate polarity over a wide temperature range. Solvent mediates both the equilibrium between conformations of the cation that place the pyrenyl and ammonium groups in proximity (conformation C) or far from each other (conformation O) and the ability of the ammonium group to transfer a proton adiabatically in the PyS excited singlet state. Thus, exciplex emission, concurrent with the PCCT process, was observed only in hydrogen-bond accepting solvents of relatively low polarity (tetrahydrofuran, ethyl acetate, and 1,4-dioxane) and not in dichloromethane. From the exciplex emission and other spectroscopic and thermodynamic data, the acidity of the ammonium group in conformation C of the excited singlet state of PyS (pKa*) has been estimated to be ca. -3.4 in tetrahydrofuran. The ratios between the intensities of emission from the exciplex and the locally excited state (IEx/ILE) appear to be much more dependent on the nature of the anion than are the rates of exciplex formation and decay, although the excited state data do not provide a quantitative measure of the anion effect on the C-O equilibrium. The activation energies associated with exciplex formation in THF are calculated to be 0.08 to 0.15 eV lower than for the neutral amine, N,N-dimethyl-3-(1-pyrenyl)propan-1-amine. Decay of the exciplexes formed from the deprotonation of PyS is hypothesized to occur through charge-recombination processes. To our knowledge, this is the first example in which photoacidity and intramolecular exciplex formation (i.e., a PCCT reaction) are coupled.

  16. Intramolecular, Exciplex-Mediated, Proton-Coupled, Charge-Transfer Processes in N,N-Dimethyl-3-(1-pyrenyl)propan-1-ammonium Cations: Influence of Anion, Solvent Polarity, and Temperature.

    PubMed

    Safko, Trevor M; Faleiros, Marcelo M; Atvars, Teresa D Z; Weiss, Richard G

    2016-06-16

    An intramolecular exciplex-mediated, proton-coupled, charge-transfer (PCCT) process has been investigated for a series of N,N-dimethyl-3-(1-pyrenyl)propan-1-ammonium cations with different anions (PyS) in solvents of low to intermediate polarity over a wide temperature range. Solvent mediates both the equilibrium between conformations of the cation that place the pyrenyl and ammonium groups in proximity (conformation C) or far from each other (conformation O) and the ability of the ammonium group to transfer a proton adiabatically in the PyS excited singlet state. Thus, exciplex emission, concurrent with the PCCT process, was observed only in hydrogen-bond accepting solvents of relatively low polarity (tetrahydrofuran, ethyl acetate, and 1,4-dioxane) and not in dichloromethane. From the exciplex emission and other spectroscopic and thermodynamic data, the acidity of the ammonium group in conformation C of the excited singlet state of PyS (pKa*) has been estimated to be ca. -3.4 in tetrahydrofuran. The ratios between the intensities of emission from the exciplex and the locally excited state (IEx/ILE) appear to be much more dependent on the nature of the anion than are the rates of exciplex formation and decay, although the excited state data do not provide a quantitative measure of the anion effect on the C-O equilibrium. The activation energies associated with exciplex formation in THF are calculated to be 0.08 to 0.15 eV lower than for the neutral amine, N,N-dimethyl-3-(1-pyrenyl)propan-1-amine. Decay of the exciplexes formed from the deprotonation of PyS is hypothesized to occur through charge-recombination processes. To our knowledge, this is the first example in which photoacidity and intramolecular exciplex formation (i.e., a PCCT reaction) are coupled. PMID:27268751

  17. Crystal structure of catena-poly[[[tri­aqua­strontium]-di-μ2-glycinato] dibromide

    PubMed Central

    Revathi, Palanisamy; Balakrishnan, Thangavelu; Ramamurthi, Kandasamy; Thamotharan, Subbiah

    2015-01-01

    In the title coordination polymer, {[Sr(C2H5NO2)2(H2O)3]Br2}n, the Sr2+ ion and one of the water mol­ecules are located on twofold rotation axes. The alkaline earth ion is nine-coordinated by three water O atoms and six O atoms of the carboxyl­ate groups of four glycine ligands, two in a chelating mode and two in a monodentate mode. The glycine mol­ecule exists in a zwitterionic form and bridges the cations into chains parallel to [001]. The Br− counter-anions are located between the chains. Inter­molecular hydrogen bonds are formed between the amino and carboxyl­ate groups of neighbouring glycine ligands, generating a head-to-tail sequence. Adjacent head-to-tail sequences are further inter­connected by inter­molecular N—H⋯Br hydrogen-bonding inter­actions into sheets parallel to (100). O—H⋯Br and O—H⋯O hydrogen bonds involving the coordinating water mol­ecules are also present, consolidating the three-dimensional hydrogen-bonding network. PMID:26279890

  18. 75 FR 17712 - Malathion and Diquat Dibromide; Cancellation Order for Amendments to Terminate Uses

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-07

    ... Herbicide only) Soybean (seed crop only) 4787-46 Atrapa 8E Malathion Animal premise and barns used for dairy and livestock 67760-40 Fyfanon 57% EC Malathion Animal premise and barns used for dairy and livestock... Table 1 of this unit, in sequence by EPA company number. Table 2.--Registrants of Amended Products...

  19. Comprehensive quantum chemical and spectroscopic (FTIR, FT-Raman, 1H, 13C NMR) investigations of (1,2-epoxyethyl)benzene and (1,2-epoxy-2-phenyl)propane

    NASA Astrophysics Data System (ADS)

    Arjunan, V.; Anitha, R.; Devi, L.; Mohan, S.; Yang, Haifeng

    2015-01-01

    Aromatic epoxides are causative factors for mutagenic and carcinogenic activity of polycyclic arenes. The 1,2- or 2,3-epoxy compounds are widely used to a considerable extent in the textile, plastics, pharmaceutical, cosmetics, detergent and photochemical industries. The FTIR and FT-Raman spectra of (1,2-epoxyethyl)benzene and (1,2-epoxy-2-phenyl)propane are recorded in the regions 4000-400 cm-1 and 4000-100 cm-1, respectively. The observed fundamentals are assigned to different normal modes of vibration. The structure of the compound has been optimised with B3LYP method using 6-311++G** and cc-pVTZ basis sets. The IR and Raman intensities are determined. The total electron density and molecular electrostatic potential surfaces of the molecule are constructed by using B3LYP/6-311++G(d,p) method to display electrostatic potential (electron + nuclei) distribution. The electronic properties HOMO and LUMO energies were measured. Natural bond orbital analysis of the compounds has been performed to indicate the presence of intramolecular charge transfer. The 1H and 13C NMR chemical shifts of the molecules have been analysed.

  20. Structure determination of propanal by joint analysis of gas electron diffraction, microwave and infrared spectroscopy, including constraints and a valence force field from geometry relaxed ab-initio calculations

    NASA Astrophysics Data System (ADS)

    Van Nuffel, P.; Van Den Enden, L.; Van Alsenoy, C.; Geise, H. J.

    1984-04-01

    The structure and conformational equilibrium of CH 3-SYN and CH 3-SKEW conformers of propanal were studied by joint analysis of gas electron diffraction, microwave and infrared data, including constraints obtained after ab-initio relaxations (4-21G basis set) of the molecule. A valence force field was calculated for both conformers and scaled upon experimental IR frequencies; theoretical frequencies and band intensities are compared to experimental ones. Rotamer populations of CH 3-SYN and CH 3-SKEW were found to be 81 and 19%, respectively, at 300 K. The following best-fitting rg/ rα parameters were obtained as: r(OC) = 1.209(4) Å, r(C2C3) = 1.515(9) Å, r(C3C4) = 1.521(9) Å for CH 3-SYN and (with lower reliability) 1.569(45) Å for CH 3-SKEW, = 1.127(4) Å, ∠O=CC = 124.5(3)°(SYN) and 125.1(3)° (SKEW), ∠CCC = 113.8(4)° (SYN) and 110.2(4)° (SKEW), torsion angle around C2C3 = 123.7(2.6)° for CH 3-SKEW.

  1. Crystal structure of bis­[μ-2-(diiso­propyl­phosphor­yl)propan-2-olato-κ3 O 1,O 2:O 1]bis­[chlorido­oxidovanadium(IV)

    PubMed Central

    Glatz, Mathias; Stöger, Berthold; Weil, Matthias; Kirchner, Karl

    2016-01-01

    The dinuclear mol­ecule of the title complex, [VOCl{μ-OC(Me)2P(iPr)2-κ2 O}]2 or [V2(C9H20O2P)2Cl2O2], which was obtained due to an unexpected oxidation reaction, is centrosymmetric, with the inversion centre located in the middle of the central V2O2 core. These core O atoms arise from the symmetry-related 2-(diiso­propyl­phosphor­yl)propan-2-olate dianions. The VIV atom is additionally bonded to one terminal Cl ligand, the second O atom of the dianion and double bonded to a vanadyl O atom, leading to an overall distorted square-pyramidal VO4Cl coordination polyhedron with the vanadyl O atom as the apex. An intra­molecular C—H⋯Cl contact helps to establish the mol­ecular configuration. In the crystal, mol­ecules are stacked in rows parallel to [001] and are linked by C—H⋯Cl contacts to form chains running in the same direction. PMID:27308042

  2. Evolution of MoTeO x/SiO 2 and MoBiTeO x/SiO 2 catalysts in the partial oxidation of propane to acrolein

    NASA Astrophysics Data System (ADS)

    He, Yiming; Wu, Ying

    2010-04-01

    A thorough investigation of the catalysts Mo 1Te 1O x/SiO 2 and Mo 1Bi 0.05Te 1O x/SiO 2 in the partial oxidation of propane is presented in this paper, in order to elucidate the nature and behavior of the active surface. The catalysts' structures and redox properties were investigated by means of X-ray powder diffraction, Raman spectroscopy, in situ Raman spectroscopy, X-ray photoelectron spectroscopy, and H 2-TPR techniques. The results indicate that Te-polymolybdate is the main active phase on fresh catalysts. During reaction, the catalysts underwent a progressive reduction, resulting in the reconstruction of the active surface and the formation of a MoO 3 phase. The synergistic effect between Te-polymolybdate and MoO 3 was assumed to promote catalytic performance. The different stabilities of Mo 1Te 1O x/SiO 2 and Mo 1Bi 0.05Te 1O x/SiO 2 catalysts are also discussed.

  3. Rational design, synthesis, anti-HIV-1 RT and antimicrobial activity of novel 3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(piperazin-1-yl)propan-1-one derivatives.

    PubMed

    Chander, Subhash; Wang, Ping; Ashok, Penta; Yang, Liu-Meng; Zheng, Yong-Tang; Murugesan, Sankaranarayanan

    2016-08-01

    In the present study, fifteen novel 3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(piperazin-1-yl)propan-1-one (6a-o) derivatives were designed as inhibitor of HIV-1 RT using ligand based drug design approach and in-silico evaluated for drug-likeness properties. Designed compounds were synthesized, characterized and in-vitro evaluated for RT inhibitory activity against wild HIV-1 RT strain. Among the tested compounds, four compounds (6a, 6b, 6j and 6o) exhibited significant inhibition of HIV-1 RT (IC50⩽10μg/ml). All synthesized compounds were also evaluated for anti-HIV-1 activity as well as cytotoxicity on T lymphocytes, in which compounds 6b and 6l exhibited significant anti-HIV activity (EC50 values 4.72 and 5.45μg/ml respectively) with good safety index. Four compounds (6a, 6b, 6j and 6o) found significantly active against HIV-1 RT in the in-vitro assay were in-silico evaluated against two mutant RT strains as well as one wild strain. Further, titled compounds were evaluated for in-vitro antibacterial (Escherichia coli, Pseudomonas putida, Staphylococcus aureus and Bacillus cereus) and antifungal (Candida albicans and Aspergillus niger) activities.

  4. Vibrational and structural observations and molecular docking study on 1-{3-(4-chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}-ethanone

    NASA Astrophysics Data System (ADS)

    Parveen S, Shana; Al-Alshaikh, Monirah A.; Panicker, C. Yohannan; El-Emam, Ali A.; Narayana, B.; Saliyan, Vinutha V.; Sarojini, B. K.; Van Alsenoy, C.

    2016-05-01

    A combined experimental and theoretical analysis of on molecular structure, vibrational spectra and HOMO-LUMO analysis of 1-{3-(4-chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}-ethanone is reported. The equilibrium geometry and vibrational wavenumbers have been computed using desnity functional B3LYP method with 6-311++G(d) (5D, 7F) as basis set. The nonlinear optical properties were evaluated by the determination of the first and second hyperpolarizabilities of the title compound. HOMO is localized over the whole molecule except the ring PhIII and the CH3 groups attached to the PhIII while the LUMO is located through out the whole molecule except the CH3 groups attached with the PhIII and this shows that an eventual charge transfer occurs within the molecule. From the molecular electrostatic potential study, the negative electrostatic potential regions are mainly localized over the carbonyl group, phenyl rings and are possible sites for electrophilic attack and the positive regions are localized over the nitrogen atoms as possible sites for nucleophilic attack. The docked ligand title compound forms a stable complex with kinesin spindle protein (KSP) and gives a binding affinity value of -6.7 kcal/mol the results suggest that the compound might exhibit inhibitory activity against KSP.

  5. Comprehensive quantum chemical and spectroscopic (FTIR, FT-Raman, (1)H, (13)C NMR) investigations of (1,2-epoxyethyl)benzene and (1,2-epoxy-2-phenyl)propane.

    PubMed

    Arjunan, V; Anitha, R; Devi, L; Mohan, S; Yang, Haifeng

    2015-01-25

    Aromatic epoxides are causative factors for mutagenic and carcinogenic activity of polycyclic arenes. The 1,2- or 2,3-epoxy compounds are widely used to a considerable extent in the textile, plastics, pharmaceutical, cosmetics, detergent and photochemical industries. The FTIR and FT-Raman spectra of (1,2-epoxyethyl)benzene and (1,2-epoxy-2-phenyl)propane are recorded in the regions 4000-400 cm(-1) and 4000-100 cm(-1), respectively. The observed fundamentals are assigned to different normal modes of vibration. The structure of the compound has been optimised with B3LYP method using 6-311++G(**) and cc-pVTZ basis sets. The IR and Raman intensities are determined. The total electron density and molecular electrostatic potential surfaces of the molecule are constructed by using B3LYP/6-311++G(d,p) method to display electrostatic potential (electron+nuclei) distribution. The electronic properties HOMO and LUMO energies were measured. Natural bond orbital analysis of the compounds has been performed to indicate the presence of intramolecular charge transfer. The (1)H and (13)C NMR chemical shifts of the molecules have been analysed.

  6. Crystal structure of diethyl 3-(3-chloro­phen­yl)-2,2-di­cyano­cyclo­propane-1,1-di­carboxyl­ate

    PubMed Central

    May, Nóra Veronika; Gál, Gyula Tamás; Rapi, Zsolt; Bakó, Péter

    2016-01-01

    In the racemic title compound, C17H15ClN2O4, which has been synthesized and the crystal structure of the solvent-free mol­ecule determined, the angle between the planes of the benzene and cyclo­propane rings is 54.29 (10)°. The mol­ecular conformation is stabilized by two weak intra­molecular C—H⋯Ocarbox­yl inter­actions. In the crystal, C—H⋯O hydrogen bonds form centrosymmetric cyclic R 2 2(10) dimers which are linked into chain substructures extending along c. Further C—H⋯Nnitrile hydrogen bonding, including a centrosymmetric cyclic R 2 2(14) association, link the chain substructures, forming a two-dimensional layered structure extending across the approximate ab plane. No significant π–π or halogen–halogen inter­molecular inter­actions are present in the crystal. PMID:26958400

  7. Spectroscopic investigations and molecular docking study of (2E)-1-(4-Chlorophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one using quantum chemical calculations

    NASA Astrophysics Data System (ADS)

    Parveen, Shana; Al-Alshaikh, Monirah A.; Panicker, C. Yohannan; El-Emam, Ali A.; Salian, Vinutha V.; Narayana, B.; Sarojini, B. K.; van Alsenoy, C.

    2016-09-01

    In this work, the vibrational spectral analysis was carried out using FT-IR and FT-Raman spectroscopy of (2E)-1-(4-Chlorophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one. The computations were performed at DFT level of theory to get the optimizedgeometry and vibrational wave numbers of the normal modes of the title compound using Gaussian09 software. The complete vibrational assignments of wave numbers were made on the basis of potential energy distribution. The calculated HOMO and LUMO energies show chemical activity of the molecule. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis. The hyperpolarizability values are reported and the first hyperpolarizability of the title compound is 83.85 times that of standard NLO material urea. From the MEP plot, the negative electrostatic potential regions are mainly localized over the carbonyl group, the phenyl rings and are possible sites for electrophilic attack. The positive regions are localized over all the hydrogen atoms and are possible sites for nucleophilic attack. The molecular docking results suggest that the compound might exhibit inhibitory activity against lymphocyte-specific kinase and may results in design of novel T-cell immunosuppressants.

  8. Crystal structure of bis-[μ-2-(diiso-propyl-phosphor-yl)propan-2-olato-κ(3) O (1),O (2):O (1)]bis-[chlorido-oxidovanadium(IV)].

    PubMed

    Glatz, Mathias; Stöger, Berthold; Weil, Matthias; Kirchner, Karl

    2016-06-01

    The dinuclear mol-ecule of the title complex, [VOCl{μ-OC(Me)2P(iPr)2-κ(2) O}]2 or [V2(C9H20O2P)2Cl2O2], which was obtained due to an unexpected oxidation reaction, is centrosymmetric, with the inversion centre located in the middle of the central V2O2 core. These core O atoms arise from the symmetry-related 2-(diiso-propyl-phosphor-yl)propan-2-olate dianions. The V(IV) atom is additionally bonded to one terminal Cl ligand, the second O atom of the dianion and double bonded to a vanadyl O atom, leading to an overall distorted square-pyramidal VO4Cl coordination polyhedron with the vanadyl O atom as the apex. An intra-molecular C-H⋯Cl contact helps to establish the mol-ecular configuration. In the crystal, mol-ecules are stacked in rows parallel to [001] and are linked by C-H⋯Cl contacts to form chains running in the same direction. PMID:27308042

  9. Synthesis of Mannich bases: 2-(3-Phenylaminopropionyloxy)-benzoic acid and 3-Phenylamino-1-(2,4,6-trimethoxy-phenyl)-propan-1-one, their toxicity, ionization constant, antimicrobial and antioxidant activities.

    PubMed

    Oloyede, Ganiyat K; Willie, Itoro E; Adeeko, Oluwakemi O

    2014-12-15

    Mannich bases 2-(3-Phenylaminopropionyloxy)-benzoic acid (A) and 3-Phenylamino-1-(2,4,6-trimethoxy-phenyl)-propan-1-one (B) were synthesized. Structures were confirmed by ultraviolet/visible and infra-red spectroscopies. The ionization constant (pKa) values at 8.3 and 8.0 reported for compounds A and B, respectively, indicated that protonation might occur at physiological pH. The LC50 values of 145,595 μg/ml (A) and 82,526 μg/ml (B) obtained from Brine shrimp lethality testing showed that both compounds were non-toxic. The two compounds possessed significant antimicrobial activity against bacterial and fungal strains; Escherichia coli, Staphylococcus aereus, Bacillus subtilis, Pseudomonas aeruginosa, Klebsiella pneumoniae, Salmonellae typhi, Candida albicans, Rhizopus stolonifer, Aspergillus niger and Penicillium notatum when compared with standards, gentamicin and tioconazole for bacteria and fungi, respectively. In vitro antioxidant screening by the DPPH free radical scavenging method and the scavenging effect on hydrogen peroxide showed that the compounds possessed significant antioxidant activity when compared with antioxidant standards ascorbic acid, butylated hydroxylanisole and α-tocopherol. PMID:25038706

  10. Poly[[bis­{μ3-2-[(3,5-dimethyl-1H-pyrazol-1-yl)(phen­yl)meth­yl]propane­dioato}tetra­sodium(I)] 7.5-hydrate

    PubMed Central

    Meskini, Ihssan; Daoudi, Maria; Daran, Jean-Claude; Ben Hadda, Taibi; Zouihri, Hafid

    2010-01-01

    The asymmetric unit of the title polymer, {[Na4(C15H14N2O4)2]·7.5H2O}n, contains two 2-[(3,5-dimethyl-1H-pyrazol-1-yl)(phen­yl)meth­yl]propane­dioate (ppmp) anions, eight water mol­ecules (one located on a twofold rotation axis) and five sodium cations (one located on an inversion center and the other one located on a twofold rotation axis). The carboxyl­ate groups of the ppmp anions and the water mol­ecules bridge the Na cations, forming a two-dimensional polymeric structure. In the structure there are two types of coordination environment around the metal cations: one Na cation is coordinated by five O atoms in a distorted square-pyramidal geometry while the other four Na cations are coordinated by six O atoms in a distorted octa­hedral geometry. Extensive O—H⋯O and O—H⋯N hydrogen bonding is present in the crystal structure. The H atoms of one methyl group of the ppmp anion are disordered equally over two positions. PMID:21588089

  11. A novel gallium arsenate organically templated by propane-1,3-diyldiammonium with a ULM-3-type open framework: [Ga3(AsO4)3(OH)F]-(C3H12N2) x H2O.

    PubMed

    Loiseau, Thierry; Ferey, Gerard

    2004-03-01

    Crystals of the title oxyfluorinated gallium arsenate, viz. tris(arsenato)fluorohydroxotrigallium propane-1,3-diyldiammonium monohydrate, were synthesized hydrothermally at 453 K under autogenous pressure, using 1,3-diaminopropane as the structure-directing agent. The solid crystallizes in the orthorhombic system and its structure was determined from single-crystal X-ray diffraction analysis. The structure is similar to that of gallium or aluminium phosphates with the ULM-3 structural type and is built up from a three-dimensional anionic framework composed of corner-linked hexameric Ga3(AsO4)3(OH)F units. The Ga atoms have an octahedral [GaO4(OH)F] or trigonal-bipyramidal [GaO4(OH) and GaO4F] coordination. These units are connected to one another and to the tetrahedral AsO4 groups via OH or F bridges. The three-dimensional framework contains ten-ring channels along [010], crosslinked by eight-ring channels along [110] and [110]. The diprotonated organic species and water molecules reside within the ten-ring channels. The cation is linked to the framework via an N-H...F hydrogen bond. A strong N-H...O hydrogen bond links the cation and the water molecule. PMID:15004354

  12. Enzymes involved in the glycidaldehyde (2,3-epoxy-propanal) oxidation step in the kinetic resolution of racemic glycidol (2,3-epoxy-1-propanol) by Acetobacter pasteurianus.

    PubMed

    Wandel, U; Machado, S S.; Jongejan, J A.; Duine, J A.

    2001-02-01

    It is already known that kinetic resolution of racemic glycidol (2,3-epoxy-1-propanol) takes place when Acetobacter pasteurianus oxidizes the compound to glycidic acid (2,3-epoxy-propionic acid) with glycidaldehyde (2,3-epoxy-propanal) proposed to be the transient seen in this conversion. Since inhibition affects the feasibility of a process based on this conversion in a negative sense, and the chemical reactivity of glycidaldehyde predicts that it could be the cause for the phenomena observed, it is important to know which enzyme(s) oxidise(s) this compound. To study this, rac.- as well as (R)-glycidaldehyde were prepared by chemical synthesis and analytical methods developed for their determination. It appears that purified quinohemoprotein alcohol dehydrogenase (QH-ADH type II), the enzyme responsible for the kinetic resolution of rac.-glycidol, also catalyses the oxidation of glycidaldehyde. In addition, a preparation exhibiting dye-linked aldehyde dehydrogenase activity for acetaldehyde, most probably originating from molybdohemoprotein aldehyde dehydrogenase (ALDH), which has been described for other Acetic acid bacteria, oxidised glycidaldehyde as well with a preference for the (R)-enantiomer, the selectivity quantified by an enantiomeric ratio (E) value of 7. From a comparison of the apparent kinetic parameter values of QH-ADH and ALDH, it is concluded that ALDH is mainly responsible for the removal of glycidaldehyde in conversions of glycidol catalysed by A. pasteurianus cells. It is shown that the transient observed in rac.-glycidol conversion by whole cells, is indeed (R)-glycidaldehyde. Since both QH-ADH and ALDH are responsible for vinegar production from ethanol by Acetobacters, growth and induction conditions optimal for this process seem also suited to yield cells with high catalytic performance with respect to kinetic resolution of glycidol and prevention of formation of inhibitory concentrations glycidaldehyde.

  13. Inhibition of Vein Graft Stenosis in Rabbits with a c-jun Targeting DNAzyme in a Cationic Liposomal Formulation Containing 1,2-dioleoyl-3-trimethylammonium propane (DOTAP)/1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (DOPE)

    PubMed Central

    Li, Yue; Bhindi, Ravinay; Deng, Zhou J.; Morton, Stephen W.; Hammond, Paula T.; Khachigian, Levon M.

    2014-01-01

    Background/Objectives Coronary artery bypass grafting (CABG) is among the most commonly performed heart surgical procedures for the treatment of ischemic heart disease. Saphenous vein graft failure due to stenosis impedes the longer-term success of CABG. A key cellular event in the process of vein graft stenosis is smooth muscle cell (SMC) hyperplasia. In this study, we evaluated the effect of a DNAzyme (Dz13) targeting the transcription factor c-Jun in a rabbit model of vein graft stenosis after autologous transplantation in a cationic liposomal formulation containing 1,2-dioleoyl-3-trimethylammonium propane (DOTAP)/1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (DOPE). Dz13 in DOTAP/DOPE has undergone preclinical toxicological testing, and a Phase I clinical trial we recently conducted in skin cancer patients demonstrates that it is safe and well tolerated after local administration. Methods Effects of Dz13 in a formulation containing DOTAP/DOPE on SMC growth and c-Jun expression were assessed. Dz13 transfection was determined by cellular uptake of carboxyfluorescein-labeled Dz13. Autologous jugular vein to carotid artery transplantation was performed in New Zealand White rabbits to investigate the effect of the Dz13 in DOTAP/DOPE formulation on the extent of intimal hyperplasia. Results Dz13/DOTAP/DOPE reduced SMC proliferation and c-Jun protein expression in vitro compared with an impotent form of Dz13 bearing a point mutation in its catalytic domain (Dz13.G>C). The Dz13 (500 µg)/DOTAP/DOPE formed lipoplexes that were colloidally stable for up to 1 hour on ice (0°C) or 30 minutes at 37°C, allowing sufficient uptake by the veins. Dz13 (500µg) inhibited neointima formation 28 days after end-to-side transplantation. Conclusions This formulation applied to veins prior to transplantation may potentially be useful in efforts to reduce graft failure. PMID:23886527

  14. Analysis of the Torsional Splitting in the νb{8} Band of Propane Near 870.4 wn Caused by Fermi Resonance with the 2νb{14}+2νb{27} Level

    NASA Astrophysics Data System (ADS)

    Groner, Peter; Perrin, Agnes; Kwabia Tchana, F.; Manceron, Laurent

    2016-06-01

    Torsional splitting has been observed in the νb{8} and νb{21} IR bands of propane near 870.4 and 921.4 wn, respectively, recorded at the AILES Beamline at the SOLEIL synchrotron. Over 4000 individual transitions of the νb{8} band were assigned and analyzed with an expanded version of the effective rotational Hamiltonian for molecules with two symmetric internal rotors (ERHAM). A least-squares fit approximated a large portion of the assigned transitions with a model of an isolated νb{8} state with acceptable precision. However, this model was unable to reproduce many systematic deviations and local resonances. A torsional analysis of existing experimental data and ab initio predictions allows the conclusion that Fermi resonance between νb{8} and the torsional combination state 2νb{14}+2νb{27} most likely caused the failure of the isolated state model. Additional modifications to ERHAM that include Fermi resonance with another state support the conclusion that most of the observed torsional splitting in νb{8} is caused by the 2νb{14}+2νb{27} state. The continuing detailed analysis is expected to yield more definitive results by the time of this meeting. A. Perrin et al., J. Mol. Spectrosc. 315 (2015), 55-62; A. Perrin et al., ISMS15, presentation TG04. P. Groner, J. Chem. Phys. 107 (1997) 4483-4498; P. Groner, J. Mol. Spectrosc. 278 (2012) 52-67.

  15. New coordination polymers from 1D chain, 2D layer to 3D framework constructed from 1,2-phenylenediacetic acid and 1,3-bis(4-pyridyl)propane flexible ligands

    SciTech Connect

    Xin Lingyun; Liu Guangzhen; Wang Liya

    2011-06-15

    The hydrothermal reactions of Cd, Zn, or Cu(II) acetate salts with H{sub 2}PHDA and BPP flexible ligands afford three new coordination polymers, including [Cd(PHDA)(BPP)(H{sub 2}O)]{sub n}(1), [Zn(PHDA)(BPP)]{sub n}(2), and [Cu{sub 2}(PHDA){sub 2}(BPP)]{sub n}(3) (H{sub 2}PHDA=1,2-phenylenediacetic acid, BPP=1,3-bis(4-pyridyl)propane). The single-crystal X-ray diffractions reveal that all three complexes feature various metal carboxylate subunits extended further by the BPP ligands to form a diverse range of structures, displaying a remarked structural sensitivity to metal(II) cation. Complex 1 containing PHDA-bridged binuclear cadmium generates 1D double-stranded chain, complex 2 results in 2D{yields}2D interpenetrated (4,4) grids, and complex 3 displays a 3D self-penetrated framework with 4{sup 8}6{sup 6}8 rob topology. In addition, fluorescent analyses show that both 1 and 2 exhibit intense blue-violet photoluminescence in the solid state. - Graphical Abstract: We show diverse supramolecular frameworks based on the same ligands (PHDA and BPP) and different metal acetate salts including 1D double-stranded chain, 2D {yields} 2D twofold interpenetrated layer, and 3D self-penetration networks. Highlights: > Three metal(II = 2 /* ROMAN ) coordination polymers were synthesized using H{sub 2}PHDA and BPP. > The diversity of structures show a remarked sensitivity to metal(II) center. > Complexes show the enhancement of fluorescence compared to that of free ligand.

  16. A novel azo-aldehyde and its Ni(II) chelate; synthesis, characterization, crystal structure and computational studies of 2-hydroxy-5-{(E)-[4-(propan-2-yl)phenyl]diazenyl}benzaldehyde

    NASA Astrophysics Data System (ADS)

    Eren, Tuğba; Kose, Muhammet; Sayin, Koray; McKee, Vickie; Kurtoglu, Mukerrem

    2014-05-01

    A novel azo-salicylaldeyde, 2-hydroxy-5-{(E)-[4-(propan-2-yl)phenyl]diazenyl} benzaldehyde and its Ni(II) chelate were obtained and characterized by analytical and spectral techniques. Molecular structure of the azo chromophore containing azo-aldehyde was determined by single crystal X-ray crystallography. X-ray data show that the compound crystallizes in the orthorhombic, Pbca space group with unit cell parameters a = 11.2706(9), b = 8.3993(7), c = 28.667(2) Å, V = 2713.7(4) Å3 and Z = 8. There is a strong phenol-aldehyde (OH⋯O) hydrogen bond forming a S(6) hydrogen bonding motif in the structure. There is also a weaker inter-molecular phenol-aldeyhde (OH⋯O) hydrogen bonding resulting in a dimeric structure and generating a D22(4) hydrogen bonding motif. Hydrogen bonded dimers are linked by π-π interactions within the structure. The azo-aldehyde ligand behaved as bidentate, coordinating through the nitrogen atom of the azomethine group and or oxygen atom of phenolic hydroxyl group. Additionally, optimized structures of the three possible tautomers of the compound were obtained using B3LYP method with 6-311++G(d,p), 6-31G and 3-21G basis sets in the gas phase. B3LYP/6-311++G(d,p) level is found to be the best level for calculation. The electronic spectra of the compounds in the 200-800 nm range were obtained in three organic solvents.

  17. Synthesis, structural characterization, antibacterial activity and computational studies of new cobalt (II) complexes with 1,1,3,3-tetrakis (3,5-dimethyl-1-pyrazolyl)propane ligand

    NASA Astrophysics Data System (ADS)

    Beheshti, Azizolla; Safaeiyan, Forough; Hashemi, Faeze; Motamedi, Hossein; Mayer, Peter; Bruno, Giuseppe; Rudbari, Hadi Amiri

    2016-11-01

    Two new mono- and dinuclear Co(II) complexes namely [Co(tdmpp)Cl2]2·H2O (1) and [Co2(tdmpp)Cl4] (2) (where tdmpp = 1,1,3,3-tetrakis(3,5-dimethyl-1-pyrazolyl)propane) were prepared by one-pot reactions in methanol as a solvent. These compounds have been characterized by single crystal X-ray diffraction, elemental analysis, infrared spectroscopy, antibacterial activity and computational studies. In both complexes, Co (II) atom is tetrahedrally coordinated by two N atoms from one of the chelating bidentate bis(3,5-dimethylpyrazolyl)methane units of the tdmpp ligand and two Cl as terminal ligands. In these structures, the neighboring [Co(tdmpp)Cl2]2·H2O (1) and [Co2(tdmpp)Cl4] (2) molecules are joined together by the intermolecular Csbnd H⋯Cl hydrogen bonds to form a 1D chain structure. As a consequence of the intermolecular Csbnd H⋯π interactions these chains are further linked to generate a two-dimensional non-covalent bonded structure. The in vitro antibacterial activity studies of the free tdmpp ligand, compounds 1 and 2 show that the ability of these compounds to inhibit growth of the tested bacteria increase progressively from tdmpp to the dinuclear complex 2. Molecular-docking investigations between the five standard antibiotic, free tdmpp ligand, title complexes and five biological macromolecule enzymes (receptors) were carried out from using Autodock vina function. The results of docking studies confirmed that the metal complexes are more active than the free ligand. This is consistent with the results obtained by the antibacterial activities of these compounds.

  18. On divorcing isomers, dissecting reactivity, and resolving mechanisms of propane Csbnd H and aryl Csbnd X (X = halogen) bond activations mediated by a ligated copper(III) oxo complex

    NASA Astrophysics Data System (ADS)

    Rijs, Nicole J.; Weiske, Thomas; Schlangen, Maria; Schwarz, Helmut

    2014-07-01

    The long suspected presence of two isomeric copper complexes (A and B), proportionally dependent on ESI cone voltage, was confirmed by their isolation, separation and characterization in a travelling wave ion mobility spectrometry-mass spectrometer (TWIMS-MS) with modifications to allow for ion/molecule reactions to be performed. Despite their small difference in cross-sectional area (∼1%) the isomers were well resolved, in part due to a strong interaction of isomer B with the N2 buffer gas. The reactivity of each TWIMS-separated isomer was probed: propane reacted with isomer A via Csbnd H bond activation and O-atom transfer, while no such reactions were observed for isomer B; the aryl halides PhX (X = F, Cl, Br, I) also reacted solely with A, via either concerted oxidation and halide transfer, or O-atom transfer. DFT calculations reveal that the aryl Csbnd X bond activation of PhX by isomer A involves several mechanistic pathways. Are the suspected structural isomers of the copper species resolvable via TWIMS-MS? If so, what type of reactivity does each isomer have toward hydrocarbons? Further, the ability to selectively activate aryl halides is highly sought-after in order to carry out selective functionalizations. The halogen exchange of X is a desirable reaction and can be mediated by copper catalysts [56-58]. As well known, the Csbnd F and Csbnd Cl bonds are more stable than the Csbnd Br and Csbnd I bonds, the latter being more reactive and thus used more often in organic transformations. An understanding of the underlying mechanisms is thus key to using these underutilized substrates in catalytic reactions.Thus we also address the question: Can any isomer-separated reactive copper oxo species also activate other strong bonds, such as the Csbnd X bonds in aryl halides (PhX)? In addition, we carry out careful electronic structure calculations in order to gain additional mechanistic insight into the mechanism(s) of halogen-atom and O-atom transfer reactions

  19. Pharmacokinetics and cell trafficking dynamics of 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol hydrochloride (FTY720) in cynomolgus monkeys after single oral and intravenous doses.

    PubMed

    Li, Hongshan; Meno-Tetang, Guy M L; Chiba, Kenji; Arima, Noriyuki; Heining, Peter; Jusko, William J

    2002-05-01

    The pharmacokinetics and cell trafficking dynamics of 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol hydrochloride (FTY720), a novel immunosuppressive agent, were examined in cynomolgus monkeys (three males and three females). After single doses of 0.1 mg/kg p.o. or i.v. bolus and 1 mg/kg p.o. were administered to the animals, the concentrations of FTY720, and the numbers of lymphocytes, CD20+CD2-B cells, and CD2+CD20-T cells in blood were measured over 23 days. A linear three-compartment model characterized the time course of FTY720 concentrations with a terminal half-life of about 31 h, clearance of about 0.53 l/h/kg, and bioavailability of about 38%. The dynamic responses were not area under the curve (or dose) proportional for either males or females. An indirect response model with a distribution pool captured the cell trafficking data for all doses for each cell type, where initial blood counts (R(0)) were about 7650, 2100, and 5250 cells/microl; maximum fractional inhibition (I(max)) about 0.88, 0.85, and 0.91; influx (k(in)) about 6014, 1312, and 5662 cells/microl/h; efflux (k(out)) about 0.798, 0.555, and 1.08 h(-1); intercompartmental k(cp) about 0.134, 0.192, and 0.082 h(-1); and intercompartmental k(pc) rate constants about 3.9 x 10(-4), and 0.016 and 8.9 x 10(-6) h(-1) for lymphocytes, B cells, and T cells, respectively. The inhibition concentration IC(50) was about 0.48 microg/l for all cells, which was remarkably low. The apparent distribution volumes of peripheral pool (V(p)) were markedly larger than blood volume (V(b)) for all cells. The I(max) for cell trafficking was achieved at doses smaller than that producing graft protection, indicating stronger central than peripheral effects of this drug. The profound cell trafficking effects of FTY720 can be readily captured and interpreted with an extended indirect response model. PMID:11961052

  20. Investigation of Compton Profile of Molecular Propane

    NASA Astrophysics Data System (ADS)

    Mei, Xiao-Xun; Zhao, Xiao-Li; Xu, Long-Quan; Liu, Ya-Wei; Kang, Xu; Yan, Shuai; Ni, Dong-Dong; Yang, Ke; Zhu, Lin-Fan

    2016-09-01

    Not Available Supported by the National Natural Science Foundation of China under Grant Nos U1332204, 11274291 and 11504361, and the experiment was carried out in a beam time approved by Shanghai synchrotron radiation facility under Proposal Nos 11sr0210, 12sr0009 and 13SRBL15U15487.

  1. 77 FR 31842 - Thrifty Propane, Inc.

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-05-30

    ... Complaint Take notice that on May 22, 2012, pursuant to section 15(7) of the Interstate Commerce Act, 49 U.S... served on the Complainants. The Commission encourages electronic submission of protests and interventions in lieu of paper using the ``eFiling'' link at http://www.ferc.gov . Persons unable to...

  2. 21 CFR 184.1655 - Propane.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... suitable for its intended use. (c) In accordance with § 184.1(b)(1), the ingredient is used in food with no... recognized as safe (GRAS) as a direct human food ingredient is based upon the following current good... defined in § 170.3(o)(25) of this chapter. (2) The ingredient is used in food at levels not to...

  3. 21 CFR 184.1655 - Propane.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... suitable for its intended use. (c) In accordance with § 184.1(b)(1), the ingredient is used in food with no... recognized as safe (GRAS) as a direct human food ingredient is based upon the following current good... defined in § 170.3(o)(25) of this chapter. (2) The ingredient is used in food at levels not to...

  4. 21 CFR 184.1655 - Propane.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... suitable for its intended use. (c) In accordance with § 184.1(b)(1), the ingredient is used in food with no... recognized as safe (GRAS) as a direct human food ingredient is based upon the following current good... defined in § 170.3(o)(25) of this chapter. (2) The ingredient is used in food at levels not to...

  5. 21 CFR 184.1655 - Propane.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... use. (c) In accordance with § 184.1(b)(1), the ingredient is used in food with no limitations other... safe (GRAS) as a direct human food ingredient is based upon the following current good manufacturing... in § 170.3(o)(25) of this chapter. (2) The ingredient is used in food at levels not to exceed...

  6. 21 CFR 184.1655 - Propane.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... suitable for its intended use. (c) In accordance with § 184.1(b)(1), the ingredient is used in food with no... recognized as safe (GRAS) as a direct human food ingredient is based upon the following current good... defined in § 170.3(o)(25) of this chapter. (2) The ingredient is used in food at levels not to...

  7. Propane Green Autogas Solutions Act of 2011

    THOMAS, 112th Congress

    Sen. Cardin, Benjamin L. [D-MD

    2011-05-26

    05/26/2011 Read twice and referred to the Committee on Finance. (text of measure as introduced: CR S3442) (All Actions) Tracker: This bill has the status IntroducedHere are the steps for Status of Legislation:

  8. Thermodynamic properties and ideal-gas enthalpies of formation for 2-aminoisobutyric acid (2-methylalanine), acetic acid, (Z)-5-ethylidene-2-norbornene, mesityl oxide (4-methyl-3-penten-2-one), 4-methylpent-1-ene, 2,2{prime}-bis(phenylthio)propane, and glycidyl phenyl ether (1,2-epoxy-3-phenoxypropane)

    SciTech Connect

    Steele, W.V.; Chirico, R.D.; Cowell, A.B.; Knipmeyer, S.E.; Nguyen, A.

    1997-11-01

    The results of a study aimed at improvement of group-contribution methodology for estimation of thermodynamic properties of organic substances are reported. Specific weaknesses where particular group-contribution terms were unknown, or estimated because of lack of experimental data, are addressed by experimental studies of enthalpies of combustion in the condensed phase, vapor-pressure measurements, and differential scanning calorimetric (DSC) heat-capacity measurements. Ideal-gas enthalpies of formation of acetic acid, (Z)-5-ethylidene-2-norbornene, mesityl oxide (4-methyl-3-penten-2-one), 4-methylpent-1-ene, glycidyl phenyl ether (1,2-epoxy-3-phenoxypropane), and 2,2{prime}-bis(phenylthio)propane are reported. An enthalpy of formation of 2-aminoisobutyric acid (2-methylalanine) in the crystalline phase was determined. Using a literature value for the enthalpy of sublimation of 2-aminoisobutyric acid, a value for the ideal-gas enthalpy of formation was derived. An enthalpy of fusion was determined for 2,2{prime}-bis(phenylthio)propane. Two-phase (solid + vapor) or (liquid + vapor) heat capacities were determined from 300 K to the critical region or earlier decomposition temperature for all the compounds except acetic acid. For mesityl oxide and 4-methylpent-1-ene, critical temperatures and critical densities were determined from the DSC results and corresponding critical pressures derived from the fitting procedures. Group-additivity parameters and ring strain energies useful in the application of group-contribution correlations were derived.

  9. Biological and Abiotic Transformations of Ethylene Dibromide and 1,2-Dichloroethane in Ground Water at Leaded Gasoline Spill Sites

    EPA Science Inventory

    Tetra-ethyl lead was widely used in leaded automobile gasoline from 1923 until 1987. To prevent lead deposits from fouling the engine, 1,2-dibromoethane (EDB) and 1,2-dichloroethane (1,2-DCA) were added to the gasoline to act as lead scavengers. The Maximum Contaminant Levels...

  10. Biodegradation of ethylene dibromide (1,2-dibromoethane [EDB]) in microcosms simulating in situ and biostimulated conditions.

    PubMed

    McKeever, Robert; Sheppard, Diane; Nüsslein, Klaus; Baek, Kyung-Hwa; Rieber, Khalil; Ergas, Sarina J; Forbes, Rose; Hilyard, Mark; Park, Chul

    2012-03-30

    Although 1,2-dibromoethane (EDB) is a common groundwater contaminant, there is the lack of knowledge surrounding EDB biodegradation, especially under aerobic conditions. We have performed an extensive microcosm study to investigate the biodegradation of EDB under simulated in situ and biostimulated conditions. The materials for soil microcosms were collected from an EDB-contaminated aquifer at the Massachusetts Military Reservation in Cape Cod, MA. This EDB plume has persisted for nearly 40 years in both aerobic and anaerobic EDB zones of the aquifer. Microcosms were constructed under environmentally relevant conditions (field EDB and DO concentrations; incubated at 12°C). The results showed that natural attenuation occurred under anaerobic conditions but not under aerobic conditions, explaining why aerobic EDB contamination is so persistent. EDB degradation rates were greater under biostimulated conditions for both the aerobic and anaerobic microcosms. Particularly for aerobic biostimulation, methane-amended microcosms degraded EDB, on average, at a first order rate eight times faster than unamended microcosms. The best performing replicate achieved an EDB degradation rate of 7.0 yr(-1) (half-life (t(1/2))=0.10 yr). Residual methane concentrations and the emergence of methanotrophic bacteria, measured by culture independent bacterial analysis, provided strong indications that EDB degradation in aerobic methane-amended microcosms occurred via cometabolic degradation. These results indicate the potential for enhanced natural attenuation of EDB and that methane could be considered co-substrate for EDB bioremediation for the EDB-contaminated groundwater in aerobic zone.

  11. Approach to vicinal t-Boc-amino dibromides via catalytic aminobromination of nitrostyrenes without using chromatography and recrystallization.

    PubMed

    Sun, Hao; Han, Jianlin; Kattamuri, Padmanabha V; Pan, Yi; Li, Guigen

    2013-02-01

    A 1.0 mol % amount of K(3)PO(4)·3H(2)O was found to catalyze aminohalogenation reaction of nitrostyrenes with N,N-dibromo-tert-butylcarbamate (t-Boc-NBr(2)) in a dichloroethane system. Good to excellent yields and complete regioselectivity have been achieved by taking advantage of the GAP workup without using traditional purification techniques such as column chromatography and recrystallization. Anew mechanism is proposed involving radical and ionic catalytic cycles and an intramolecular migration.

  12. Synthesis and X-ray crystal structure of isomeric pyridine-based leuco-TAM dyes, 2,2-(2-(pyridinyl)propane-1,3-diylidene)bis(5-chloro-1,3,3-trimethyl indoline) derivatives and unusual stability of 4-pyridinyl compound

    NASA Astrophysics Data System (ADS)

    Ma, So-Young; Keum, Sam-Rok

    2013-09-01

    The solid-state structures and unequivocal stereochemistries of isomeric pyridine-based leuco-triarylmethane (LTAM) dyes 2,2‧-(2-(pyridin-4 or 3-yl)propane-1,3-diylidene)bis(5-chloro-1,3,3-trimethylindoline) derivatives were established by X-ray crystallography. Surprisingly, the EE isomer was formed for the 4-pyridinyl compound, whereas the 3-pyridinyl compound formed ZE isomers. In addition, the latter have a so-called three-bladed propeller conformation, whereas the former possess a Y-shaped conformation. These pyridine-based LTAM compounds stack to form a dimer, adopting either an orthorhombic, with Pcmn space group, or monoclinic crystal system with P21/n space group in the crystal unit cell.

  13. Crystal structures of {[Cu(Lpn)2][Fe(CN)5(NO)]·H2O}n and {[Cu(Lpn)2]3[Cr(CN)6]2·5H2O}n [where Lpn = (R)-propane-1,2-di­amine]: two heterometallic chiral cyanide-bridged coordination polymers

    PubMed Central

    Sereda, Olha; Stoeckli-Evans, Helen

    2015-01-01

    The title compounds, catena-poly[[[bis­[(R)-propane-1,2-di­amine-κ2 N,N′]copper(II)]-μ-cyanido-κ2 N:C-[tris­(cyanido-κC)(nitroso-κN)iron(III)]-μ-cyanido-κ2 C:N] monohydrate], {[Cu(Lpn)2][Fe(CN)5(NO)]·H2O}n, (I), and poly[[hexa-μ-cyanido-κ12 C:N-hexa­cyanido-κ6 C-hexa­kis­[(R)-propane-1,2-di­amine-κ2 N,N′]dichromium(III)tricopper(II)] penta­hydrate], {[Cu(Lpn)2]3[Cr(CN)6]2·5H2O}n, (II) [where Lpn = (R)-propane-1,2-di­amine, C3H10N2], are new chiral cyanide-bridged bimetallic coordination polymers. The asymmetric unit of compound (I) is composed of two independent cation–anion units of {[Cu(Lpn)2][Fe(CN)5)(NO)]} and two water mol­ecules. The FeIII atoms have distorted octa­hedral geometries, while the CuII atoms can be considered to be penta­coordinate. In the crystal, however, the units align to form zigzag cyanide-bridged chains propagating along [101]. Hence, the CuII atoms have distorted octa­hedral coordination spheres with extremely long semicoordination Cu—N(cyanido) bridging bonds. The chains are linked by O—H⋯N and N—H⋯N hydrogen bonds, forming two-dimensional networks parallel to (010), and the networks are linked via N—H⋯O and N—H⋯N hydrogen bonds, forming a three-dimensional framework. Compound (II) is a two-dimensional cyanide-bridged coordination polymer. The asymmetric unit is composed of two chiral {[Cu(Lpn)2][Cr(CN)6]}− anions bridged by a chiral [Cu(Lpn)2]2+ cation and five water mol­ecules of crystallization. Both the CrIII atoms and the central CuII atom have distorted octa­hedral geometries. The coordination spheres of the outer CuII atoms of the asymmetric unit can be considered to be penta­coordinate. In the crystal, these units are bridged by long semicoordination Cu—N(cyanide) bridging bonds forming a two-dimensional network, hence these CuII atoms now have distorted octa­hedral geometries. The networks, which lie parallel to (10-1), are linked via O—H⋯O, O—H⋯N, N—H⋯O and

  14. Crystal structure of 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo­cyclo­hexa-1,4-dien-1-yl)hepta­noate 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium monohydrate: a new solid form of seratrodast

    PubMed Central

    Lou, Benyong

    2014-01-01

    In the title hydrated salt, C4H12NO3 +·C22H25O4 −·H2O, seratrodast [systematic name: 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo­cyclo­hexa-1,4-dien-1-yl)hepta­noic acid] crystallized with trometamol [systematic name: 2-amino-2-(hydroxyméth­yl)propane-1,3-diol] to form a monohydrated salt form of seratrodast. The carb­oxy­lic acid group of seratrodast has transferred its proton to the amino N atom of trometamol. In the crystal, the trometamol cations are linked to the water mol­ecules and to each other by N—H⋯O and O—H⋯O hydrogen bonds forming sheets parallel to (100). The seratrodast anions are linked to both sides of these sheets by O—H⋯O and C—H⋯O hydrogen bonds, forming a three-layer two-dimensional structure. After forming the title salt, the solubility of seratrodast was found to be greatly improved. PMID:25484659

  15. Structural analysis of (S)-1-((1H-benzo[d][1,2,3]triazol-1-yl)oxy)-3-(4-(2-methoxyphenyl)piperazin-1-yl)propan-2-ol and binding mechanism with α1A-adrenoceptor: TDDFT calculations, X-ray crystallography and molecular docking

    NASA Astrophysics Data System (ADS)

    Xu, Wei; Shao, Binhao; Xu, Xingjie; Jiang, Renwang; Yuan, Mu

    2016-02-01

    The title compound, (S)-1-((1H-benzo[d][1,2,3]triazol-1-yl)oxy)-3-(4-(2-methoxyphenyl)piperazi-n-1-yl)propan-2-ol (1), belongs to a class of arylpiperazine derivatives that exhibit good bioactivity against α1A-adrenoceptor. The current study describes conformational analysis of five energy-minimized conformers obtained at the B3LYP/6-31G(d) level of theory. The characteristically positive rotatory strengths at an excitation energy of 256 nm were achieved using time-dependent density functional theory (TDDFT) calculations. Molecular orbital studies clearly elucidated the origins of electronic transitions at 256 nm. The absolute configuration of (S)-1 was unambiguously determined by single crystal X-ray diffraction analysis. Molecular docking solved the binding mode of 1-α1A-adrenoceptor complex. This work can serve as a basis for better drug design of highly selective antagonists with chirality.

  16. Enantioselective 1,3-dipolar cycloaddition of nitrones to methacrolein catalyzed by (eta5-C5Me5)M{(R)-prophos} containing complexes (M = Rh, Ir; (R)-prophos = 1,2-bis(diphenylphosphino)propane): on the origin of the enantioselectivity.

    PubMed

    Carmona, Daniel; Lamata, M Pilar; Viguri, Fernando; Rodríguez, Ricardo; Oro, Luis A; Lahoz, Fernando J; Balana, Ana I; Tejero, Tomás; Merino, Pedro

    2005-09-28

    The rhodium and iridium Lewis-acid cations [(eta(5)-C(5)Me(5))M{(R)-Prophos}(H(2)O)](2+) ((R)-Prophos = 1,2-bis(diphenylphosphino)propane) efficiently catalyze the enantioselective 1,3-dipolar cycloaddition of nitrones to methacrolein. Reactions occur with perfect endo selectivity and with enantiomeric excesses up to 96%. Intermediates [(eta(5)-C(5)Me(5))M{(R)-Prophos}(methacrolein)](SbF(6))(2) (M = Rh (3), Ir (4)) have been spectroscopically and crystallographically characterized. The nitrone complexes [(eta(5)-C(5)Me(5))M{(R)-Prophos}(nitrone)](SbF(6))(2) (M = Rh, nitrone = 1-pyrrolidine N-oxide (5), 2,3,4,5,-tetrahydropyridine N-oxide (6), 3,4-dihydroisoquinoline N-oxide (7); M = Ir, nitrone = 1-pyrrolidine N-oxide (8)) have been isolated and characterized including the X-ray crystal structure of compounds 6 and 8. The equilibrium between methacrolein and nitrone complexes is also studied. [Ir]-adduct complexes are detected by (31)P NMR spectroscopy. A catalytic cycle involving [M]-methacrolein, [M]-nitrone, as well as [M]-adduct species is proposed, the first complex being the true catalyst. The absolute configuration of the adduct 4-methyl-2-N,3-diphenyl-isoxazolidine-4-carbaldehyde (9) was determined through its (S)-(-)-alpha-methylbenzylamine derivative diastereomer. Structural parameters strongly suggest that the disposition of the methacrolein in 3 and 4 is fixed by CH/pi attractive interactions between the pro-S phenyl ring of the Ph(2)PCH(CH(3)) moiety of the (R)-Prophos ligand and the CHO aldehyde proton. Proton NMR data indicate that this conformation is maintained in solution. From the structural data and the results of catalysis the origin of the enantioselectivity is discussed. PMID:16173773

  17. Compact propane fuel processor for auxiliary power unit application

    NASA Astrophysics Data System (ADS)

    Dokupil, M.; Spitta, C.; Mathiak, J.; Beckhaus, P.; Heinzel, A.

    With focus on mobile applications a fuel cell auxiliary power unit (APU) using liquefied petroleum gas (LPG) is currently being developed at the Centre for Fuel Cell Technology (Zentrum für BrennstoffzellenTechnik, ZBT gGmbH). The system is consisting of an integrated compact and lightweight fuel processor and a low temperature PEM fuel cell for an electric power output of 300 W. This article is presenting the current status of development of the fuel processor which is designed for a nominal hydrogen output of 1 k Wth,H2 within a load range from 50 to 120%. A modular setup was chosen defining a reformer/burner module and a CO-purification module. Based on the performance specifications, thermodynamic simulations, benchmarking and selection of catalysts the modules have been developed and characterised simultaneously and then assembled to the complete fuel processor. Automated operation results in a cold startup time of about 25 min for nominal load and carbon monoxide output concentrations below 50 ppm for steady state and dynamic operation. Also fast transient response of the fuel processor at load changes with low fluctuations of the reformate gas composition have been achieved. Beside the development of the main reactors the transfer of the fuel processor to an autonomous system is of major concern. Hence, concepts for packaging have been developed resulting in a volume of 7 l and a weight of 3 kg. Further a selection of peripheral components has been tested and evaluated regarding to the substitution of the laboratory equipment.

  18. Catalytic Combustion of Propane/Air Mixtures on Platinum

    NASA Technical Reports Server (NTRS)

    Bruno, C.; Walsh, P. M.; Santavicca, D. A.; Sinha, N.; Bracco, F. V.; Yaw, Y.

    1983-01-01

    A honeycomb catalyst of platinum (4.2 kg/cu m loading) over cordierite, with gamma-alumina washcoat, a cross section of 2.4 x 2.4 sq cm, a length of 7.6 cm, and a characteristic channel diameter of 1.4 mm is used as a steady flow reactor. Measurements are made with C3H8/air mixtures at 650 to 800 K inlet temperatures, 110 KPa pressure, 10 to 40 m/s inlet velocity, 0.19 to 0.32 equivalence ratios, and approximately 1.5 mole percent water content. The measured quantities are the substrate tempeature at ten axial locations, the exhaust gas temperature, the exhaust concentrations of CO, CO2, O2, and total hydrocarbons, and the pressure drop across the monolith. The measured quantities are compared with those computed with a two-dimensional steady-state model for axial and radial convection and diffusion of mass, momentum, energy and homogeneous (three overall reactions) and heterogeneous (infinitely fast) reactions. It is found that, under the tested conditions, most of the fuel is converted to CO2 and H2O at the surface. Gas-phase reactions tend rapidly to become more important as the temperature and equivalence ratio are increased and the flow velocity is decreased. Surface fuel conversion is much more rapid than fuel diffusion, resulting in diffusion-controlled oxidation.

  19. PROPANE BIOSTIMULATIOIN BARRIER DEMONSTRATED IN MTBE-CONTAMINATED GROUND WATER

    EPA Science Inventory

    The U.S. EPA's National Risk Management Research Laboratory (NRMRL) and U.S. Navy recently completed a technology demonstration at the Naval Base Ventura County (NBVC) in Port Hueneme, CA. The demonstration was undertaken to determine whether biodegradation is reducing intrinsic...

  20. Crystal structure of poly[[μ2-di­aqua-di­aqua-μ2-l-proline-κ2 O:O′-strontium] dibromide

    PubMed Central

    Sathiskumar, Selladurai; Balakrishnan, Thangavelu; Ramamurthi, Kandasamy; Thamotharan, Subbiah

    2015-01-01

    In the title coordination polymer, {[Sr(C5H9NO2)(H2O)4]Br2}n, the proline mol­ecule exists in a zwitterionic form with one of the ring C atoms disordered over two sites [site-occupancy factors = 0.57 (6):0.43 (6)]. The SrII ion is nine-coordinated by six water O atoms, two monodentate and two μ2-bridging, and three carboxyl­ate O atoms of the proline ligands, with two bridging [Sr—O range = 2.524 (4)–2.800 (5) Å]. In the crystal, there is no direct inter­action between the proline mol­ecules. However, the proline and water mol­ecules associate with the bromide counter-anions through a number of inter­molecular O—H⋯Br and N—H⋯Br hydrogen-bonding inter­actions, giving a three-dimensional supra­molecular structure. PMID:26594406

  1. Effect of Diquat (1,1′-Ethylene-2,2′-Dipyridylium Dibromide) on the Photosynthetic Growth of Rhodospirillum rubrum

    PubMed Central

    Kaneshiro, Tsuneo; Zweig, Gunter

    1965-01-01

    Diquat (2 × 10-4m) inhibited both aerobic and anaerobic growth of Rhodospirillum rubrum. With photosynthetic cultures, diquat affected the synthesis of bacteriochlorophyll more readily than cell mass (turbidity). Diquat retarded the synthesis of bacteriochlorophyll and some protein more readily than that of other cellular constituents such as ribonucleic acid, deoxyribonucleic acid, and cell mass. With cells deficient in phosphate, diquat inhibited the uptake-conversion of inorganic phosphate completely only when 3-(3,4-dichlorophenyl)-1,1′-dimethyl urea and ascorbate were also present. PMID:5866040

  2. (2R,2′S)-2,2′-Bi­piperidine-1,1′-diium dibromide

    PubMed Central

    Yang, Guang; Noll, Bruce C.; Rybak-Akimova, Elena V.

    2013-01-01

    The title compound, C10H22N2 2+·2Br−, was synthesized via reduction of 2,2′-dipyridyl with Ni–Al alloy/KOH, followed by separation of diastereoisomers (meso and rac) by recrystallization from ethanol. Although the two bridging C atoms are optically active, these two chiral centers adopt an (S,R) configuration; thus, the title compound contains an achiral meso form of 2,2′-bi­piperidine. Both of the piperidinium rings adopt chair conformations, and the two N atoms are trans to each other; an inversion center is located in the mid-point of the central C—C bond. The conformation of the organic moiety resembles that of 1,1′-bi(cyclo­hexa­ne). The organic di­ammonium cations are linked to each other through hydrogen bonding with bromide counter-ions, each of which forms two hydrogen bonds (N—H⋯Br) with two adjacent organic cations, thus linking the latter together in sheets parallel to (100). PMID:24454135

  3. Optical characteristics and parameters of the plasma of a barrier discharge excited in a mixture of mercury dibromide vapor with nitrogen and helium

    SciTech Connect

    Malinina, A. A.; Guivan, N. N.; Shimon, L. L.; Shuaibov, A. K.

    2010-09-15

    Results are presented from experimental and theoretical studies of the optical characteristics and parameters of the plasma of an atmospheric-pressure barrier discharge excited in a HgBr{sub 2}: N{sub 2}: He mixture, which was used as the working medium of a small-size (with a radiation area of 8 cm{sup 2}) exciplex gas-discharge radiation source. The mean radiation power of 87 mW was achieved at the radiation wavelength {lambda}{sub max} = 502 nm. The electron energy distribution function, the transport characteristics, the specific energy lost in the processes involving electrons, the electron temperature and density, and the rate constants of elastic and inelastic electron scattering by the components of the working mixture were calculated as functions of the reduced field E/N. The plasma of a discharge excited in a HgBr{sub 2}: N{sub 2}: He mixture can be used as the working medium of a small-size blue-green radiation source. Such a source can find application in biotechnology, photonics, and medicine and can also be used to manufacture gas-discharge display panels.

  4. 75 FR 60114 - Notice of Receipt of Requests for Amendments to Delete Uses in Certain Pesticide Registrations

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-09-29

    ... Ingredient Delete from Label 228-675 Nufarm Diquat SPC 2 L Diquat dibromide Soybeans and Sorghum Herbicide... Admiral Liquid Acid Blue 9 Fish Farms and Fish Hatcheries 82633-2 Sharda Diquat Diquat dibromide Sorghum (seed crop Concentrate only) and Soybean (seed crop only) 83529-13 Diquash Ag Diquat dibromide...

  5. Crystal structure of (±)-[trans-cyclo­hexane-1,2-diylbis(aza­nedi­yl)]di­phospho­nium dibromide dichloro­methane disolvate

    PubMed Central

    Rodríguez Álvarez, Aurora; Tlahuext, Hugo; Grévy, Jean-Michel

    2016-01-01

    The cation of the title solvated salt, C42H42N2P2 2+·2Br−·2CH2Cl2, lies on a crystallographic twofold rotation axis. The 1,2-di­amino­cyclo­hexane fragment has a chair conformation with two N atoms in a transoid conformation [N—C—C—N = 163.4 (2)°]. In the crystal, the cations are linked to the anions by N—H⋯Br and C—H⋯Br hydrogen bonds, forming a chain structure along the c axis. The di­chloro­methane mol­ecule takes part in the hydrogen-bond network through C—H⋯π and C—H⋯Br inter­actions. PMID:27375889

  6. Assessment of ethylene dibromide, dibromochloropropane, other volatile organic compounds, radium isotopes, radon, and inorganic compounds in groundwater and spring water from the Crouch Branch and McQueen Branch aquifers near McBee, South Carolina, 2010-2012

    USGS Publications Warehouse

    Landmeyer, James E.; Campbell, Bruce G.

    2014-01-01

    The water-quality data collected between 2010 and 2012, in conjunction with groundwater flow pathways and historical aerial photographs of land uses near McBee, indicate an area where EDB-, DBCP-, 1,2-dichloropropane-, 1,3-dichloropropane-, and carbon disulfide-contaminated groundwater exists in the Crouch Branch aquifer in the Cedar Creek Basin and north of McBee and is most likely related to the past use of these compounds between the early 1900s and the 1980s as soil fumigants in predominately agricultural areas north of McBee. The highest EDB concentration detected (18.6 micrograms per liter) during the 3-year study was in a groundwater sample from an agricultural-supply well located north of McBee. Other VOCs, such as dichloromethane and 1,1,2-trichloroethane, also were detected in groundwater samples from this EDB-contaminated agricultural-supply well but are from unknown source(s). The fact that the agricultural area north of McBee is located in a recharge area for the Crouch Branch aquifer most likely facilitated the groundwater contamination in this area. DBCP-contaminated groundwater detected in three public-supply wells south of McBee in the deeper McQueen Branch aquifer appears to be related to past soil fumigation practices that used DBCP in agricultural areas located south of McBee. One of the three DBCP-contaminated public-supply wells also contained EDB, most likely present in groundwater due to the release of leaded gasolines that contained EDB as a fuel additive between the 1940s and 1970s. A gasoline-source of EDB, rather than a soil-fumigation source, is supported by the co-detection in groundwater from the well of 1,2-dichloroethane, a lead scavenger compound also added to leaded gasoline. Groundwater pumped from two public-supply wells located within and to the east of the McBee town limits and one domestic-supply well east of McBee was characterized by the detection of 1,1-dichloroethane, trichloroethylene, 1,1-dichloroethylene, and perchloroethylene. Groundwater flow pathways determined for these wells indicate that the potential source(s) of these compounds detected in one public-supply well and the domestic-supply well may be located within the McBee town limits, and that the potential source(s) of these compounds detected in the public-supply well to the east of McBee may be located in an area north of McBee formerly used for agriculture, but used for industry since at least the 1970s. Radium isotopes (defined in this study as the sum of radium-226 and radium-228 concentrations) and radon were detected in all wells sampled in the McBee area between 2010 and 2012. Wells characterized by radium isotope concentrations in groundwater that exceeded the MCL of 5.0 picocuries per liter were also characterized by specific conductance values greater than 30 microsiemens per centimeter and clustered north of McBee in a predominately agricultural area, and in agricultural and urban areas located within and east of McBee. The elevated specific conductance values measured in groundwater from these wells most likely are due to recharge by water mineralized by fertilizer application in agricultural areas, or due to the recharge by water mineralized by septic-tank drain-field effluent near urban areas. Radon was detected in groundwater from all wells sampled, and radon concentrations in groundwater from three monitoring wells exceeded the proposed MCL of 300 picocuries per liter. Concentrations of uranium in groundwater in the McBee area increased with increased groundwater-sample depth, most likely due to the proximity of the sample-collection location to basement rock that contains uranium-bearing minerals.

  7. Crystal structure of N-[3-(di-methyl-aza-nium-yl)prop-yl]-N',N',N'',N''-tetra-methyl-N-(N,N,N',N'-tetra-methyl-form-am-id-in-ium-yl)-guanidinium dibromide hydroxide monohydrate.

    PubMed

    Tiritiris, Ioannis; Kantlehner, Willi

    2015-12-01

    The asymmetric unit of the title hydrated salt, C15H37N6 (3+)·2Br(-)·OH(-)·H2O, contains one cation, three partial-occupancy bromide ions, one hydroxide ion and one water mol-ecule. Refinement of the site-occupancy factors of the three disordered bromide ions converges with occupancies 0.701 (2), 0.831 (2) and 0.456 (2) summing to approximately two bromide ions per formula unit. The structure was refined as a two-component inversion twin with volume fractions 0.109 (8):0.891 (8) for the two domains. The central C3N unit of the bis-amidinium ion is linked to the aliphatic propyl chain by a C-N single bond. The other two bonds in this unit have double-bond character as have the four C-N bonds to the outer NMe2 groups. In contrast, the three C-N bonds to the central N atom of the (di-methyl-aza-nium-yl)propyl group have single-bond character. Delocalization of the two positive charges occurs in the N/C/N and C/N/C planes, while the third positive charge is localized on the di-methyl-ammonium group. The crystal structure is stabilized by O-H⋯O, N-H⋯Br, O-H⋯Br and C-H⋯Br hydrogen bonds, forming a three-dimensional network. PMID:26870507

  8. Assessment of ethylene dibromide, dibromochloropropane, other volatile organic compounds, radium isotopes, radon, and inorganic compounds in groundwater and spring water from the Crouch Branch and McQueen Branch aquifers near McBee, South Carolina, 2010-2012

    USGS Publications Warehouse

    Landmeyer, James E.; Campbell, Bruce G.

    2014-01-01

    The water-quality data collected between 2010 and 2012, in conjunction with groundwater flow pathways and historical aerial photographs of land uses near McBee, indicate an area where EDB-, DBCP-, 1,2-dichloropropane-, 1,3-dichloropropane-, and carbon disulfide-contaminated groundwater exists in the Crouch Branch aquifer in the Cedar Creek Basin and north of McBee and is most likely related to the past use of these compounds between the early 1900s and the 1980s as soil fumigants in predominately agricultural areas north of McBee. The highest EDB concentration detected (18.6 micrograms per liter) during the 3-year study was in a groundwater sample from an agricultural-supply well located north of McBee. Other VOCs, such as dichloromethane and 1,1,2-trichloroethane, also were detected in groundwater samples from this EDB-contaminated agricultural-supply well but are from unknown source(s). The fact that the agricultural area north of McBee is located in a recharge area for the Crouch Branch aquifer most likely facilitated the groundwater contamination in this area. DBCP-contaminated groundwater detected in three public-supply wells south of McBee in the deeper McQueen Branch aquifer appears to be related to past soil fumigation practices that used DBCP in agricultural areas located south of McBee. One of the three DBCP-contaminated public-supply wells also contained EDB, most likely present in groundwater due to the release of leaded gasolines that contained EDB as a fuel additive between the 19

  9. Crystal structure of 2-aza­niumyl-3-bromo-6-oxo-5,6-di­hydro­pyrido[1,2-a]quinoxalin-11-ium dibromide

    PubMed Central

    Faizi, Md. Serajul Haque; Sharkina, Natalia O.; Iskenderov, Turganbay S.

    2015-01-01

    The title salt, C12H10BrN3O2+·2Br−, was synthesized from the reaction of N 1,N 4-bis­(pyridin-2-yl­methyl­idene)benzene-1,4-di­amine and bromine in a methanol solution. All non-H atoms of the 2-aza­niumyl-3-bromo-6-oxo-5,6-di­hydro­pyrido[1,2-a]quinoxalin-11-ium cation are nearly coplanar, the maximum deviation being 0.114 (4) Å. In the crystal, the cations and anions are linked through N—H⋯Br hydrogen bonds and weak C—H⋯Br inter­actions, forming a three-dimensional supra­molecular architecture. A short Br⋯Br contact [3.3088 (9) Å] is observed in the crystal. PMID:25705482

  10. 1,1'-Methyl-enebis[3-(2,6-diiso-propyl-phen-yl)-3,4,5,6-tetra-hydro-pyrimidin-1-ium] dibromide ethanol monosolvate monohydrate.

    PubMed

    Bian, Huanyu; Yang, Liangru; Yuan, Jinwei; Mao, Pu; Xiao, Yongmei

    2013-01-01

    In the title methyl-ene-bridged di(tetra-hydro-pyrimidinium) salt, C33H50N4 (2+)·2Br(-)·C2H5OH·H2O, the two tetra-hydro-pyrimidinium rings have envelope conformations with the central CH2 C atom as the flap. Their mean planes are inclined to one another by 73.31 (13)° and the attached benzene rings are inclined to one another by 67.39 (15)°. The methylene-C-N bond lengths in the tetra-hydro-pyrimidinium rings are 1.314 (3) and 1.304 (3) Å, values typical for C=N double bonds. The distances between the methyl-ene-bridge C atom and the linked tetra-hydro-pyrimidinium N atom are 1.457 (3) and 1.465 (3) Å, values typical for C-N single bonds. The mol-ecules co-crystallized with H2O and EtOH mol-ecules from the solvent. In the crystal, there is a zigzag chain along [010] of water mol-ecules linked by one of the Br(-) anions via O-H⋯Br hydrogen bonds. The second Br(-) anion is hydrogen bonded (O-H⋯Br) to the ethanol solvent mol-ecule. There are also a number of C-H⋯Br and C-H⋯O hydrogen bonds present, leading to the formation of a two-dimensional network lying parallel to the bc plane. PMID:24427021

  11. SUPPRESSION OF COKE FORMATION IN THE STEAM CRACKING OF ALKANES: ETHANE AND PROPANE. (R825412)

    EPA Science Inventory

    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...

  12. Cummins Engine Company B5.9 Propane Engine Development, Certification, and Demonstration Project

    SciTech Connect

    The ADEPT Group, Inc.

    1998-12-18

    The objective of this project was to successfuly develop and certify an LPG-dedicated medium-duty original equipment manufacturer (OEM) engine that could be put into production. The engine was launched into production in 1994, and more than 800 B5.9G engines are now in service in the United States and abroad. This engine is now offered by more than 30 bus and truck OEMs.

  13. Field pilot tests for tertiary recovery using butane and propane injection

    SciTech Connect

    Pacheco, E.F.; Garcia, A.I.

    1981-01-01

    This work describes a pilot project for tertiary recovery of liquid hydrocarbons through LPG injection in water-out sections of the Bolivar reservoir in La Pena Field, Santa Cruz, Boliva. The promising results obtained in the initial field miscibility tests, as well as the results from a mathematical model built to stimulate and evaluate the tertiary recovery project, directed subsequent work into a cyclic scheme for enhanced recovery. This scheme is explained and injection production data is presented. Field facilities built to handle both the injected LPG and the produced oil-LPG mixture are described. The oil/LPG ratio and the LPG recovered/injected fraction are the main factors measured in this to make further considerations for a full scale project.

  14. Bay area ordeal; Propane becomes a life-saver for quake victims

    SciTech Connect

    Not Available

    1990-03-01

    This article describes how to LPG marketers in the San Francisco Bay area participated in rescue and relief efforts in the aftermath of the earthquake in October 1989. The efforts included supplying fuel for field kitchens and the Red Cross and informing customers on the proper shutoff of LP gas tanks and valves. An analysis on the merits of seismic automatic shutoff valves is also presented.

  15. Rate constants for the slow Mu + propane abstraction reaction at 300 K by diamagnetic RF resonance.

    PubMed

    Fleming, Donald G; Cottrell, Stephen P; McKenzie, Iain; Ghandi, Khashayar

    2015-08-14

    The study of kinetic isotope effects for H-atom abstraction rates by incident H-atoms from the homologous series of lower mass alkanes (CH4, C2H6 and, here, C3H8) provides important tests of reaction rate theory on polyatomic systems. With a mass of only 0.114 amu, the most sensitive test is provided by the rates of the Mu atom. Abstraction of H by Mu can be highly endoergic, due to the large zero-point energy shift in the MuH bond formed, which also gives rise to high activation energies from similar zero-point energy corrections at the transition state. Rates are then far too slow near 300 K to be measured by conventional TF-μSR techniques that follow the disappearance of the spin-polarised Mu atom with time. Reported here is the first measurement of a slow Mu reaction rate in the gas phase by the technique of diamagnetic radio frequency (RF) resonance, where the amplitude of the MuH product formed in the Mu + C3H8 reaction is followed with time. The measured rate constant, kMu = (6.8 ± 0.5) × 10(-16) cm(3) s(-1) at 300 K, is surprisingly only about a factor of three slower than that expected for H + C3H8, indicating a dominant contribution from quantum tunneling in the Mu reaction, consistent with elementary transition state theory calculations of the kMu/kH kinetic isotope effect.

  16. Phase equilibria and thermodynamic modeling of ethane and propane hydrates in porous silica gels.

    PubMed

    Seo, Yongwon; Lee, Seungmin; Cha, Inuk; Lee, Ju Dong; Lee, Huen

    2009-04-23

    In the present study, we examined the active role of porous silica gels when used as natural gas storage and transportation media. We adopted the dispersed water in silica gel pores to substantially enhance active surface for contacting and encaging gas molecules. We measured the three-phase hydrate (H)-water-rich liquid (L(W))-vapor (V) equilibria of C(2)H(6) and C(3)H(8) hydrates in 6.0, 15.0, 30.0, and 100.0 nm silica gel pores to investigate the effect of geometrical constraints on gas hydrate phase equilibria. At specified temperatures, the hydrate stability region is shifted to a higher pressure region depending on pore size when compared with those of bulk hydrates. Through application of the Gibbs-Thomson relationship to the experimental data, we determined the values for the C(2)H(6) hydrate-water and C(3)H(8) hydrate-water interfacial tensions to be 39 +/- 2 and 45 +/- 1 mJ/m(2), respectively. By using these values, the calculation values were in good agreement with the experimental ones. The overall results given in this study could also be quite useful in various fields, such as exploitation of natural gas hydrate in marine sediments and sequestration of carbon dioxide into the deep ocean.

  17. Simulated consumer exposure to dimethyl ether and propane/butane in hairsprays.

    PubMed

    Hartop, P J; Cook, T L; Adams, M G

    1991-08-01

    Synopsis The potential human exposures from use of dimethyl ether (DME) and 'liquefied petroleum gas'(LPG) arising from use in hairsprays have been assessed. DME and LPG concentrations were measured in the 'breathing zone' of an experimental manikin and an 'accompanying child' designed to simulate human use of hairsprays in a domestic situation and in the breathing zone of a 'stylist' and 'customer' under salon conditions. Results were expressed as the 10 min time weighted average in the air (TWA10) and as the peak concentration in the breathing zone of the 'user'. Following a 10s use of hairspray containing 50% DME or 26% LPG, TWA10 values for an adult user in a closed room (volume 21 m(3)) were on average 114 ppm and 73 ppm respectively. The child TWA10 values were 89 ppm (DME) and 80 ppm (LPG). Leaving the door open during spraying did not significantly alter these values. The peak concentrations measured in the user breathing zone were 1577 ppm of DME and 671 ppm of LPG. Simulated salon use of a hairspray gave a calculated value of 55 ppm DME and 88 ppm LPG for the stylist over an 8 h working period.

  18. Here's some news from the grapevine; Propane use stays high at wineries

    SciTech Connect

    Not Available

    1990-10-01

    Wine making is a highly labor intensive industry. Virtually every step of the way from the harvesting of the grapes to the loading of the crates involves concentration, physical exertion, good judgment, and superb powers of olfactory discrimination. This article describes how LP-gas plays a vital role in the production process at many vineyards and wineries.

  19. Crystal structure of N-(propan-2-yl­carbamo­thio­yl)benzamide

    PubMed Central

    Jasinski, Jerry P.; Akkurt, Mehmet; Mohamed, Shaaban K.; Gad, Mohamed A.; Albayati, Mustafa R.

    2015-01-01

    In the crystal structure of the title compound, C11H14N2OS, the six atoms of the central C2N2OS residue are coplanar (r.m.s. deviation = 0.002 Å), which facilitates the formation of an intra­molecular N—H⋯O hydrogen bond, which closes an S(6) loop. The terminal phenyl ring is inclined with respect to the central plane [dihedral angle = 42.10 (6)°]. The most prominent feature of the crystal packing is the formation of {⋯HNCS}2 synthons resulting in centrosymmetric dimers. PMID:25705507

  20. 27 CFR 21.56 - Formula No. 29.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... intermediates. 551.Acetaldehyde. 552.Other aldehydes. 561.Ethyl ether. 562.Other ethers. 571.Ethylene dibromide. 572.Ethylene gas. 573.Xanthates. 575.Drugs and medicinal chemicals. 579.Other chemicals....

  1. (R)-N-(Ferrocenylmeth-yl)-1-hy-droxy-3-phenyl-propan-2-aminium (E)-but-2-enoate.

    PubMed

    Stěpnička, Petr; Císařová, Ivana

    2011-11-01

    The crystal structure of the title salt, [Fe(C(5)H(5))(C(15)H(19)NO)](C(4)H(5)O(2)), consists of discrete ammonium and carboxyl-ate ions, which associate into infinite chains parallel to [100] by means of N-H⋯O and O-H⋯O inter-actions. These chains are further cross-linked into a three-dimensional network by additional C-H⋯O contacts and by offset π-π stacking inter-actions of inversion-related aromatic rings [centroid-centroid distance = 3.7040 (14) Å]. The mol-ecular parameters of the ionic components are in no way unexpected, the geometry of the ammonium cation being similar to that found in other structurally characterized salts obtained from N-ferrocenylmethyl β-amino-alcohols. The (E)-but-2-enoate anion consists of two approximately planar subunits, viz the delocalized carboxyl-ate unit and the butenyl group (the latter being planar within ca. 0.002 Å), which are mutually rotated by 30.3 (4)°. PMID:22219845

  2. Propylene/propane permeation properties of ethyl cellulose (EC) mixed matrix membranes fabricated by incorporation of nanoporous graphene nanosheets

    PubMed Central

    Yuan, Bingbing; Sun, Haixiang; Wang, Tao; Xu, Yanyan; Li, Peng; Kong, Ying; Niu, Q. Jason

    2016-01-01

    Nanopore containing graphene nanosheets were synthesized by graphene oxide and a reducing agent using a facile hydrothermal treatment in sodium hydroxide media. The as-prepared nanoporous graphene was incorporated into ethyl cellulose (EC) to prepare the mixed matrix membranes (MMMs) for C3H6/C3H8 separation. Transmission electron microscopy (TEM) photograph and X-ray photoelectron spectroscopy (XPS) analysis of nanoporous graphene nanosheets indicated that the structure of nano-pore was irregular and the oxygen-containing groups in the surface were limited. More importantly, the as-prepared MMMs presented better separation performance than that of pristine EC membrane due to simultaneous enhancement of C3H6 permeability and ideal selectivity. The ideal selectivity of the MMMs with 1.125 wt‰ nanoporous graphene content for C3H6/C3H8 increased from 3.45 to 10.42 and the permeability of C3H6 increased from 57.9 Barrer to 89.95 Barrer as compared with the pristine membrane. The presumed facilitated mechanism was that the high specific surface area of nanoporous graphene in polymer matrix increased the length of the tortuous pathway formed by nanopores for the gas diffusion as compared with the pristine graphene nanosheets, and generated a rigidified interface between the EC chains and fillers, thus enhanced the diffusivity selectivity. Therefore, it is expected that nanoporous graphene would be effective material for the C3H6/C3H8 separation. PMID:27352851

  3. Propylene/propane permeation properties of ethyl cellulose (EC) mixed matrix membranes fabricated by incorporation of nanoporous graphene nanosheets

    NASA Astrophysics Data System (ADS)

    Yuan, Bingbing; Sun, Haixiang; Wang, Tao; Xu, Yanyan; Li, Peng; Kong, Ying; Niu, Q. Jason

    2016-06-01

    Nanopore containing graphene nanosheets were synthesized by graphene oxide and a reducing agent using a facile hydrothermal treatment in sodium hydroxide media. The as-prepared nanoporous graphene was incorporated into ethyl cellulose (EC) to prepare the mixed matrix membranes (MMMs) for C3H6/C3H8 separation. Transmission electron microscopy (TEM) photograph and X-ray photoelectron spectroscopy (XPS) analysis of nanoporous graphene nanosheets indicated that the structure of nano-pore was irregular and the oxygen-containing groups in the surface were limited. More importantly, the as-prepared MMMs presented better separation performance than that of pristine EC membrane due to simultaneous enhancement of C3H6 permeability and ideal selectivity. The ideal selectivity of the MMMs with 1.125 wt‰ nanoporous graphene content for C3H6/C3H8 increased from 3.45 to 10.42 and the permeability of C3H6 increased from 57.9 Barrer to 89.95 Barrer as compared with the pristine membrane. The presumed facilitated mechanism was that the high specific surface area of nanoporous graphene in polymer matrix increased the length of the tortuous pathway formed by nanopores for the gas diffusion as compared with the pristine graphene nanosheets, and generated a rigidified interface between the EC chains and fillers, thus enhanced the diffusivity selectivity. Therefore, it is expected that nanoporous graphene would be effective material for the C3H6/C3H8 separation.

  4. Spectroscopy of the tilde A state of NO-alkane complexes (alkane = methane, ethane, propane, and n-butane)

    NASA Astrophysics Data System (ADS)

    Tamé-Reyes, Victor M.; Gardner, Adrian M.; Harris, Joe P.; McDaniel, Jodie; Wright, Timothy G.

    2012-12-01

    We have recorded (1+1) resonance-enhanced multiphoton ionization spectra of complexes formed between NO and the alkanes: CH4, C2H6, C3H8, and n-C4H10. The spectra correspond to the tilde A ← tilde X transition, which is a NO-localized 3s ← 2pπ* transition. In line with previous work, the spectrum for NO-CH4 has well-defined structure, but this is only partially resolved for the other complexes. The spectra recorded in the NO+-alkane mass channels all show a slowly rising onset, followed by a sharp offset, which is associated with dissociation of NO-alkane, from which binding energies in the tilde X and tilde A states are deduced. Beyond this sharp offset, there is a further rise in signal, which is attributed to fragmentation of higher complexes, NO-(alkane)n. Analysis of these features allows binding energies for (NO-alkane) ... alkane to be estimated, and these suggest that in the NO-(alkane)2 complexes, the second alkane molecule is bound to the first, rather than to NO. Calculated structures for the 1:1 complexes are reported, as well as binding energies.

  5. Catalytic dehydrogenation of propane by carbon dioxide: a medium-temperature thermochemical process for carbon dioxide utilisation.

    PubMed

    Du, X; Yao, B; Gonzalez-Cortes, S; Kuznetsov, V L; AlMegren, Hamid; Xiao, T; Edwards, P P

    2015-01-01

    The dehydrogenation of C3H8 in the presence of CO2 is an attractive catalytic route for C3H6 production. In studying the various possibilities to utilise CO2 to convert hydrocarbons using the sustainable energy source of solar thermal energy, thermodynamic calculations were carried out for the dehydrogenation of C3H8 using CO2for the process operating in the temperature range of 300-500 °C. Importantly, the results highlight the enhanced potential of C3H8 as compared to its lighter and heavier homologues (C2H6 and C4H10, respectively). To be utilised in this CO2 utilisation reaction the Gibbs free energy (ΔrGθm) of each reaction in the modelled, complete reacting system of the dehydrogenation of C3H8 in the presence of CO2 also indicate that further cracking of C3H6 will affect the ultimate yield and selectivity of the final products. In a parallel experimental study, catalytic tests of the dehydrogenation of C3H8 in the presence of CO2 over 5 wt%-Cr2O3/ZrO2 catalysts operating at 500 °C, atmospheric pressure, and for various C3H8 partial pressures and various overall GHSV (Gas Hourly Space Velocity) values. The results showed that an increase in the C3H8 partial pressure produced an inhibition of C3H8 conversion but, importantly, a promising enhancement of C3H6 selectivity. This phenomenon can be attributed to competitive adsorption on the catalyst between the generated C3H6 and inactivated C3H8, which inhibits any further cracking effect on C3H6 to produce by-products. As a comparison, the increase of the overall GHSV can also decrease the C3H8 conversion to a similar extent, but the further cracking of C3H6 cannot be limited. PMID:26392020

  6. 41 CFR 102-74.280 - Are privately owned vehicles converted for propane carburetion permitted in underground parking...

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 102-74.280 Public Contracts and Property Management Federal Property Management Regulations System (Continued) FEDERAL MANAGEMENT REGULATION REAL PROPERTY 74-FACILITY MANAGEMENT Facility Management Parking... 41 Public Contracts and Property Management 3 2011-01-01 2011-01-01 false Are privately...

  7. 41 CFR 102-74.280 - Are privately owned vehicles converted for propane carburetion permitted in underground parking...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 102-74.280 Public Contracts and Property Management Federal Property Management Regulations System (Continued) FEDERAL MANAGEMENT REGULATION REAL PROPERTY 74-FACILITY MANAGEMENT Facility Management Parking... 41 Public Contracts and Property Management 3 2013-07-01 2013-07-01 false Are privately...

  8. Propylene/propane permeation properties of ethyl cellulose (EC) mixed matrix membranes fabricated by incorporation of nanoporous graphene nanosheets.

    PubMed

    Yuan, Bingbing; Sun, Haixiang; Wang, Tao; Xu, Yanyan; Li, Peng; Kong, Ying; Niu, Q Jason

    2016-01-01

    Nanopore containing graphene nanosheets were synthesized by graphene oxide and a reducing agent using a facile hydrothermal treatment in sodium hydroxide media. The as-prepared nanoporous graphene was incorporated into ethyl cellulose (EC) to prepare the mixed matrix membranes (MMMs) for C3H6/C3H8 separation. Transmission electron microscopy (TEM) photograph and X-ray photoelectron spectroscopy (XPS) analysis of nanoporous graphene nanosheets indicated that the structure of nano-pore was irregular and the oxygen-containing groups in the surface were limited. More importantly, the as-prepared MMMs presented better separation performance than that of pristine EC membrane due to simultaneous enhancement of C3H6 permeability and ideal selectivity. The ideal selectivity of the MMMs with 1.125 wt‰ nanoporous graphene content for C3H6/C3H8 increased from 3.45 to 10.42 and the permeability of C3H6 increased from 57.9 Barrer to 89.95 Barrer as compared with the pristine membrane. The presumed facilitated mechanism was that the high specific surface area of nanoporous graphene in polymer matrix increased the length of the tortuous pathway formed by nanopores for the gas diffusion as compared with the pristine graphene nanosheets, and generated a rigidified interface between the EC chains and fillers, thus enhanced the diffusivity selectivity. Therefore, it is expected that nanoporous graphene would be effective material for the C3H6/C3H8 separation. PMID:27352851

  9. Why Is It so? The [superscript 1]H-NMR CH[subscript 2] Splitting in Substituted Propanes

    ERIC Educational Resources Information Center

    Lim, Kieran F.; Dereani, Marino

    2010-01-01

    Nuclear magnetic resonance (NMR) spectroscopy is an important tool in the structural analysis of both organic and inorganic molecules. Proton NMR spectra can yield information about the chemical or bonding environment surrounding various protons, the number of protons in those environments, and the number of neighbouring protons around each…

  10. 2-(4-Methyl­phen­yl)-1-(phenyl­sulfon­yl)propan-2-ol

    PubMed Central

    Shi, Bao-Jun; Huang, Liang-Zhu; Li, You-Qiang; Si, Chang-Mei; Du, Zhen-Ting

    2011-01-01

    The title compound, C16H18O3S, features a U-shape mol­ecular structure with a dihedral angle between the terminal benzene rings of 20.8 (1)°. An intra­molecular O—H⋯O hydrogen bond helps to stabilize the mol­ecular structure. Inter­molecular classical O—H⋯O and weak C—H⋯O hydrogen bonding is present in the crystal structure. PMID:22219888

  11. Phase behavior and 13C NMR spectroscopic analysis of the mixed methane + ethane + propane hydrates in mesoporous silica gels.

    PubMed

    Lee, Seungmin; Cha, Inuk; Seo, Yongwon

    2010-11-25

    In this study, the phase behavior and quantitative determination of hydrate composition and cage occupancy for the mixed CH(4) + C(2)H(6) + C(3)H(8) hydrates were closely investigated through the experimental measurement of three-phase hydrate (H)-water-rich liquid (L(W))-vapor (V) equilibria and (13)C NMR spectra. To examine the effect of pore size and salinity, we measured hydrate phase equilibria for the quaternary CH(4) (90%) + C(2)H(6) (7%) + C(3)H(8) (3%) + water mixtures in silica gel pores of nominal diameters of 6.0, 15.0, and 30.0 nm and for the quinary CH(4) (90%) + C(2)H(6) (7%) + C(3)H(8) (3%) + NaCl + water mixtures of two different NaCl concentrations (3 and 10 wt %) in silica gel pores of a nominal 30.0 nm diameter. The value of hydrate-water interfacial tension for the CH(4) (90%) + C(2)H(6) (7%) + C(3)H(8) (3%) hydrate was found to be 47 ± 4 mJ/m(2) from the relation of the dissociation temperature depression with the pore size of silica gels at a given pressure. At a specified temperature, three-phase H-L(W)-V equilibrium curves of pore hydrates were shifted to higher pressure regions depending on pore sizes and NaCl concentrations. From the cage-dependent (13)C NMR chemical shifts of enclathrated guest molecules, the mixed CH(4) (90%) + C(2)H(6) (7%) + C(3)H(8) (3%) gas hydrate was confirmed to be structure II. The cage occupancies of each guest molecule and the hydration number of the mixed gas hydrates were also estimated from the (13)C NMR spectra.

  12. 1-(2-Methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl acetate.

    PubMed

    Shahid, Hafiz Abdullah; Hussain, Ejaz; Jahangir, Sajid; Yousuf, Sammer

    2014-03-01

    In the title compound, C9H13N3O4, an ester of the anti-infection drug secnidazole, the dihedral angle between the nitro-imidazole mean plane (r.m.s. deviation = 0.028 Å) and the pendant acetate group is 43.17 (11)°. In the crystal, inversion dimers linked by pairs of C-H⋯O inter-actions generate R 2 (2)(10) loops and further C-H⋯O hydrogen bonds link the dimers into [100] chains. Weak aromatic π-π stacking inter-actions with a centroid-centroid distance of 3.7623 (11) Å are also observed. PMID:24765001

  13. 1-(2-Methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl acetate

    PubMed Central

    Shahid, Hafiz Abdullah; Hussain, Ejaz; Jahangir, Sajid; Yousuf, Sammer

    2014-01-01

    In the title compound, C9H13N3O4, an ester of the anti-infection drug secnidazole, the dihedral angle between the nitro­imidazole mean plane (r.m.s. deviation = 0.028 Å) and the pendant acetate group is 43.17 (11)°. In the crystal, inversion dimers linked by pairs of C—H⋯O inter­actions generate R 2 2(10) loops and further C—H⋯O hydrogen bonds link the dimers into [100] chains. Weak aromatic π–π stacking inter­actions with a centroid–centroid distance of 3.7623 (11) Å are also observed. PMID:24765001

  14. ENVIROGEN PROPANE BIOSTIMULATION TECHNOLOGY FOR THE IN-SITU TREATMENT OF MTBE-CONTAMINATED GROUND WATER INNOVATIVE TECHNOLOGY EVALUATION REPORT

    EPA Science Inventory

    The primary objective of the Biostimulation Technology Evaluation was to determine if biodegradation was occurring in a ground-water Test Plot to a sufficient degree to reduce intrinsic MTBE to the State of California's treatability criteria of 5 mg/L or below. The evaluation wa...

  15. Counterflow diffusion flames of hydrogen, and hydrogen plus methane, ethylene, propane, and silane vs. air - Strain rates at extinction

    NASA Technical Reports Server (NTRS)

    Pellett, G. L.; Northam, G. Burton; Wilson, L. G.

    1991-01-01

    Five coaxial tubular opposed jet burners (OJBs) with tube diameter D(T) of 1.8-10 mm and 5 mm conical nozzles were used to form dish-shaped counterflow diffusion flames centered by opposing laminar jets of nitrogen and hydrocarbon-diluted H2 versus air in an argon-purged chamber at 1 atm. Area-averaged air jet velocities at blowoff of the central flame, U(air), characterized extinction of the airside flame as functions of input H2 concentration on the fuelside. A master plot of extensive U(air) data at blowoff versus D(T) shows that U(air) varies linearly with D(T). This and other data sets are used to find that nozzle OJB results for U(air)/diameter average 4.24 + or - 0.28 times larger than tubular OJB results for the same fuel compositions. Critical radial velocity gradients consistent with one-dimensional stagnation point boundary theory and with plug flow inputs are estimated. The results compare favorably with published numerical results based only on potential flow.

  16. Crystal structure of 1-(4-methyl-phen-yl)-3-(propan-2-yl-idene-amino)-thio-urea.

    PubMed

    Jotani, Mukesh M; Yeo, Chien Ing; Tiekink, Edward R T

    2015-10-01

    In the title thio-semicarbazone, C11H15N3S, the p-tolyl-N-H and imino-N-H groups are anti and syn, respectively, to the central thione-S atom. This allows for the formation of an intra-molecular p-tolyl-N-H⋯N(imino) hydrogen bond. The mol-ecule is twisted with the dihedral angle between the p-tolyl ring and the non-hydrogen atoms of the N=CMe2 residue being 29.27 (8)°. The crystal packing features supra-molecular layers lying in the bc plane whereby centrosymmetric aggregates sustained by eight-membered thio-amide {⋯HNCS}2 synthons are linked by further N-H⋯S hydrogen bonds. Layers are connected via methyl-C-H⋯π inter-actions. The supra-molecular aggregation was further investigated by an analysis of the Hirshfeld surface and comparison made to related structures. PMID:26594415

  17. THERMODYNAMIC PROPERTIES (DELTAHF(298), S(298), AND CP(T) (300 < T < 1500 OF FLUORIDATED PROPANES. (R824970)

    EPA Science Inventory

    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...

  18. Signs of cyclosarin-induced neurotoxicity and its pharmacological treatment with quaternary pyridinium-oximes reactivators.

    PubMed

    Krejcova-Kunesova, Gabriela; Bartosova, Lucie; Kuca, Kamil

    2005-12-01

    Cyclosarin (GF-agent; O-cyclohexylmethylfluorophosphonate) belongs to highly toxic organophosphorus compounds. Potential for exposure to chemical warfare organophosphosphorus nerve agents, such as cyclosarin exists on the battlefield, or in the civilian sector as a threat by a terrorist group, as well as an accident as part of current demilitarization efforts. Cyclosarin was not in a front of scientific interest for long time. The research interest was increased after Operation Desert Shield and Desert Storm with the possibility (later confirmed by the UN special commission) that cyclosarin constituted the Iraqi chemical agent inventory. In this study, the neurotoxicity of cyclosarin and therapeutic efficacy of three oximes [HI-6(1-(2-hydroxyiminomethylpyridinium)-3-(4-carbamoylpyridinium)-2-oxa-propane dichloride), BI-6(2-hydroxyiminomethylpyridinium)-4-(4-carbamoylpyridinium)-but-2-ene dibromide), HS-6(2-hydroxyiminomethylpyridinium)-3-(3-carbamoylpyridinium)-2-oxa-propane dichloride)] as acetylcholinesterase reactivators in combination with atropine was studied in rats. The therapy was administered intramusculary (i.m.) 1 min after i.m. GF-agent challenge (1 LD50). Testing of cyclosarin-induced neurotoxicity progress was carried out using the method of Functional observational battery (FOB). The experimental animals were observed at 24 h and 7 days following cyclosarin administration. The results were compared to the condition of control rats that received physiological solution instead of cyclosarin and treatment. All tested antidotal compounds induced neuroprotective efficacy, because decrease of neurotoxicity signs was recorded. There were no poisoned experimental group treated with atropine only, because our preliminary study showed no therapeutical effect of atropine alone. Cyclosarin caused a marked statistically significant change in most of the neurobehavioral parameters (FOB) at 24 h and 7 days after exposure, compared to the saline control group

  19. The development and assessment of high-throughput mass spectrometry-based methods for the quantification of a nanoparticle drug delivery agent in cellular lysate.

    PubMed

    Buse, Joshua; Purves, Randy W; Verrall, Ronald E; Badea, Ildiko; Zhang, Haixia; Mulligan, Christopher C; Peru, Kerry M; Bailey, Jonathan; Headley, John V; El-Aneed, Anas

    2014-11-01

    The safe use of lipid-based drug delivery agents requires fast and sensitive qualitative and quantitative assessment of their cellular interactions. Many mass spectrometry (MS) based analytical platforms can achieve such task with varying capabilities. Therefore, four novel high-throughput MS-based quantitative methods were evaluated for the analysis of a small organic gene delivery agent: N,N-bis(dimethylhexadecyl)-1,3-propane-diammonium dibromide (G16-3). Analysis utilized MS instruments that detect analytes using low-resolution tandem MS (MS/MS) analysis (i.e. QTRAP or linear ion trap in this work) or high-resolution MS analysis (i.e. time of flight (ToF) or Orbitrap). Our results indicate that the validated fast chromatography (FC)-QTRAP-MS/MS, FC- LTQ-Orbitrap-MS, desorption electrospray ionization-collision-induced dissociation (CID)-MS/MS and matrix assisted laser desorption ionization-ToF/ToF-MS MS methods were superior in the area of method development and sample analysis time to a previously developed liquid chromatography (LC)-CID-MS/MS. To our knowledge, this is the first evaluation of the abilities of five MS-based quantitative methods that target a single pharmaceutical analyte. Our findings indicate that, in comparison to conventional LC-CID-MS/MS, the new MS-based methods resulted in a (1) substantial reduction in the analysis time, (2) reduction in the time required for method development and (3) production of either superior or comparable quantitative data. The four new high-throughput MS methods, therefore, were faster, more efficient and less expensive than a conventional LC-CID-MS/MS for the quantification of the G16-3 analyte within tissue culture. When applied to cellular lysate, no significant change in the concentration of G16-3 gemini surfactant within PAM212 cells was observed between 5 and 53 h, suggesting the absence of any metabolism/excretion from PAM212 cells.

  20. Assessing the therapeutic efficacy of oxime therapies against percutaneous organophosphorus pesticide and nerve agent challenges in the Hartley guinea pig

    PubMed Central

    Snider, Thomas H.; Wilhelm, Christina M.; Babin, Michael C.; Platoff, Gennady E.; Yeung, David T.

    2016-01-01

    Given the rapid onset of symptoms from intoxication by organophosphate (OP) compounds, a quick-acting, efficacious therapeutic regimen is needed. A primary component of anti-OP therapy is an oxime reactivator to rescue OP-inhibited acetylcholinesterases. Male guinea pigs, clipped of hair, received neat applications of either VR, VX, parathion, or phorate oxon (PHO) at the 85th percentile lethal dose, and, beginning with presentation of toxicosis, received the human equivalent dose therapy by intramuscular injection with two additional follow-on treatments at 3-hr intervals. Each therapy consisted of atropine free base at 0.4 mg/kg followed by one of eight candidate oximes. Lethality rates were obtained at 24 hr after VR, VX and PHO challenges, and at 48 hr after challenge with parathion. Lethality rates among symptomatic, oxime-treated groups were compared with that of positive control (OP-challenged and atropine-only treated) guinea pigs composited across the test days. Significant (p ≤ 0.05) protective therapy was afforded by 1,1-methylene bis(4(hydroxyimino- methyl)pyridinium) dimethanesulfonate (MMB4 DMS) against challenges of VR (p ≤ 0.001) and VX (p ≤ 0.05). Lethal effects of VX were also significantly (p ≤ 0.05) mitigated by treatments with oxo-[[1-[[4-(oxoazaniumylmethylidene)pyridin-1-yl] methoxymethyl]pyridin-4-ylidene]methyl]azanium dichloride (obidoxime Cl2) and 1-(((4-(aminocarbonyl) pyridinio)methoxy)methyl)-2,4-bis((hydroxyimino)methyl)pyridinium dimethanesulfonate (HLö-7 DMS). Against parathion, significant protective therapy was afforded by obidoxime dichloride (p ≤ 0.001) and 1,1′-propane-1,3-diylbis{4-[(E)-(hydroxyimino)methyl]pyridinium} dibromide (TMB-4, p ≤ 0.01). None of the oximes evaluated was therapeutically effective against PHO. Across the spectrum of OP chemicals tested, the oximes that offered the highest level of therapy were MMB4 DMS and obidoxime dichloride. PMID:26558457