Science.gov

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

  1. The antidotal efficacy of the bispyridinium oximes K027 and TMB-4 against tabun poisoning in mice.

    PubMed

    Berend, Suzana; Radić, Bozica; Kuca, Kamil; Lucić Vrdoljak, Ana

    2010-09-06

    A toxic effect of highly toxic nervous agents is irreversible inhibition of vitally important enzyme acethylcholinesterase (AChE). Inhibition of AChE results in accumulation of acetylcholine (ACh) at the synaptic cleft of the cholinergic neurons, leading to overstimulation of cholinergic receptors. The highly toxic nature of tabun has been known for many years, but there are still serious limitations to the antidotal therapy. In this paper a bispyridinium compound K027 [1-(4-hydroxyiminomethylpyridinium)-3-(-4-carbamoylpyridinium) propane dibromide] was tested as potential antidote in tabun poisoned mice. Oxime TMB-4 was included for comparison. The therapeutic efficacy of applied antidotal regimens was tested as pretreatment given 15 min before tabun poisoning and/or as therapy given 1 min after tabun poisoning. Using oxime K027 (25% of its LD(50)) plus atropine as both, pretreatment and therapy, we showed that this combination can protect mice 8 times better than the therapy alone. Under these experimental conditions we confirmed good antidotal efficacy of K027. Moreover, its low acute toxicity is as much as beneficial effect in contrast to high toxicity of currently used TMB-4.

  2. Pretreatment with pyridinium oximes improves antidotal therapy against tabun poisoning.

    PubMed

    Lucić Vrdoljak, Ana; Calić, Maja; Radić, Bozica; Berend, Suzana; Jun, Daniel; Kuca, Kamil; Kovarik, Zrinka

    2006-11-10

    Oximes K033 [1,4-bis(2-hydroxyiminomethylpyridinium) butane dibromide] and K048 [1-(4-hydroxyiminomethylpyridinium)-4-(4-carbamoylpyridinium) butane dibromide] were tested as pretreatment drugs in tabun-poisoned mice followed by treatment with atropine plus K033, K048, K027 [1-(4-hydroxyiminomethylpyridinium)-3-(4-carbamoylpyridinium) propane dibromide], TMB-4 [1,3-bis(4-hydroxyiminomethylpyridinium) propane dibromide] and HI-6 [(1-(2-hydroxyiminomethylpyridinium)-3-(4-carbamoylpyridinium)-2-oxapropane dichloride)]. Oxime doses of 25% or 5% of its LD(50) were used for pretreatment 15 min before tabun-poisoning and for treatment 1 min after tabun administration to mice. The best therapeutic effect was obtained when oxime K048 (25% of its LD(50)) was used in both pretreatment and treatment with atropine. This regiment insured survival of all tested animals after the application of 10 LD(50) of tabun. In addition, since butyrylcholinesterase (BChE; EC 3.1.1.8) is considered an endogenous bioscavenger of anticholinesterase compounds and its interactions with oximes could be masked by AChE interactions, we evaluated kinetic parameters for interactions of tested oximes with native and tabun-inhibited human plasma BChE and compared them with results obtained previously for human erythrocyte acetylcholinesterase (AChE; EC 3.1.1.7). Progressive inhibition of BChE by tabun was slightly faster than that of AChE. The reactivation of tabun-inhibited BChE by oximes was very slow, and BChE binding affinity for oximes was lower than AChE's. Therefore, BChE could scavenge tabun prior to AChE inhibition, but fast oxime-assisted reactivation of tabun-inhibited AChE or protection of AChE by oxime against inhibition with tabun would not be obstructed by interaction between BChE and oximes.

  3. In vitro and in vivo evaluation of pyridinium oximes: mode of interaction with acetylcholinesterase, effect on tabun- and soman-poisoned mice and their cytotoxicity.

    PubMed

    Calić, Maja; Vrdoljak, Ana Lucić; Radić, Bozica; Jelić, Dubravko; Jun, Daniel; Kuca, Kamil; Kovarik, Zrinka

    2006-02-15

    The increased concern about terrorist use of nerve agents prompted us to search for new more effective oximes against tabun and soman poisoning. We investigated the interactions of five bispyridinium oximes: K027 [1-(4-hydroxyiminomethylpyridinium)-3-(4-carbamoylpyridinium) propane dibromide], K048 [1-(4-hydroxyiminomethylpyridinium)-4-(4-carbamoylpyridinium) butane dibromide], K033 [1,4-bis(2-hydroxyiminomethylpyridinium) butane dibromide], TMB-4 [1,3-bis(4-hydroxyiminomethylpyridinium) propane dibromide] and HI-6 [(1-(2-hydroxyiminomethylpyridinium)-3-(4-carbamoylpyridinium)-2-oxapropane dichloride)] with human erythrocyte acetylcholinesterase (AChE; E.C. 3.1.1.7) and their effects on tabun- and soman-poisoned mice. All the oximes reversibly inhibited AChE, and the enzyme-oxime dissociation constants were between 17 and 180 microM. Tabun-inhibited AChE was completely reactivated by TMB-4, K027 and K048, with the overall reactivation rate constants of 306, 376 and 673 min(-1)M(-1), respectively. The reactivation of tabun-inhibited AChE by K033 reached 50% after 24h, while HI-6 failed to reactivate any AChE at all. Soman-inhibited AChE was resistant to reactivation by 1mM oximes. All studied oximes protected AChE from phosphorylation with both soman and tabun. In vivo experiments showed that the studied oximes were relatively toxic to mice; K033 was the most toxic (LD50=33.4 mg/kg), while K027 was the least toxic (LD50=672.8 mg/kg). The best antidotal efficacy was obtained with K048, K027 and TMB-4 for tabun poisoning, and HI-6 for soman poisoning. Moreover, all tested oximes showed no cytotoxic effect on several cell lines in concentrations up to 0.8mM. The potency of the oximes K048 and K027 to protect mice from five-fold LD50 of tabun and their low toxicity make these compounds leading in the therapy of tabun poisoning. The combination of HI-6 and atropine is the therapy of choice for soman poisoning.

  4. 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.

  5. 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.

  6. 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)

  7. 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.......... 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...

  8. 76 FR 27317 - Ziram, Diquat Dibromide, and Chloropicrin; Order for Amendments To Terminate Uses

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-05-11

    ......... 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 (seed......... Sorghum and soybean (seed Desiccant. crop only). 82633-2 Sharda Diquat Diquat Dibromide...... Sorghum...

  9. 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.

  10. 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

  11. 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.

  12. 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.

  13. 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)...

  14. Differentiation of diastereotopic bromine atoms in SN2 reactions of gem-dibromides.

    PubMed

    Münster, Niels; Harms, Klaus; Koert, Ulrich

    2012-02-11

    A novel directed S(N)2 reaction of conformationally biased gem-dibromides and an arenesulfinate anion is described. The reaction results in the diastereoselective formation of α-bromosulfones. The selectivity originates from pre-coordination of the nucleophile to a free hydroxyl group in the γ-position.

  15. 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

  16. Phosphorus-Containing Bis-allenes: Synthesis and Heterocyclization Reactions Mediated by Iodine or Copper Dibromide.

    PubMed

    Essid, I; Laborde, C; Legros, F; Sevrain, N; Touil, S; Rolland, M; Ayad, T; Volle, J-N; Pirat, J-L; Virieux, D

    2017-03-30

    Bisphosphorylallenes were easily obtained in multigram scale from the Wittig-type rearrangement of bispropargyl alcohols. Unlike other conjugated bis-allenes, these reagents underwent a double cyclization mediated by iodine or copper dibromide leading to the formation of bis-1,2-oxaphospholenes.

  17. 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...

  18. 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.

  19. 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.

  20. Food contamination with styrene dibromide via packaging migration of leachate from polystyrene cold-storage insulation.

    PubMed

    Bendall, Justin G

    2007-04-01

    During distribution through an offshore transportation and cold-storage network, a multitonne consignment of cheese became contaminated, as apparent by a surface taint on some of the cheese blocks. Analysis of the volatile aroma compounds revealed that the taint was caused by styrene dibromide, estimated to be present in the tainted cheese at less than nanogram per gram concentrations. Condensed water, which had accumulated within the polystyrene insulation over a period of years, had been released by physical damage to the walls of an old cold store, and organic contaminants from the leached water had migrated through the packaging material of the cheese bags. Because styrene dibromide is toxic and mutagenic, its presence was intolerable in food intended for human consumption, and the consignment of cheese was ordered to be destroyed.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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

  6. 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.

  7. 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

    ..., agricultural, process and nonfuel users of propane. This notice of inquiry is part of an effort to collect information to fulfill requirements under the Propane Education and Research Act of 1996 that established PERC...., Suite 4053, Washington, DC 20230. FOR FURTHER INFORMATION CONTACT: For questions on the submission...

  8. An unnatural death by propan-1-ol and propan-2-ol.

    PubMed

    Skopp, Gisela; Gutmann, Isabelle; Schwarz, Clara-Sophie; Schmitt, Georg

    2016-07-01

    A fatality of an inpatient ingesting a disinfectant containing ethanol, propan-1-ol, and propan-2-ol is reported. The alleged survival time was about 1 h. Major findings at autopsy were an extended hemorrhagic lung edema, an edematous brain, and shock kidneys. Concentrations of alcohols and acetone, a major metabolite of propan-2-ol, were determined from body fluids (blood from the heart and the femoral vein, urine, gastric contents) and tissues (brain, muscle, liver, kidneys, lungs) by headspace/gas chromatography using 2-methylpropan-2-ol as the internal standard. All samples investigated were positive for propan-1-ol, propan-2-ol, ethanol, and acetone except stomach contents, where acetone was not detectable. The low concentration of acetone compared to propan-2-ol likely supports the short survival time. The concentration ratios estimated from the results are in accordance with the physico-chemical properties of the particular alcohols, their different affinities towards alcohol dehydrogenase as well as their interdependence during biotransformation. Autopsy did not reveal the cause of death. According to the few published data, blood concentrations of 1.44 and 1.70 mg/g of propan-2-ol and propan-1-ol, respectively, are considered sufficient to have caused the death. This case also points to the need to restrict access to antiseptic solutions containing alcohols in wards with patients at risk.

  9. RMP Guidance for Propane Storage Facilities - Main Text

    EPA Pesticide Factsheets

    This document is intended as comprehensive Risk Management Program guidance for larger propane storage or distribution facilities who already comply with propane industry standards. Includes sample RMP, and release calculations.

  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. 21 CFR 582.1655 - Propane.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... used in accordance with good manufacturing or feeding practice. ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Propane. 582.1655 Section 582.1655 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS,...

  13. 77 FR 31842 - Thrifty Propane, Inc.

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-05-30

    ... From the Federal Register Online via the Government Publishing Office DEPARTMENT OF ENERGY Federal Energy Regulatory Commission Thrifty Propane, Inc. v. Enterprise TE Products Pipeline Co., LLC; Notice of... Enterprise TE Products Pipeline Co., LLC (Respondent) alleging that the Respondent intends to make...

  14. 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.

  15. Case Study - Propane Bakery Delivery Step Vans

    SciTech Connect

    Laughlin, M.; Burnham, A.

    2016-04-01

    A switch to propane from diesel by a major Midwest bakery fleet showed promising results, including a significant displacement of petroleum, a drop in greenhouse gases and a fuel cost savings of seven cents per mile, according to a study recently completed by the U.S. Department of Energy's Argonne National Laboratory for the Clean Cities program.

  16. 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.

  17. Semen quality in papaya workers with long term exposure to ethylene dibromide.

    PubMed Central

    Ratcliffe, J M; Schrader, S M; Steenland, K; Clapp, D E; Turner, T; Hornung, R W

    1987-01-01

    To examine whether long term occupational exposure to ethylene dibromide (EDB) affects semen quality a cross sectional study of semen quality was conducted among 46 men employed in the papaya fumigation industry in Hawaii, with an average duration of exposure of five years and a geometric mean breathing zone exposure to airborne EDB of 88 ppb (eight hour time weighted average) and peak exposures of up to 262 ppb. The comparison group consisted of 43 unexposed men from a nearby sugar refinery. Statistically significant decreases in sperm count per ejaculate, the percentage of viable and motile sperm, and increases in the proportion of sperm with specific morphological abnormalities (tapered heads, absent heads, and abnormal tails) were observed among exposed men by comparison with controls after consideration of smoking, caffeine and alcohol consumption, subject's age, abstinence, history of urogenital disorders, and other potentially confounding variables. No effect of exposure to EDB on sperm velocity, the overall proportion of sperm with normal morphology, or YFF bodies was observed. These data strongly suggest that EDB may increase the risk of reproductive impairment in workers at exposure levels near the National Institute for Occupational Safety and Health recommended limit of 45 ppb (as an eight hour time weighted average) and far below the current standard of the Occupational Safety and Health Administration of 20 ppm. PMID:3297130

  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. 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.

  20. 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).

  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. 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.

  3. Titan's Propane from Cassini Infrared Spectroscopy

    NASA Astrophysics Data System (ADS)

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

    2009-04-01

    Propane gas (C3H8) was first detected in the atmosphere of Titan by the Voyager 1 IRIS spectrometer, during the 1980 encounter (Maguire et al., 1981), and remains the heaviest saturated hydrocarbon (alkane) found there to date. Although the identification was based on the detection of several bands (including 748, 922, 1054, 1158 cm-1), only the ν26 band at 748 cm-1 has been subsequently modeled to retrieve the abundance, due to the unique availability of its line parameters in the GEISA database (Husson et al. 1992). Subsequent measurements from the ground (Roe et al., 2003) and Earth-orbit (ISO - Coustenis et al. 2003) have also focused on this one band, deriving an abundance of ~0.5 ppm, although it remains compromised by coincidence with the R-branch of the much stronger acetylene (C2H2) gas. The Composite Infrared Spectrometer (CIRS) instrument carried on-board the Cassini spacecraft in Saturn orbit has now been observing Titan during more than 50 flybys over 5 years, and offers a fresh perspective on the prevalence of propane. With much improved spectral and spatial resolution and sensitivity over IRIS, CIRS is also able to perform repeated limb sounding (viewing through the atmosphere above the surface) to increase signal-to-noise still further. Modeling and removal of the emissions of other gases now shows clearly for the first time a multitude of propane bands: including the four seen by IRIS and at least four others (869, 1338, 1376, 1472 cm-1). In addition, a new line atlas for three bands of propane at shorter wavelengths (1300-1500 cm-1) has now been compiled, based on the work of Flaud et al. (2001). With this, we now have the potential to model these weaker bands, and to check the measurements made by CIRS using the 748 cm-1 band alone. Preliminary analysis has shown that the retrievals are very sensitive to the spectral baseline (haze model) assumed, and that existing lab tholin spectral properties (Khare et al. 1984) do not well match the opacity

  4. 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

    ... AmeriGas Propane, L.P., AmeriGas Propane, Inc., Energy Transfer Partners, L.P., and Energy Transfer...'') with AmeriGas Propane, L.P. (``AmeriGas''), AmeriGas Propane, Inc., Energy Transfer Partners, L.P. (``ETP''), and Energy Transfer Partners GP, L.P. (``ETP GP''), which is designed to guard...

  5. Forestomach lesions induced by butylated hydroxyanisole and ethylene dibromide: a scientific and regulatory perspective.

    PubMed

    Moch, R W

    1988-01-01

    Selected pathology lesions from 9 studies, 5 with butylated hydroxyanisole (BHA) and 4 with ethylene dibromide (EDB) are reviewed and their relative importance in regulatory evaluation is discussed. When Fischer 344 (F344) rats were fed BHA at 0.5% and 2.0% of the diet for 2 years, an increased number of rats of both sexes had epithelial hyperplasia of the forestomach at both treatment levels, compared to controls. At the 2.0% level, an increased number of rats had forestomach papilloma or forestomach squamous cell carcinoma. In a second study, in which F344 rats were fed BHA at 1.0% and 2.0% of the diet for 2 years, increased numbers of rats in both treatment groups were reported to have hyperplasia or papilloma of the forestomach. At the 2.0% level, increased numbers of rats developed squamous cell carcinoma of the forestomach. More Syrian golden hamsters fed BHA at 1.0% and 2.0% of the diet for 2 years reportedly had hyperplasia, papilloma or squamous cell carcinoma of the forestomach than did nontreated animals. Ingestion of BHA at 0.5% and 1.0% of the diet by B6C3F1 mice for 2 years was reported to produce an increase of animals with hyperplasia or papilloma of the forestomach at both dosage levels, compared to nontreated mice. When beagle dogs were fed BHA at 1.0% and 1.3% of the diet for 180 days, no lesions/tumors of the distal esophagus or stomach were identified at gross necropsy or by light or electron microscopy. When EDB was administered by gavage to Osborne-Mendel rats and B6C3F1 mice under conditions of the National Toxicology Bioassay Program, more rats and mice, both male and female, developed squamous cell carcinoma of the forestomach than did nontreated groups. EDB administered via inhalation to F344 rats and B6C3F1 mice did not cause squamous cell carcinoma of the forestomach; however, other neoplasms occurred which were considered to be treatment-related. Information gleaned from the BHA and EDB studies with multiple animal species facilitated

  6. 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.

  7. Acute Intramuscular Toxicity (LD50) of 1,1’-Methylenebis (4- (Hydroxyimino) Methyl) Pyridinium Dibromide, (MMB-4) in Male Mice

    DTIC Science & Technology

    1983-04-01

    METHODS Test Substance Chemical name: 1,1 ’-Methylenebis[4-[(hydroxyimino) methyl] pyridinium] dibromide, (01MB-4) (TAO03) Chemical Abstract Service...name: 1,1 ’-Methylenebis[4-[(hydroxyimino)methyl] pyridiniumldibromide, (CMIB-1 𔃾 Chemical Abstract Service Registry Number: None Molecular formula

  8. Reduced chemical kinetics for propane combustion

    NASA Technical Reports Server (NTRS)

    Ying, Shuh-Jing; Nguyen, Hung Lee

    1990-01-01

    It is pointed out that a detailed chemical kinetics mechanism for the combustion of propane consists of 40 chemical species and 118 elementary chemical reactions. An attempt is made to reduce the number of chemical species and elementary chemical reactions so that the computer run times and storage requirements may be greatly reduced in three-dimensional gas turbine combustion flow calculations, while maintaining accurate predictions of the propane combustion and exhaust emissions. By way of a sensitivity analysis, the species of interest and chemical reactions are classified in descending order of importance. Nineteen species are chosen, and their pressure, temperature, and concentration profiles are presented for the reduced mechanisms, which are then compared with those from the full 118 reactions. It is found that 45 reactions involving 27 species have to be kept for comparable agreement. A comparison of the results obtained from the 45 reactions to that of the full 118 shows that the pressure and temperature profiles and concentrations of C3H8, O2, N2, H2O, CO, and CO2 are within 10 percent of maximum change.

  9. Extending the Lifetime of Hyperpolarized Propane Gas through Reversible Dissolution.

    PubMed

    Burueva, Dudari B; Romanov, Alexey S; Salnikov, Oleg G; Zhivonitko, Vladimir V; Chen, Yu-Wen; Barskiy, Danila A; Chekmenev, Eduard Y; Hwang, Dennis W; Kovtunov, Kirill V; Koptyug, Igor V

    2017-03-02

    Hyperpolarized (HP) propane produced by the parahydrogen-induced polarization (PHIP) technique has been recently introduced as a promising contrast agent for functional lung magnetic resonance (MR) imaging. However, its short lifetime due to a spin-lattice relaxation time T1 of less than 1 s in the gas phase is a significant translational challenge for its potential biomedical applications. The previously demonstrated approach for extending the lifetime of the HP propane state through long-lived spin states allows the HP propane lifetime to be increased by a factor of ∼3. Here, we demonstrate that a remarkable increase in the propane hyperpolarization decay time at high magnetic field (7.1 T) can be achieved by its dissolution in deuterated organic solvents (acetone-d6 or methanol-d4). The approximate values of the HP decay time for propane dissolved in acetone-d6 are 35.1 and 28.6 s for the CH2 group and the CH3 group, respectively (similar values were obtained for propane dissolved in methanol-d4), which are ∼50 times larger than the gaseous propane T1 value. Furthermore, we show that it is possible to retrieve HP propane from solution to the gas phase with the preservation of hyperpolarization.

  10. 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.

  11. 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.

  12. Spectral characteristics of a broadband exciplex spontaneous emission source upon mixtures of the cadmium dibromide vapor with gases

    NASA Astrophysics Data System (ADS)

    Guivan, M. M.; Malinin, A. N.

    2007-03-01

    The spectral characteristics of radiation from atmospheric-pressure gas-discharge plasma in mixtures of cadmium dibromide vapor with gases (Ne, Ar, Kr, Xe, and N2), as well as the temporal characteristics of the voltage and current, have been investigated. A barrier discharge at the repetition frequency of sine voltage pulses up to 140 kHz has been used to create the gas-discharge plasma and excite the components of the working mixture. The discharge radiation has been analyzed in the spectral range 200-900 nm with a high resolution (0.05 nm). In the spectra, we have revealed radiation from exciplex molecules CdBr( B → X) and CdBr( C → X), atomic lines of cadmium and inert gases, and, in mixtures with xenon, radiation of exciplex molecules XeBr( B → X, B → A). The XeBr( B → X) radiation prevailed in the spectra at mixture temperatures up to 200°C. The further increase of the temperature resulted in the prevalence of the CdBr( B → X) radiation. The most intense CdBr( B → X) radiation was observed in mixtures of CdBr2/Xe. When the temperature of the mixture was higher than 250°C, the discharge radiation had a silvery-white color. Regularities in the spectral characteristics of the radiation from the gas-discharge plasma are discussed. The high-frequency atmospheric-pressure barrier discharge in mixtures of cadmium dibromide with gases, excited by sine voltage pulses, can be used in multiwave and broadband excilamps, operating in the UV and visible regions.

  13. Emissions results for dedicated propane Chrysler minivans: the 1996 propane vehicle challenge

    SciTech Connect

    Buitrago, C.; Sluder, S.; Larsen, R.

    1997-02-01

    The U.S. Department of Energy (US DOE), through Argonne National Laboratory, and in cooperation with Natural Resources-Canada and Chrysler Canada, sponsored and organized the 1996 Propane Vehicle Challenge (PVC). For this competition , 13 university teams from North America each received a stock Chrysler minivan to be converted to dedicated propane operation while maintaining maximum production feasibility. The converted vehicles were tested for performance (driveability, cold- and hot-start, acceleration, range, and fuel economy) and exhaust emissions. Of the 13 entries for the 1996 PVC, 10 completed all of the events scheduled, including the emissions test. The schools used a variety of fuel-management, fuel-phase and engine-control strategies, but their strategies can be summarized as three main types: liquid fuel-injection, gaseous fuel-injection, and gaseous carburetor. The converted vehicles performed similarly to the gasoline minivan. The University of Windsor`s minivan had the lowest emissions attaining ULEV levels with a gaseous-injected engine. The Texas A&M vehicle, which had a gaseous-fuel injection system, and the GMI Engineering and Management Institute`s vehicle, which had a liquid-injection system both reached LEV levels. Vehicles with an injection fuel system (liquid or gaseous) performed better in terms of emissions than carbureted systems. Liquid injection appeared to be the best option for fuel metering and control for propane, but more research and calibration are necessary to improve the reliability and performance of this design.

  14. 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.

  15. 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.

  16. 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

  17. Dexamethasone inhibits induction of liver tumor necrosis factor-alpha mRNA and liver growth induced by lead nitrate and ethylene dibromide.

    PubMed Central

    Ledda-Columbano, G. M.; Columbano, A.; Cannas, A.; Simbula, G.; Okita, K.; Kayano, K.; Kubo, Y.; Katyal, S. L.; Shinozuka, H.

    1994-01-01

    We have recently demonstrated that a single injection of the mitogen lead nitrate to rats induced a rapid increase of tumor necrosis factor-alpha (TNF-alpha) mRNA in the liver and suggested that this cytokine may be involved in triggering hepatocyte proliferation in this model of direct hyperplasia. In this study, we examined whether a similar induction of liver TNF-alpha mRNA could be observed preceding the onset of hepatocyte proliferation induced by ethylene dibromide, another hepatocyte mitogen. In addition, we used dexamethasone, a well known inhibitor of TNF-alpha production, to determine whether its administration could suppress hepatocyte proliferation induced by lead nitrate and ethylene dibromide. A single intragastric administration of ethylene dibromide (100 mg/kg) to male Wistar rats enhanced liver TNF-alpha mRNA after 4 and 7 hours, which then returned to control levels by 24 hours. TNF-alpha mRNA was detectable only in a nonparenchymal cell fraction of the liver. Pretreatment of rats with a single dose of dexamethasone (2 mg/kg) 60 minutes before lead nitrate (100 mumol/kg) or ethylene dibromide completely abolished the increased levels of liver TNF-alpha mRNA induced by these agents. Inhibition by dexamethasone of TNF-alpha mRNA was associated with an inhibition of liver cell proliferation induced by these mitogens, as measured by [3H]thymidine incorporation into hepatic DNA, mitotic index, and DNA content. These results further support the hypothesis that TNF-alpha may be involved in triggering hepatocyte proliferation induced by primary mitogens. Images Figure 1 Figure 2 Figure 3 Figure 4 Figure 5 Figure 6 PMID:7943184

  18. A Detailed Modeling Study of Propane Oxidation

    SciTech Connect

    Westbrook, C K; Jayaweera, T M; Pitz, W J; Curran, H J

    2004-03-19

    A detailed chemical kinetic mechanism has been used to simulate ignition delay times recorded by a number of experimental shock tube studies over the temperature range 900 {le} T {le} 1800 K, in the pressure range 0.75-40 atm and in the equivalence ratio range 0.5 {le} {phi} {le} 2.0. Flame speed measurements at 1 atm in the equivalence ratio range 0.4 {le} {phi} {le} 1.8 have also been simulated. Both of these data sets, particularly those recorded at high pressure, are of particular importance in validating a kinetic mechanism, as internal combustion engines operate at elevated pressures and temperatures and rates of fuel oxidation are critical to efficient system operation. Experiments in which reactant, intermediate and product species were quantitatively recorded, versus temperature in a jet-stirred reactor (JSR) and versus time in a flow reactor are also simulated. This data provide a stringent test of the kinetic mechanism as it must reproduce accurate quantitative profiles for all reactant, intermediate and product species. The JSR experiments were performed in the temperature range 1000-1110 K, in the equivalence ratio range 0.5 {le} {phi} {le} 4.0, at a pressure of 5 atm. These experiments are complemented by those carried out in a flow reactor in the temperature range 660-820 K, at 10 atm and at an equivalence ratio of 0.4. In addition, burner stabilized flames were simulated, where chemical species profiles were measured at atmospheric pressure for two propane-air flat flames. Overall, reasonably good agreement is observed between the model simulations and the experimental results.

  19. New Formulation for the Viscosity of Propane

    NASA Astrophysics Data System (ADS)

    Vogel, Eckhard; Herrmann, Sebastian

    2016-12-01

    A new viscosity formulation for propane, using the reference equation of state for its thermodynamic properties by Lemmon et al. [J. Chem. Eng. Data 54, 3141 (2009)] and valid in the fluid region from the triple-point temperature to 650 K and pressures up to 100 MPa, is presented. At the beginning, a zero-density contribution and one for the critical enhancement, each based on the experimental data, were independently generated in parts. The higher-density contributions are correlated as a function of the reciprocal reduced temperature τ = Tc/T and of the reduced density δ = ρ/ρc (Tc—critical temperature, ρc—critical density). The final formulation includes 17 coefficients inferred by applying a state-of-the-art linear optimization algorithm. The evaluation and choice of the primary data sets are detailed due to its importance. The viscosity at low pressures p ≤ 0.2 MPa is represented with an expanded uncertainty of 0.5% (coverage factor k = 2) for temperatures 273 ≤ T/K ≤ 625. The expanded uncertainty in the vapor phase at subcritical temperatures T ≥ 273 K as well as in the supercritical thermodynamic region T ≤ 423 K at pressures p ≤ 30 MPa is assumed to be 1.5%. In the near-critical region (1.001 < 1/τ < 1.010 and 0.8 < δ < 1.2), the expanded uncertainty increases with decreasing temperature up to 3.0%. It is further increased to 4.0% in regions of less reliable primary data sets and to 6.0% in ranges in which no primary data are available but the equation of state is valid. Tables of viscosity computed for the new formulation are given in an Appendix for the single-phase region, for the vapor-liquid phase boundary, and for the near-critical region.

  20. Ethylene dibromide and disulfiram: studies in vivo and in vitro on the mechanism of the observed synergistic carcinogenic response.

    PubMed

    Elliott, B M; Ashby, J

    1980-01-01

    Two possible mechanisms for the reported carcinogenic synergism between ethylene dibromide (EDB) and disulfiram have been investigated in vivo and in vitro, the first involving increased production of an EDB-derived glutathione mustard and the second increased production of bromoacetaldehyde. Consistent with both of these suggested mechanisms, repeated administrations of disulfiram to rats inreased liver glutathione-S-transferase activity and decreased liver low Km aldehyde dehydrogenase activity. However, when added to a rat liver S-9 fraction in vitro, disulfiram decreased transferase activity and only depressed the dehydrogenase activity after a period of preincubation. Although the mutagenic potency of EDB to Salmonella typhimurium was slightly enhanced in vitro by the addition of a rat liver S-9 fraction, the further addition of disulfiram to the assay medium produced no additional change. Similarly, the addition of a range of S-9 and S-0.5 liver fractions derived from disulfiram-treated rats also failed to enhance significantly its mutagenic potency over the normal S-9 fraction. The general implications of these findings are discussed.

  1. The TNT equivalence of an optimum propane oxygen mixture

    NASA Astrophysics Data System (ADS)

    Dewey, J. M.

    2005-12-01

    Measurements of the times of arrival of the primary shock produced by the explosion of a nominal 20 tn propane-oxygen mixture have been analysed to provide the variation of the peak hydrostatic overpressure as a function of distance. The results have been scaled to those for a charge of unit mass at normal temperature and pressure, based on the masses of the propane and oxygen and of the propane alone. The scaled results are compared with those produced by the explosion of a hemispherical unit mass of TNT to provide the TNT equivalence factor as a function of overpressure and distance. For overpressures greater than 1 atm there is a strong dependence on the distance from the centre of the explosion, but at lower overpressures the equivalence factors have almost constant values of 0.55 for the propane-oxygen mixture and 1.95 for the propane alone. The significance of these findings, in relationship to vapour cloud explosions and boiling liquid expanding vapour explosions, is discussed.

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

    PubMed

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

    2014-09-02

    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.

  3. 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

  4. Oxidative dehydrogenation of propane over Mg-Mo-O catalysts

    SciTech Connect

    Cadus, L.E.; Abello, M.C.; Gomez, M.F.; Rivarola, J.B.

    1996-01-01

    Mg-Mo-O catalysts have been investigated with different techniques (XRD, XPS, IR, and EPR spectroscopies) in order to explain the difference in catalytic behavior in the oxidative dehydrogenation of propane to propene. The active site would be a coordinatively unsaturated form of Mo{sup 5+}. The active Mo{sup 5+} could be generated on the surface by propane reduction. The slight excess of MoO{sub 3} which is necessary for the catalyst to become an active one probably contributes to the formation of Mo{sup 5+}.

  5. Three new olanzapine structures: the acetic acid monosolvate, and the propan-2-ol and propan-2-one hemisolvate monohydrates.

    PubMed

    Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław

    2013-07-01

    The crystal structures of three new solvates of olanzapine [systematic name: 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine], namely olanzapine acetic acid monosolvate, C17H20N4S·C2H4O2, (I), olanzapine propan-2-ol hemisolvate monohydrate, C17H20N4S·0.5C3H8O·H2O, (II), and olanzapine propan-2-one hemisolvate monohydrate, C17H20N4S·0.5C3H6O·H2O, (III), are presented and compared with other known olanzapine forms. There is a fairly close resemblance of the molecular conformation for all studied analogues. The crystal structures are built up through olanzapine dimers, which are characterized via C-H...π interactions between the aliphatic fragment (1-methylpiperazin-4-yl) and the aromatic fragment (benzene system). All solvent (guest) molecules participate in hydrogen-bonding networks. The crystal packing is sustained via intermolecular N(host)-H···O(guest), O(guest)-H···N(host), O(guest)-H···O(guest) and C(host)-H···O(guest) hydrogen bonds. It should be noted that the solvent propan-2-ol in (II) and propan-2-one in (III) show orientational disorder. The propan-2-ol molecule lies close to a twofold axis, while the propan-2-one molecule resides strictly on a twofold axis through the carbonyl C atom. In both cases, the water molecules present positional disorder of the H atoms.

  6. 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)

  7. 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.

  8. 40 CFR 721.10339 - Adipic acid, substituted propane, alkyldiol, acrylate (generic).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Adipic acid, substituted propane... Significant New Uses for Specific Chemical Substances § 721.10339 Adipic acid, substituted propane, alkyldiol... substance identified generically as adipic acid, substituted propane, alkyldiol, acrylate (PMN P-04-113)...

  9. 40 CFR 721.10339 - Adipic acid, substituted propane, alkyldiol, acrylate (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Adipic acid, substituted propane... Significant New Uses for Specific Chemical Substances § 721.10339 Adipic acid, substituted propane, alkyldiol... substance identified generically as adipic acid, substituted propane, alkyldiol, acrylate (PMN P-04-113)...

  10. 40 CFR 721.10339 - Adipic acid, substituted propane, alkyldiol, acrylate (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Adipic acid, substituted propane... Significant New Uses for Specific Chemical Substances § 721.10339 Adipic acid, substituted propane, alkyldiol... substance identified generically as adipic acid, substituted propane, alkyldiol, acrylate (PMN P-04-113)...

  11. 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.

  12. 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

  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. Differential microbial transformation of nitrosamines by an inducible propane monooxygenase.

    PubMed

    Homme, Carissa L; Sharp, Jonathan O

    2013-07-02

    The toxicity of N-nitrosamines, their presence in drinking and environmental water supplies, and poorly understood recalcitrance collectively necessitate a better understanding of their potential for bioattenuation. Here, we show that the bacterial strain Rhodococcus jostii RHA1 can biotransform N-nitrosodiethylamine (NDEA), N-nitrosodi-n-propylamine (NDPA), N-nitrosopyrrolidine (NPYR), and possibly N-nitrosomorpholine (NMOR) in addition to N-nitrosodimethylamine (NDMA). Growth of cells on propane as the sole carbon source greatly enhanced degradation rates when contrasted with cells grown on complex organics. Propane-induced rates in order of fastest to slowest were NDMA > NDEA > NDPA > NPYR > NMOR at concentrations <2000 μg/L. Removal rates for linear functional groups scaled inversely with mass and cyclic nitrosamines were more recalcitrant than linear nitrosamines. Controls demonstrated significant NDEA and NDPA losses independent of biomass, suggesting abiotic processes may play a role in attenuation of these two compounds under experimental conditions tested here. In contrast to NDMA, a transition from first to zero order kinetics was not observed for the other nitrosamines included in this study over a concentration range of 20-2000 μg/L. A genetic knockout for the propane monooxygenase enzyme (PrMO) confirmed the role of this enzyme in the biotransformation of NDEA and NPYR. This study furthers our understanding of environmental nitrosamine attenuation by revealing an enzymatic mechanism for the biotransformation of multiple nitrosamines, their relative recalcitrance to transformation, and potential for abiotic loss.

  15. 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)

  16. Kinetic modeling of propane aromatization reaction over HZSM-5 and GaHZSM-5

    SciTech Connect

    Lukyanov, D.B.; Gnep, N.S.; Guisnet, M.R. . Catalyse en Chimie Organique)

    1995-02-01

    A detailed kinetic model for a propane aromatization reaction over HZSM-5 and GaHZSM-5 is developed. Kinetic modeling results show that propane transformation over HZSM-5 occurs via protolytic cracking and hydrogen transfer routes. The contributions of both routes in propane conversion are established. Rate constants of propane transformation steps are found to be at least 1,000 times lower than the rate constants of diene formation steps, which, in turn, are the slowest among the acid-catalyzed olefin aromatization steps. Gallium introduced into ZSM-5 catalyst is active in dehydrogenation of propane into propene, of olefins into dienes, and of naphthenes into aromatics. At the same time, gallium species catalyze propane transformation into methane and ethene hydrogenation into ethane. Both latter reactions appear to be the main reasons for the limit to aromatics selectivity over GaHZSM-5 catalysts.

  17. Discovery of a novel nicotinic receptor antagonist for the treatment of nicotine addiction: 1-(3-Picolinium)-12-triethylammonium-dodecane dibromide (TMPD).

    PubMed

    Dwoskin, Linda P; Joyce, B Matthew; Zheng, Guangrong; Neugebauer, Nichole M; Manda, Vamshi K; Lockman, Paul; Papke, Roger L; Bardo, Michael T; Crooks, Peter A

    2007-10-15

    Limitations in efficacy and high relapse rates of currently available smoking cessation agents reveal the need for more efficacious pharmacotherapies. One strategy is to develop subtype-selective nicotinic receptor (nAChR) antagonists that inhibit nicotine-evoked dopamine (DA) release, the primary neurotransmitter involved in nicotine reward. Simple alkylation of the pyridino N-atom converts nicotine from a potent agonist into a potent antagonist. The classical antagonists, hexamethonium and decamethonium, differentiate between peripheral nAChR subtypes. Using a similar approach, we interconnected varying quaternary ammonium moieties with a lipophilic linker to provide N,N'-bis-nicotinium analogs, affording a lead compound, N,N'-dodecyl-1,12-diyl-bis-3-picolinium dibromide (bPiDDB), which inhibited nicotine-evoked DA release and decreased nicotine self-administration. The current work describes a novel compound, 1-(3-picolinium)-12-triethylammonium-dodecane dibromide (TMPD), a hybrid of bPiDDB and decamethonium. TMPD completely inhibited (IC(50)=500 nM) nicotine-evoked DA release from superfused rat striatal slices, suggesting that TMPD acts as a nAChR antagonist at more than one subtype. TMPD (1 microM) inhibited the response to acetylcholine at alpha3beta4, alpha4beta4, alpha4beta2, and alpha1beta1varepsilondelta receptors expressed in Xenopus oocytes. TMPD had a 2-fold higher affinity than choline for the blood-brain barrier choline transporter, suggesting brain bioavailability. TMPD did not inhibit hyperactivity in nicotine sensitized rats, but significantly and specifically decreased nicotine self-administration. Together, the results suggest that TMPD may have the ability to reduce the rewarding effect of nicotine with minimal side effects, a pharmacological profile indicative of potential clinical utility for the treatment of tobacco dependence.

  18. 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.

  19. 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.

  20. Documentation for propane fleet conversion cost-effectiveness model

    NASA Astrophysics Data System (ADS)

    Taylor, D.; Euritt, M.; Mahmassani, H.

    1992-10-01

    Increased emphasis on energy efficiency and air quality has resulted in a number of state and federal initiatives examining the use of alternative fuels for motor vehicles. Texas instituted an alternative fuels program for public fleet operations beginning in the 1991-92 fiscal year. Life-cycle cost/benefit models for evaluating the economic implications of the action have been developed at the University of Texas at Austin Center for Transportation Research for both compressed natural gas (CNG) and propane. The report documents the various input data, calculations, and assumptions of the Propane Net Present Value (NPV) model. A similar report (number 983-1) documents the same for the CNG model. Input data with constant values across different fleets and locations are discussed first and include basic parameters for on-board storage capacity, vehicle conversion costs, equipment salvage values, etc. Variable input data, reflecting a given fleet size, composition, and location, include the number and types of vehicles, fuel consumption, etc. The next section presents the formulas for the internal model calculations. The final section discusses the basic assumptions underlying the model.

  1. 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.

  2. 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.

  3. 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.

  4. [1,3-Bis(diphenylphosphino)propane]trichlorooxorhenium(V).

    PubMed

    Suescun, L; Mombrú, A W; Mariezcurrena, R A; Pardo, H; Russi, S; Kremer, C; Rivero, M; Kremer, E

    2000-08-01

    Trichlorooxo[1,3-propanediylbis(diphenylphosphine)-P,P ']rhenium(V), [ReCl(3)O(C(27)H(26)P(2))], crystallizes with four formula units per unit cell. The crystal structure consists of neutral complexes of [ReOCl(3)(dppp)] [dppp is 1,3-bis(diphenylphosphino)propane] packed by H.pi-ring interactions. The Re atom is octahedrally coordinated to the oxo anion, three Cl atoms and two P atoms from the dppp ligand. The six-membered ring formed by the bidentate dppp ligand and the rhenium metal centre is in a chair conformation. The title compound is an intermediate in the synthesis of bis(dppp) complexes of rhenium.

  5. Propane-1,3-diammonium dichromate(VI).

    PubMed

    Trabelsi, Sonia; Marouani, Houda; Al-Deyab, Salem S; Rzaigui, Mohamed

    2012-08-01

    The title compound, (C(3)H(12)N(2))[Cr(2)O(7)], consists of a discrete dichromate anion with an eclipsed conformation and a propane-1,3-diammonium cation. Both kinds of ions have a mirror plane passing through the bridging O atom and the central methyl-ene C atom of the Cr(2)O(7) (2-) and C(3)H(12)N(2) (2+) moieties, respectively. Anions and cations are alternately stacked to form columns parallel to the b axis. Ions are linked by intra- and inter-column hydrogen bonds of types N-H⋯O and C-H⋯O, involving O atoms of the dichromate anions as acceptors, and ammonium or methyl-ene groups as donors.

  6. Performance of an Experimental Annular Turbojet Combustor with Methane and Propane

    NASA Technical Reports Server (NTRS)

    Norgren, Carl T

    1957-01-01

    Combustion efficiencies obtained with gaseous methane were compared with reported data obtained with gaseous propane for the same experimental combustor configuration. The combustion efficiencies obtained with methane were 98, 91, and 77 percent at simulated flight altitudes of 56,000, 70,000 and 80,000 feet, corresponding to combustor inlet-air pressures from 15 to 5 inches of mercury absolute. Combustion efficiencies with propane were equivalent to those with methane up to a simulated altitude of 70,000 feet. At the most severe conditions investigated propane operated with a higher efficiency and over a wider range of fuel-air ratio than methane.

  7. 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.

  8. 1,2 Dibromo-3-chloropropane (DBCP) and ethylene dibromide (EDB) in well water in the Fresno/Clovis metropolitan area, California.

    PubMed

    Kloos, H

    1996-01-01

    Ground-water contamination with the pesticides 1,2 dibromo-3-chloropropane (DBCP) and ethylene dibromide (EDB) affects Fresno/Clovis city in California. The spatial and temporal distribution of DBCP and EDB in public wells in Fresno/Clovis was examined, using mapping and time-series analyses of chemical test results, during the time periods 1979-1980 and 1992-1993. Health risks were estimated from mean concentrations, lifetime cancer risks were estimated, and monitoring and control programs were reviewed. Mean DBCP concentrations in selected wells declined from 0.56 ppb in 1979-1980 to 0.18 ppb in 1992-1993. Closure of wells and wellhead filtration caused levels to be reduced further (i.e., to 0.06 ppb). Mean EDB concentrations declined from 0.25 ppb to 0.15 ppb during the same time periods. The estimated lifetime cancer risk for DBCP was 1 excess death per 125 000 population in 1992-1993, but this risk varied within the city. The risk for EDB was 1 excess death per 2.2 million. Recommendations were made for the modeling of pesticide movement in ground water and for epidemiological studies.

  9. Improving the understanding of DNA-propanediyl-1,3-bis(dodecyldimethylammonium) dibromide interaction using thermodynamic, structural and kinetic approaches.

    PubMed

    Grueso, Elia; Kuliszewska, Edyta; Prado-Gotor, Rafael; Perez-Tejeda, Pilar; Roldan, Emilio

    2013-12-14

    A kinetic, thermodynamic and structural study of the interaction of the gemini surfactant propanediyl-1,3-bis(dimethyldodecylammonium dibromide) (12-3-12.2Br) with calf thymus DNA was carried out at several ionic strengths (NaCl) in aqueous solutions. A new 12-3-12(2+)-selective membrane was prepared in order to gain insight into the factors that control the binding of 12-3-12.2Br to DNA. We used ethidium bromide (EB) as a fluorescence probe to follow the kinetics of the interaction by using the stopped-flow fluorescence technique. The results can be explained in terms of a reaction mechanism involving two consecutive reversible (fast and slow) steps. The fast step was attributed to the union/separation of the surfactant with/from the DNA polynucleotide. Changes in the kinetic constants in the forward and backward directions were discussed in terms of the Brönsted-Pitzer equation and of the increase in hydrophobic interactions of the surfactant tails as a consequence of salting-out effects, respectively. The slow step corresponds to a conformational change of the surfactant-DNA complex to a more compacted form. The equilibrium constant, calculated from the forward and reverse rate constants of these steps, agrees with the results obtained from potentiometric titration using a 12-3-12-(2+) selective electrode.

  10. 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.

  11. 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.

  12. Burning of the Supersonic Propane-Air Mixture in the Aerodynamic Channel With the Stagnant Zone

    DTIC Science & Technology

    2007-11-02

    V.Chernikov, V.Shibkov, O.Surkont. Mechanisms of transversal electric discharge sustention in supersonic air and propane-air flows. -American Institute of Aeronautics and Astronautics, AIAA Paper, 2003, No.03-0872, p. 1 -6 .

  13. 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.

  14. 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...

  15. 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.

  16. 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.

  17. Deposit formation in hydrocarbon rocket fuels with an evaluation of a propane heat transfer correlation

    NASA Technical Reports Server (NTRS)

    Masters, P. A.; Aukerman, C. A.

    1982-01-01

    A high pressure fuel coking testing apparatus was designed and developed and was used to evaluate thermal decomposition limits and carbon decomposition rates in heated copper tubes for hydrocarbon fuels. A commercial propane (90% grade) and chemically pure (CP) propane were tested. Heat transfer to supercritical propane was evaluated at 136 atm, bulk fluid velocities of 6 to 30 m/s, and tube wall temperatures in the range of 422 to 811 K. A forced convection heat transfer correlation developed in a previous test effort verified a prediction of most of the experimental data within a + or - 30% range, with good agreement for the CP propane data. No significant differences were apparent in the predictions derived from the correlation when the carbon resistance was included with the film resistance. A post-test scanning electron microprobe analysis indicated occurrences of migration and interdiffusion of copper into the carbon deposit.

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

    SciTech Connect

    2016-01-12

    School districts across the country are under pressure to reduce their cost of operations and ensure their budgets are spent wisely. School bus fleets operate more than 675,000 buses in the United States, and many school districts have found the answer to their budget woes in the form of propane, or liquefied petroleum gas (LPG). Propane is a reliable, domestic fuel, and it's used in approximately 2% of school buses nationwide.

  19. 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.

  20. Spectroscopic studies of cryogenic fluids: Benzene in propane

    NASA Astrophysics Data System (ADS)

    Nowak, R.; Bernstein, E. R.

    1987-03-01

    Energy shifts and bandwidths for the 1B2u↔1A1g optical absorption and emission transitions of benzene dissolved in propane are presented as a function of pressure, temperature, and density. Both absorption and emission spectra exhibit shifts to lower energy as a function of density, whereas no shifts are observed if density is kept constant and temperature and pressure are varied simultaneously. Density is thus the fundamental microscopic parameter for energy shifts of optical transitions. The emission half-width is a linear function of both temperature and pressure but the absorption half-width is dependent only upon pressure. These results are interpreted qualitatively in terms of changes occurring in the intermolecular potentials of the ground and excited states. Both changes in shape of and separation between the ground and excited state potentials are considered as a function of density. Classical dielectric (Onsager-Böttcher), microscopic dielectric (Wertheim) and microscopic quantum statistical mechanical (Schweizer-Chandler) theories of solvent effects on solute electronic spectra are compared with the experimental results. Calculations suggest limited applicability of dielectric theories but good agreement between experiment and microscopic theory. The results demonstrate the usefulness of cryogenic solutions for high pressure, low temperature spectroscopic studies of liquids.

  1. 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.

  2. Lean and ultralean stretched propane-air counterflow flames

    SciTech Connect

    Cheng, Zhongxian; Pitz, Robert W.; Wehrmeyer, Joseph A.

    2006-06-15

    Stretched laminar flame structures for a wide range of C{sub 3}H{sub 8}-air mixtures vs hot products are investigated by laser-based diagnostics and numerical simulation. The hot products are produced by a lean H{sub 2}-air premixed flame. The effect of stretch rate and equivalence ratio on four groups of C{sub 3}H{sub 8}-air flame structures is studied in detail by Raman scattering measurements and by numerical calculations of the major species concentration and temperature profiles. The equivalence ratio, f, is varied from a near-stoichiometric condition (f=0.86) to the sublean limit (f=0.44) and the stretch rate varies from 90 s{sup -1} to near extinction. For most of these C{sub 3}H{sub 8}-air lean mixtures, hot products are needed to maintain the flame. The significant feature of these flames is the relatively low flame temperatures (1200-1800 K). For this temperature range, the predicted C{sub 3}H{sub 8}-air flame structure is sensitive to the specific chemical kinetic mechanism. Two types of flame structures (a lean self-propagating flame and a lean diffusion-controlled flame) are obtained based on the combined effect of stretch and equivalence ratio. Three different mechanisms, the M5 mechanism, the Optimized mechanism, and the San Diego mechanism, are chosen for the numerical simulations. None of the propane chemical mechanisms give good agreement with the data over the entire range of flame conditions. (author)

  3. Divergent Metabolic Pathways for Propane and Propionate Utilization by a Soil Isolate1

    PubMed Central

    Vestal, J. R.; Perry, Jerome J.

    1969-01-01

    The metabolism of propane and propionate by a soil isolate (Brevibacterium sp. strain JOB5) was investigated. The presence of isocitrate lyase in cells grown on isopropanol, acetate, or propane and the absence of this inducible enzyme in n-propanol- and propionate-grown cells suggested that propane is not metabolized via C-terminal oxidation. Methylmalonyl coenzyme A mutase and malate synthase are constitutive in this organism. The incorporation of 14CO2 into pyruvate accumulated during propionate utilization suggests that propionate is metabolized via the methyl-malonyl-succinate pathway. These results were further substantiated by radiorespirometric studies with propionate-1-14C, -2-14C, and -3-14C as substrate. Propane -2-14C was shown, by unlabeled competitor experiments, to be oxidized to acetone; acetone and isopropanol are oxidized in this organism to acetol. Cleavage of acetol to acetate and CO2 would yield the inducer for the isocitrate lyase present in propane-grown cells. PMID:5802607

  4. 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.

  5. Epoxidation of Short-Chain Alkenes by Resting-Cell Suspensions of Propane-Grown Bacteria

    PubMed Central

    Hou, Ching T.; Patel, Ramesh; Laskin, Allen I.; Barnabe, Nancy; Barist, Irene

    1983-01-01

    Sixteen new cultures of propane-utilizing bacteria were isolated from lake water from Warinanco Park, Linden, N.J. and from lake and soil samples from Bayway Refinery, Linden, N.J. In addition, 19 known cultures obtained from culture collections were also found to be able to grow on propane as the sole carbon and energy source. In addition to their ability to oxidize n-alkanes, resting-cell suspensions of both new cultures and known cultures grown on propane oxidize short-chain alkenes to their corresponding 1,2-epoxides. Among the substrate alkenes, propylene was oxidized at the highest rate. In contrast to the case with methylotrophic bacteria, the product epoxides are further metabolized. Propane and other gaseous n-alkanes inhibit the epoxidation of propylene. The optimum conditions for in vivo epoxidation are described. Results from inhibition studies indicate that a propane monooxygenase system catalyzes both the epoxidation and hydroxylation reactions. Experiments with cell-free extracts show that both hydroxylation and epoxidation activities are located in the soluble fraction obtained after 80,000 × g centrifugation. PMID:16346338

  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.

  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. Enthalpies and entropies of vaporization of propan-2-ol-2-methylpropan-1-ol solutions

    NASA Astrophysics Data System (ADS)

    Baev, A. A.; Baev, A. K.

    2014-03-01

    P-T-x dependences are measured for the solutions of a propan-2-ol-2-methylpropan-1-ol binary system and the enthalpies and entropies of vaporization are determined. Dimerization in propan-2-ol and 2-methylpropan-1-ol is rationalized and the contribution from energy introduced by isostructural methyl groups to the enthalpy of vaporization is determined. Structural and energy analyses of solutions with networks of specific interactions are performed. The formation of heterodimers in solutions and vapors with reduced hydrogen bond energies and specific interactions with the 2 s 2(C) unshared electron pairs of the carbon atoms of terminal methyl groups in ethyl and propyl fragments of propan-2-ol and 2-methylpropan-1-ol, respectively, is substantiated. The hydrogen bond energy of heterodimers is estimated.

  9. Concentration of mechanical pulp mill effluents and NaCl solutions through propane hydrate formation

    SciTech Connect

    Ngan, Y.T.; Englezos, P.

    1996-06-01

    In this work, recovery of water from mechanical pulp mill effluents and 2.5 wt% NaCl solutions through propane hydrate formation was investigated. A new apparatus in which hydrate nucleation, growth, separation, and melting occur in one vessel was designed and built. The emphasis of the work was on crystal separation. The average reduction in the salt content of the recovered water from the NaCl solutions was found to be 31%. Displacement with propane could increase the amount of recovered water at the same purity level. Further improvement in the purity could be accomplished with washing with water. The results with the effluents showed that the total organic carbon and the salt content of the recovered water were lower by 23 and 26%, respectively, from the levels in the effluent. Improved separation could be achieved by displacement with liquid propane.

  10. Explosive-driven shock wave and vortex ring interaction with a propane flame

    NASA Astrophysics Data System (ADS)

    Giannuzzi, P. M.; Hargather, M. J.; Doig, G. C.

    2016-11-01

    Experiments were performed to analyze the interaction of an explosively driven shock wave and a propane flame. A 30 g explosive charge was detonated at one end of a 3-m-long, 0.6-m-diameter shock tube to produce a shock wave which propagated into the atmosphere. A propane flame source was positioned at various locations outside of the shock tube to investigate the effect of different strength shock waves. High-speed retroreflective shadowgraph imaging visualized the shock wave motion and flame response, while a synchronized color camera imaged the flame directly. The explosively driven shock tube was shown to produce a repeatable shock wave and vortex ring. Digital streak images show the shock wave and vortex ring propagation and expansion. The shadowgrams show that the shock wave extinguishes the propane flame by pushing it off of the fuel source. Even a weak shock wave was found to be capable of extinguishing the flame.

  11. The effects of ethylene dibromide on semen quality and fertility in the rabbit: evaluation of a model for human seminal characteristics.

    PubMed

    Williams, J; Gladen, B C; Turner, T W; Schrader, S M; Chapin, R E

    1991-05-01

    Mature (12 months old) male New Zealand White rabbits (8-10/group) were dosed subcutaneously with ethylene dibromide (EDB) in corn oil (untreated and vehicle controls, 15, 30, or 45 mg/kg body wt/day for 5 days). Weekly semen samples (for 6 weeks preexposure, during treatment, and 12 weeks postdosing [pd]) were analyzed for sperm concentration, number, morphology, viability, and motion parameters (velocity, linearity, beat cross-frequency, amplitude of lateral head displacement (ALH), and circularity), and semen pH, osmolality, volume, fructose, citric acid, carnitine, protein, and acid phosphatase (AP). Male fertility was assessed preexposure and at 4 and 12 weeks pd by artificial insemination of three females/male/time point with one million motile sperm. The percentage pregnant females, litter size, fetal body weights, and structural development were assessed. In the 45 mg/kg dose group of males there was 30% mortality and liver damage in 43% of the survivors as evidenced by increased levels of serum enzymes. Also in this group, EDB produced significant decreases in sperm velocity, percentage motility, and ALH (up to 25% at various times pd). There were also dose-related decreases in semen pH (up to 2%) and total ejaculate volume (up to 23%, 15 and 30 mg/kg dose groups only). AP activities were significantly elevated (up to 116%) 2 weeks pd in the 45 mg/kg dose group. All other semen parameters evaluated were unaffected. Male fertility and fetal structural development were also unaffected. Of the seven semen parameters perturbed by EDB in humans (Schrader et al., 1988), four were also affected in the rabbit (sperm velocity, percentage motility, pH, and volume), whereas sperm number, viability, and morphology were not. Thus, some of the male reproductive effects of EDB in the human have been modelled in the rabbit, although the rabbit appears not to be as sensitive, since semen parameters were affected only at doses close to the LD50 (55 mg/kg). The present study

  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. Toxicological investigation of liquid petroleum gas explosion: human model for propane/ethyl mercaptan exposures.

    PubMed

    Lowry, W T; Gamse, B; Armstrong, A T; Corn, J M; Juarez, L; McDowell, J L; Owens, R

    1991-03-01

    Four individuals died as the result of a propane explosion. As with many propane explosions, the question was raised as to the adequacy of the product's odorization after the autopsy studies had been conducted. In most cases, this question leads to litigation. Ethyl mercaptan is a widely used odorant for propane and was used in this instance. Three of the four victims had blood available at autopsy for study. Quantitative analyses of the victims' blood, obtained during autopsy, were performed using gas chromatography/mass spectrometry, without subjecting the samples to hydrolysis. These analyses determined the relative amounts of propane and ethyl mercaptan in the blood to be 90, 63, and 175 mL/m3 headspace, and 0.36, 0.34, and 0.77 microgram/L blood, respectively. Since mercaptans have been reported in human blood as products of metabolism, modeling studies were conducted to establish the validity of the autopsy data and to develop an autopsy toxicology protocol for investigating explosion deaths. When subjects were not exposed to an atmosphere containing ethyl mercaptan, dimethylsulfide was the only mercaptan detectable in their blood without severe hydrolysis prior to analysis. Metabolic ethyl mercaptan is sufficiently bound to be undetectable by the methods used without hydrolysis. Human subjects were exposed to a flammable mixture of air and propane odorized with ethyl mercaptan. The analyses of the blood from these subjects produced results which were comparable with those for the explosion victims, establishing that the question of odorant adequacy can be addressed at the autopsy of propane explosion victims. It is extremely important that the pathologist and toxicologist investigating gas explosion deaths recognize the valuable evidence existing in the victim's blood.

  14. 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... underground parking facilities? Federal agencies must not permit privately owned vehicles converted for propane carburetion to enter underground parking facilities unless the owner provides to the...

  15. 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

    ... vehicles converted for propane carburetion permitted in underground parking facilities? 102-74.280 Section... underground parking facilities? Federal agencies must not permit privately owned vehicles converted for propane carburetion to enter underground parking facilities unless the owner provides to the...

  16. Metabolism of Propane, n-Propylamine, and Propionate by Hydrocarbon-Utilizing Bacteria1

    PubMed Central

    Blevins, W. T.; Perry, J. J.

    1972-01-01

    Studies were conducted on the oxidation and assimilation of various three-carbon compounds by a gram-positive rod isolated from soil and designated strain R-22. This organism can utilize propane, propionate, or n-propylamine as sole source of carbon and energy. Respiration rates, enzyme assays, and 14CO2 incorporation experiments suggest that propane is metabolized via methyl ketone formation; propionate and n-propylamine are metabolized via the methylmalonyl-succinate pathway. Isocitrate lyase activity was found in cells grown on acetate and was not present in cells grown on propionate or n-propylamine. 14CO2 was incorporated into pyruvate when propionate and n-propylamine were oxidized in the presence of NaAsO2, but insignificant radioactivity was found in pyruvate produced during the oxidation of propane and acetone. The n-propylamine dissimilatory mechanism was inducible in strain R-22, and amine dehydrogenase activity was detected in cells grown on n-propylamine. Radiorespirometer and 14CO2 incorporation studies with several propane-utilizing organisms indicate that the methylmalonyl-succinate pathway is the predominant one for the metabolism of propionate. PMID:16559164

  17. 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.

  18. Synthesis and characterization of energetic salts based on the new propan-2-ylidene methanetriamium cations

    NASA Astrophysics Data System (ADS)

    Zhang, Tao; Liu, Long; Li, Chunshan; Zhang, Yanqiang; Li, Zengxi; Zhang, Suojiang

    2014-06-01

    Development of new hypergolic ionic liquids is the key in replacing toxic N,N-dimethylhydrazine as green liquids propellants. Three salts based on the new propan-2-ylidene methanetriamium cations and dicyanamide anion were synthesized and characterized by 1H and 13C NMR, IR and Raman spectroscopy, elemental analysis, and TG/DTA. In addition, their crystal structures were determined by X-ray single crystal diffraction. N-(propan-2-ylidene) methanetriamium dicyanamide (1) crystallizes in the monoclinic space group P21/n, N,N‧-bi(propan-2-ylidene) methanetriamium dicyanamide (2) in triclinic P - 1, and N,N‧,N″-tri(propan-2-ylidene) methanetriamium dicyanamide (3) in monoclinic C2/c. With heats of formation (from 1.56 to 1.80 kJ g-1) and densities (from 1.19 to 1.31 g cm-3) in hand, the detonation pressure (P) and velocity (D), and specific impulse (Isp) values of salts were calculated as 8.94 GPa, 4989 m s-1 and 174.3 s (1), 7.91 GPa, 4815 m s-1 and 179.0 s (2), and 7.33 GPa, 4693 m s-1 and 180.6 s (3), respectively. Impact sensitivities of 1, 2 and 3 were measured to be no less than 40 J by hammer tests, which places these salts in the insensitive class. Moreover, the resulting salts are hypergolic with white fuming nitric acid and exhibit potential as bipropellants.

  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. A Theoretical Study of the Methyl and Aldehyde Torsion FIR Spectra in Symmetric Propanal Isotopomers

    NASA Astrophysics Data System (ADS)

    Smeyers, Y. G.; Villa, M.; Uc, V. H.; Vivier-Bunge, A.

    2000-05-01

    This paper is an extension of the techniques developed by us [A. Vivier-Bunge, V. H. Uc, and Y. G. Smeyers, J. Chem. Phys. 109, 2279 (1998)] for standard propanal. In that paper the potential energy surface for the simultaneous methyl and asymmetric aldehydic torsions was calculated at RHF/MP2 level using the 6-311(3df,p) basis set for propanal. The fit of the energy values to symmetry-adapted functional forms was carried out by using the 28 energy values which retain the C3 dynamical symmetry of the methyl group in the optimization procedure. With this potential, as well as with the kinetic parameters and the electric dipole moment variations, the FIR frequencies and intensities for the methyl and aldehyde torsions of seven symmetric isotopomers of propanal were determined theoretically using two-dimensional calculations. The calculated spectra of propanal and three of its isotopomers were compared with the available experimental data. It is found that the calculations for the cis conformer satisfactorily reproduce the aldehyde and methyl torsion spectra and furnish also methyl torsionally excited progressions for the aldehyde torsion modes. The methyl torsion frequencies agree especially well whenever the methyl group is nondeuterated. The small deviations encountered for the deuterated compound are probably due to some mass effect, such as the zero-point vibrational energy correction, which is not taken into account in the present calculations. Finally, the influence of the deuteration on the intensities is discussed.

  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. 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...

  5. 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.

  6. Zinc-substituted ZIF-67 nanocrystals and polycrystalline membranes for propylene/propane separation.

    PubMed

    Wang, Chongqing; Yang, Fan; Sheng, Luqian; Yu, Jian; Yao, Kexin; Zhang, Lixiong; Pan, Yichang

    2016-10-18

    Continuous ZIF-67 polycrystalline membranes with effective propylene/propane separation performances were successfully fabricated through the incorporation of zinc ions into the ZIF-67 framework. The separation factor increases from 1.4 for the pure ZIF-67 membrane to 50.5 for the 90% zinc-substituted ZIF-67 membrane.

  7. 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...

  8. 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...

  9. 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...

  10. 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...

  11. 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...

  12. 40 CFR 1065.341 - CVS and batch sampler verification (propane check).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... (CONTINUED) AIR POLLUTION CONTROLS ENGINE-TESTING PROCEDURES Calibrations and Verifications Flow-Related... from the piping configuration upstream of the flow meter adversely affect the flow measurement. (7... measurements and CVS flow rate measurements with the reference value. (c) Prepare for the propane check...

  13. 40 CFR 1065.341 - CVS, PFD, and batch sampler verification (propane check).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... AGENCY (CONTINUED) AIR POLLUTION CONTROLS ENGINE-TESTING PROCEDURES Calibrations and Verifications Flow... from the piping configuration upstream of the flow meter adversely affect the flow measurement. (7... measurements and CVS flow rate measurements with the reference value. (c) Prepare for the propane check...

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

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... (CONTINUED) AIR POLLUTION CONTROLS ENGINE-TESTING PROCEDURES Calibrations and Verifications Flow-Related... from the piping configuration upstream of the flow meter adversely affect the flow measurement. (7... measurements and CVS flow rate measurements with the reference value. (c) Prepare for the propane check...

  15. 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...

  16. 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

  17. 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.

  18. A comparison of the ability of a new bispyridinium oxime--1-(4-hydroxyiminomethylpyridinium)-4-(4-carbamoylpyridinium)butane dibromide and currently used oximes to reactivate nerve agent-inhibited rat brain acetylcholinesterase by in vitro methods.

    PubMed

    Kuca, K; Kassa, J

    2003-12-01

    The efficacy of a new bispyridinium oxime 1-(4-hydroxyiminomethylpyridinium)-4-(4-carbamoylpyridinium)butane dibromide, called K048, and currently used oximes (pralidoxime, obidoxime, the oxime HI-6) to reactivate acetylcholinesterase inhibited by various nerve agents (sarin, tabun, cyclosarin, VX) was tested by in vitro methods. The new oxime K048 was found to be a more efficacious reactivator of nerve agent-inhibited acetylcholinesterase than pralidoxime (in the case of VX, tabun and cyclosarin), obidoxime (cyclosarin and tabun) and HI-6 (tabun) but it did not reach the efficacy of currently used oximes for the reactivation of acetylcholinesterase inhibited by sarin. Thus, the oxime K048 seems to be a relatively efficacious broad spectrum acetylcholinesterase reactivator and, therefore, it could be useful for the treatment of a nerve agent-exposed population if information about detection of the type of nerve agent is not available.

  19. 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.

  20. Propane respiration jump-starts microbial response to a deep oil spill.

    PubMed

    Valentine, David L; Kessler, John D; Redmond, Molly C; Mendes, Stephanie D; Heintz, Monica B; Farwell, Christopher; Hu, Lei; Kinnaman, Franklin S; Yvon-Lewis, Shari; Du, Mengran; Chan, Eric W; Garcia Tigreros, Fenix; Villanueva, Christie J

    2010-10-08

    The Deepwater Horizon event resulted in suspension of oil in the Gulf of Mexico water column because the leakage occurred at great depth. The distribution and fate of other abundant hydrocarbon constituents, such as natural gases, are also important in determining the impact of the leakage but are not yet well understood. From 11 to 21 June 2010, we investigated dissolved hydrocarbon gases at depth using chemical and isotopic surveys and on-site biodegradation studies. Propane and ethane were the primary drivers of microbial respiration, accounting for up to 70% of the observed oxygen depletion in fresh plumes. Propane and ethane trapped in the deep water may therefore promote rapid hydrocarbon respiration by low-diversity bacterial blooms, priming bacterial populations for degradation of other hydrocarbons in the aging plume.

  1. [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.

  2. Observation of propane cluster size distributions during nucleation and growth in a Laval expansion

    NASA Astrophysics Data System (ADS)

    Ferreiro, Jorge J.; Chakrabarty, Satrajit; Schläppi, Bernhard; Signorell, Ruth

    2016-12-01

    We report on molecular-level studies of the condensation of propane gas and propane/ethane gas mixtures in the uniform (constant pressure and temperature) postnozzle flow of Laval expansions using soft single-photon ionization by vacuum ultraviolet light and mass spectrometric detection. The whole process, from the nucleation to the growth to molecular aggregates of sizes of several nanometers (˜5 nm), can be monitored at the molecular level with high time-resolution (˜3 μs) for a broad range of pressures and temperatures. For each time, pressure, and temperature, a whole mass spectrum is recorded, which allows one to determine the critical cluster size range for nucleation as well as the kinetics and mechanisms of cluster-size specific growth. The detailed information about the size, composition, and population of individual molecular clusters upon condensation provides unique experimental data for comparison with future molecular-level simulations.

  3. 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.

  4. Thermophysical properties of propane from 85 to 700/sup 0/K at pressures to 70 MPa

    SciTech Connect

    Goodwin, R.D.; Haynes, W.M.

    1982-04-01

    Thermophysical properties of propane are tabulated at integral temperatures over the entire range of fluid states from 85 to 700/sup 0/K along isobars to 70 MPa by using a modified form of the nonanalytic equation of state. These tables, along with a table for the saturated liquid, include values for density, compressibility factor, internal energy, enthalpy, entropy, heat capacities, fugacity, sound velocity, dielectric constant, and isochore and isotherm derivatives. In addition to the equation of state, equations are presented for vapor pressures, orthobaric vapor and liquid densities, ideal gas properties, virial coefficients, dielectric constants, heats of vaporization, melting C, and orthobaric liquid specific heats, enthalpies, and entropies. Coefficients were determined by a least squares fit of selected experimental data, including several new sets of data not included in previous propane correlations. Comparisons between experimental and calculated values are given, including those for sound velocities, heat capacities, P-rho-T data, etc.

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

    NASA Astrophysics Data System (ADS)

    Tsampas, Michail; Kambolis, Anastasios; Obeid, Emil; Lizarraga, Leonardo; Sapountzi, Foteini; Vernoux, Philippe

    2013-08-01

    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.

  6. 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.

  7. Catalytic ozonation of propanal using wood fly ash and metal oxide nanoparticle impregnated carbon.

    PubMed

    Kastner, James R; Ganagavaram, Rangan; Kolar, Praveen; Teja, Amyn; Xu, Chunbao

    2008-01-15

    Catalytic ozonation of propanal at ambient temperatures (23-25 degrees C) was investigated by varying propanal and ozone concentrations and catalyst type. The catalysts tested included wood fly ash (WFA), magnetically separated ash, synthetic hematite and magnetite, and metal oxide nanoparticle impregnated activated carbon and peanut hull char. A power law model independent of ozone concentration for WFA (r(w), moles g(-1) s(-1)) and magnetite (r(m)) were, respectively, r(w) = k'(w) C(R(0.89)) and r(m) = k'(m)C(R(1.55)), where kw, and k'(m) were 2.36 x 10(-6) g(-1) s(-1) (moles)(-0.11) (m3)(0.89) and 6.5 x 10(-4) g(-1) s(-1) (moles)(-0.55) (m3)(1.55), respectively (5-15 ppmv). Magnetite and hematite present in the WFA were theorized to be the primary active sites, since magnetically separated WFA had a significantly higher reaction rate (approximately 12x, mol m(-2) s(-1)) than that of WFA. X-ray diffraction analysis demonstrated a qualitative increase in magnetite and hematite in the magnetically separated ash, and synthetic magnetite and hematite had reaction rates >80x and 200x that of WFA or activated carbon (surface area basis). Supercritical deposition of hematite on/in peanut hull char successfully generated a porous, pelleted catalystfrom an agricultural residue capable of oxidizing propanal at rates 12x activated carbon and similar to commercially available catalysts (per mass basis). Water vapor significantly increased the propanal reaction rate when using wood fly ash and activated carbon.

  8. Numerical and experimental analysis of propane-hydrogen mixture ignition in air

    NASA Astrophysics Data System (ADS)

    Sevrouk, K. L.; Krivosheyev, P. N.; Penyazkov, O. G.; Torohov, S. A.; Titova, N. S.; Starik, A. M.

    2016-11-01

    The addition of hydrogen to the various hydrocarbon fuels being examined as a promising method for increasing the efficiency of the engine while improving their emission characteristics. This work is dedicated to experimental investigation of the ignition delay time C3H8-H2 mixture in the air and analysis of the mechanisms responsible for the acceleration of chain reactions with the addition of hydrogen in propane, based on numerical simulation.

  9. Update from the Analysis of High Resolution Propane Spectra and the Interpretation of Titan's Infrared Spectra

    NASA Astrophysics Data System (ADS)

    Klavans, V.; Nixon, C.; Hewagama, T.; Jennings, D. E.

    2012-04-01

    Titan has an extremely thick atmosphere dominated by nitrogen, but includes a range of trace species such as hydrocarbons and nitriles. One such hydrocarbon is propane (C3H8). Propane has 21 active IR bands covering broad regions of the mid-infrared. Therefore, its ubiquitous signature may potentially mask weaker signatures of other undetected species with important roles in Titan's chemistry. Cassini's Composite Infrared Spectrometer (CIRS) observations of Titan's atmosphere hint at the presence of such molecules. Unfortunately, C3H8 line atlases for the vibration bands ν8, ν21, ν20, and ν7 (869, 922, 1054, and 1157 cm-1, respectively) are not currently available for subtracting the C3H8 signal to reveal, or constrain, the signature of underlying chemical species. Using spectra previously obtained by Jennings, D. E., et al. at the McMath-Pierce FTIR at Kitt Peak, AZ, as the source and automated analysis utilities developed for this application, we are compiling an atlas of spectroscopic parameters for propane that characterize the ro-vibrational transitions in the above bands. In this paper, we will discuss our efforts for inspecting and fitting the aforementioned bands, present updated results for spectroscopic parameters including absolute line intensities and transition frequencies in HITRAN and GEISA formats, and show how these optical constants will be used in searching for other trace chemical species in Titan's atmosphere. Our line atlas for the ν21 band contains a total number of 2971 lines. The band integrated strength calculated for the ν21 band is 1.003 cm-1/(cm-atm). Fig. 1: Demonstration of Gaussian fit for sample spectral region 927.25 to 927.50 cm-1 (ν21). References: Jennings, D. E., et al.: "Foreign-gas pressure broadening parameters of propane near 748 cm-1". JQSRT, Vol. 42, pp. 399-403, 1989.

  10. 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.

  11. Michigan residential heating oil and propane price survey: 1995--1996 heating season. Final report

    SciTech Connect

    Moriarty, C.

    1996-05-01

    This report summarizes the results of a survey of residential No. 2 distillate fuel (home heating oil) and liquefied petroleum gas (propane) prices over the 1995--1996 heating season in Michigan. The Michigan`s Public Service Commission (MPSC) conducted the survey under a cooperative agreement with the US Department of Energy`s (DOE) Energy Information Administration (EIA). This survey was funded in part by a grant from the DOE. From October 1995 through March 1996, the MPSC surveyed participating distributors by telephone for current residential retail home heating oil and propane prices. The MPSC transmitted the data via a computer modem to the EIA using the Petroleum Electronic Data Reporting Option (PEDRO). Survey results were published in aggregate on the MPSC World Wide Web site at http://ermisweb.state.mi.us/shopp. The page was updated with both residential and wholesale prices immediately following the transmission of the data to the EIA. The EIA constructed the survey using a sample of Michigan home heating oil and propane retailers. The sample accounts for different sales volumes, geographic location, and sources of primary supply.

  12. Theoretical Investigation of the Gas-Phase Reaction of CrO(+) with Propane.

    PubMed

    Beck, Jennifer E; Dudley, Timothy J

    2017-03-02

    Transition metal oxide cations (e.g., MO(+)) have been shown to oxidize small alkanes in the gas phase. The chromium oxide cation is of particular interest because it is more reactive than oxides of earlier transition metals but is more selective than oxides of later transition metals. The reaction of CrO(+) with propane has been shown to produce a number of products: propanol, propene, ethene, and hydrogen. Few theoretical studies exist for reactions of simple transition metal oxide cations with larger alkanes. We have analyzed the potential energy surfaces associated with the reaction of CrO(+) with propane using two DFT methods, B3LYP and M06-L. Energetically viable reaction paths leading to each experimentally observed product have been characterized. Each reaction path begins with formation of a reactive intermediate in which either an α- or β-hydrogen from propane is extracted by the oxygen atom of CrO(+). While pathways leading to formation of hydrogen and ethene were found to occur on a single spin surface, energetically viable pathways to forming propanol and propene require a transition from the quartet spin surface to the sextet surface. The minimum-energy crossing points between the quartet and sextet surfaces were found to be well below the energy level of the reactants and structurally resemble the initial reactive intermediates.

  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. Kinetics of Hydrogen Oxidation Downstream of Lean Propane and Hydrogen Flames

    NASA Technical Reports Server (NTRS)

    Fine, Burton

    1961-01-01

    The decay of hydrogen was measured downstream of lean, flat, premixed hydrogen and propane-air flames seated on cooled porous burners. Experimental variables included temperature, pressure, initial equivalence ratio and diluent. Sampling of burned gas was done through uncooled quartz orifice probes, and the analysis was based on gas chromatography. An approximate treatment of the data in which diffusion was neglected led to the following rate expression for the zone downstream of hydrogen flames d[H (sub 2)] divided by (d times t) equals 1.7 times 10 (sup 10) [H (sub 2)] (sup 3) divided by (sub 2) [O (sub 2)]e (sup (-8100 divided by RT)) moles per liters per second. On the basis of a rate expression of this form, the specific rate constant for the reaction downstream of hydrogen flames was about three times as great as that determined downstream of propane flames. This result was explained on the basis of the existence of a steady state between hydrogen and carbon monoxide in the burned gas downstream of propane flames.

  15. Cometabolic biodegradation of 1,2,3-trichloropropane by propane-oxidizing bacteria.

    PubMed

    Wang, Baixin; Chu, Kung-Hui

    2017-02-01

    1,2,3-Trichloropropane (TCP) is an emerging groundwater pollutant and suspected human carcinogen. TCP, a recalcitrant contaminant, has been detected in the subsurface near TCP manufacture facilities and many superfund sites. Considering the toxicity and the occurence of TCP, there is a need to seek for cost-effective treatment technologies for TCP-contaminated sites. This paper investigated TCP biodegradation by propane-oxidizing bacteria (PrOB) which are known to express propane monooxygenase (PrMO). PrMO can cometabolically degrade many different contaminants. Four PrOB, Rhodococus jostii RHA1, Mycobacterium vaccae JOB5, Rhodococcus rubber ENV425 and one isolate Sphingopyxis sp. AX-A were examined for their ability to degrade TCP. All the four PrOB resting cells were able to degrade TCP. Strain JOB5 exhibited the best TCP degradation ability (vinitial = 9.7 ± 0.7 μg TCP (mg protein)(-1)h(-1)). No TCP was degraded in the presence of acetylene (an inhibitor for PrMO), suggesting that PrMO might be responsible for TCP degradation. Furthermore, competitive inhibition was observed between propane and TCP, and between trichloroethylene (TCE) and TCP.

  16. 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.

  17. 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.

  18. A study of the xenon effect in type-II clathrate hydrate synthesis; Commencing with hydrogen, argon and xenon uptake into a propane clathrate hydrate

    NASA Astrophysics Data System (ADS)

    Abbondondola, Joanne Angela

    It has been proposed that clathrate hydrates can be a possible storage medium for alternative fuels, such as hydrogen. The type-II propane gas hydrate is a viable choice because there are twice as many small cages as large cages and the small cavities are available for hydrogen storage. However, propane hydrate formation is a kinetically slow process which makes it commercially unattractive. Our objectives were twofold; (1) to quantify hydrogen, argon and xenon sorption into a preformed type-II propane hydrate at near-ambient conditions and (2) to investigate the effect of xenon on the rate of type-II propane hydrate formation. The propane hydrate is synthesized from 250 mum ice grains, and is estimated to have a porosity of 65 %. Hydrogen is rapidly absorbed by the hydrate sample and approaches the equilibrium vapor pressure in an hour before a very slow residual absorption process ensues. For an initial hydrogen pressure of 1.5 MPa, about 4.5 % of the available 512 cages are occupied by hydrogen after one hour, and 4.9 % after 18 hours. In contrast, for both argon and xenon significantly more gas is absorbed by the hydrate, but at a much slower rate: about 5% as fast for xenon and 1% as fast for argon. We conclude that hydrogen readily diffuses through the propane hydrate microcrystal structure, while argon and xenon are probably absorbed by growing new double hydrate while consuming the propane hydrate. Thus, although considerably higher pressures would be required to store significant quantities of hydrogen in propane hydrate, it appears that the crystal can be loaded and emptied in relatively short amounts of time. Experimental results show that propane is incorporated into clathrate hydrate cages more rapidly using propane-xenon mixtures than for pure propane gas. For a 0.92 xenon: propane mix, 60% of the theoretical yield of propane enclathration is achieved in 20 minutes, versus several days for pure propane. It appears that xenon serves to nucleate the

  19. 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.

  20. 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.

  1. Emission measurements for a lean premixed propane/air system at pressures up to 30 atmospheres

    NASA Technical Reports Server (NTRS)

    Roffe, G.; Venkataramani, K. S.

    1978-01-01

    The emissions of a lean premixed system of propane/air were measured in a flametube apparatus. Tests were conducted at inlet temperatures of 600K and 800K and pressures of 10 atm and 30 atm over a range of equivalence ratios. The data obtained were combined with previous data taken in the same apparatus to correlate nitrogen oxide emissions with operating conditions. Sampling probe design was found to have a pronounced effect on measured CO levels but did not influence measurements. The most effective probe tested was one which combined thermal and pressure quenching of the gas sample.

  2. 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.

  3. 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.

  4. Liquid-state theory of hydrocarbon-water systems: Application to methane, ethane, and propane

    SciTech Connect

    Lue, L.; Blankschtein, D.

    1992-10-15

    The authors studied the structural and bulk thermodynamic properties of hydrocarbon (methane, ethane, and propane)-water systems as well as pure water using the site-site Ornstein-Zernike (SSOZ) equation under a variety of different closure relations in order to compare the quantitative predictive capabilities of the various closures. For the hydrocarbon-water systems, the simple point-charge(SPC) potential was used to model water, and the optimized potentials for liquid, simulation (OPLS) were used to model the hydrocarbons. 69 refs., 11 figs., 8 tabs.

  5. N,N'-(Propane-1,3-di-yl)bis-(2-amino-benzamide).

    PubMed

    Sreedasyam, Jagannatha Swamy; Sunkari, Jyothi; Kundha, Shashank; Gundapaneni, Raghava Rao

    2013-05-01

    The title compound, C17H20N4O2, was prepared by the reaction between 1,3-di-amino-propane and isatoic anhydride in water. The carbonyl O atoms are involved in intra-molecular hydrogen bonding with the amine group and inter-molecular hydrogen bonding with an amide H atom of an adjacent mol-ecule. In the crystal, pairs of N-H⋯O hydrogen bonds link mol-ecules into inversion dimers and further N-H⋯O hydrogen bonds link the dimers into ladder-like chains along the a axis.

  6. Vehicular fleet operation on natural gas and propane: An overview. Final research report

    SciTech Connect

    Taylor, D.B.; Mahmassani, H.; Euritt, M.A.

    1992-11-01

    The report attempts to contribute to the timely area of alternative vehicular fuels. It addresses the analysis of fleet operation on alternative fuels, specifically compressed natural gas (CNG) and propane, in terms of both fleet economics and societal impacts. Comprehensive information on engine technology, fueling infrastructure design, and societal impacts are presented. An evaluation framework useful for decisions between any vehicular fuels is developed. The comprehensive fleet cost-effectiveness analysis framework used in previous Project 983 reports is discussed in great detail. This framework/model is flexible enough to allow substantial sensitivity and scenario analysis. The model is used to perform sample analyses of both fleet economic and societal impacts.

  7. 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.

  8. 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.

  9. 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.

  10. Surface properties of turbulent premixed propane/air flames at various Lewis numbers

    SciTech Connect

    Lee, T.W.; North, G.L.; Santavicca, D.A. )

    1993-06-01

    Surface properties of turbulent premixed flames including the wrinkled flame perimeter, fraction of the flame pocket perimeter, flame curvature, and orientation distributions have been measured for propane-air flames at Lewis numbers ranging from 0.98 to 1.86 and u[prime]/S[sub L] = 1.42-5.71. The wrinkled flame perimeter is found to be greater for the thermodiffusively unstable Lewis number (Le < 1) by up to 30% in comparison to the most stable condition (Le = 1.86) tested, while the fraction of the flame pocket perimeter shows a similar tendency to be greater for Le < 1. The flame curvature probability density functions are nearly symmetric with respect to the zero mean at all Lewis numbers throughout the range of u[prime]/S[sub L] tested, and show a much stronger dependence on the turbulence condition than on the Lewis number. Similarly, the flame orientation distributions show a trend from anisotropy toward a more uniform distribution with increasing u[prime]/S[sub L] at a similar rate for all Lewis numbers. Thus, for turbulent premixed propane/air flames for a practical range of Lewis number from 0.98 to 1.86, the effect of Lewis number is primarily to affect the flame structures and thereby flame surface areas and flame pocket areas, while the flame curvature and orientation statistics are essentially determined by the turbulence properties.

  11. 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 .

  12. Metal–Organic Framework Supported Cobalt Catalysts for the Oxidative Dehydrogenation of Propane at Low Temperature

    PubMed Central

    2016-01-01

    Zr-based metal–organic frameworks (MOFs) have been shown to be excellent catalyst supports in heterogeneous catalysis due to their exceptional stability. Additionally, their crystalline nature affords the opportunity for molecular level characterization of both the support and the catalytically active site, facilitating mechanistic investigations of the catalytic process. We describe herein the installation of Co(II) ions to the Zr6 nodes of the mesoporous MOF, NU-1000, via two distinct routes, namely, solvothermal deposition in a MOF (SIM) and atomic layer deposition in a MOF (AIM), denoted as Co-SIM+NU-1000 and Co-AIM+NU-1000, respectively. The location of the deposited Co species in the two materials is determined via difference envelope density (DED) analysis. Upon activation in a flow of O2 at 230 °C, both materials catalyze the oxidative dehydrogenation (ODH) of propane to propene under mild conditions. Catalytic activity as well as propene selectivity of these two catalysts, however, is different under the same experimental conditions due to differences in the Co species generated in these two materials upon activation as observed by in situ X-ray absorption spectroscopy. A potential reaction mechanism for the propane ODH process catalyzed by Co-SIM+NU-1000 is proposed, yielding a low activation energy barrier which is in accord with the observed catalytic activity at low temperature. PMID:28149950

  13. 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).

  14. International comparison CCQM-K111—propane in nitrogen

    NASA Astrophysics Data System (ADS)

    van der Veen, Adriaan M. H.; Wouter van der Hout, J.; Ziel, Paul R.; Oudwater, Rutger J.; Fioravante, Andreia L.; Augusto, Cristiane R.; Coutinho Brum, Mariana; Uehara, Shinji; Akima, Dai; Bae, Hyun Kil; Kang, Namgoo; Woo, Jin-Chun; Liaskos, Christina E.; Rhoderick, George C.; Jozela, Mudalo; Tshilongo, James; Ntsasa, Napo G.; Botha, Angelique; Brewer, Paul J.; Brown, Andrew S.; Bartlett, Sam; Downey, Michael L.; Konopelko, L. A.; Kolobova, A. V.; Pankov, A. A.; Orshanskaya, A. A.; Efremova, O. V.

    2017-01-01

    This key comparison aims to assess the core capabilities of the participants in gas analysis. Such competences include, among others, the capabilities to prepare primary standard gas Mixtures (PSMs), perform the necessary purity analysis on the materials used in the gas mixture preparation, the verification of the composition of newly prepared PSMs against existing ones, and the capability of calibrating the composition of a gas mixture. According to the Strategy for Key Comparisons of the Gas Analysis Working Group, this key comparison is classified as a track A key comparison, which means that the results of this key comparison can be used to underpin calibration and measurement capabilities using the flexible scheme, and for propane under the default scheme. The artefacts were binary mixtures of propane in nitrogen at a nominal amount-of-substance fraction level of 1000 μmol/mol. The values and uncertainties from the gravimetric gas mixture preparation were used as key comparison reference values (KCRVs). Each transfer standard had its own KCRV. The results are generally good. All results but one are within +/- 0.2 % of the KCRV. Main text To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database kcdb.bipm.org/. The final report has been peer-reviewed and approved for publication by the CCQM, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).

  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. Pile a combustible a electrolyte polymere solide a consommation directe de gaz propane

    NASA Astrophysics Data System (ADS)

    Rodriguez Varela, Francisco Javier

    A Polymer Electrolyte Membrane Fuel Cell working with propane as the fuel has been studied. The propane was directly introduced into the cell without previous external reforming, resulting in a Direct Propane Fuel Cell (DPFC). Electrodes of composition 40% Pt/C and 40% PtRu/C (commercial), 20% PtOx/C and 20% Pt/C + 10% CrO3 (home-prepared) have been tested as anodes catalysts in the DPFC. Commercial NafionRTM 117 membranes were used as polymer electrolytes. The anode electrocatalysts were also tested in a H2/O2 fuel cell in order to asses their electrocatalytical characteristics. It has been shown by the polarization curves that the anodes based on 40% Pt/C and 40% PtRu/C provide higher current densities from the H2 /O2 fuel cell than the anodes 20% PtOx/C and 20% Pt/C + 10% CrO3. However, a more in-depth analysis has revealed important features of both home-prepared anodes. For example, relatively high current densities were obtained from these electrocatalysts during the oxidation of H2. Also, the lower open circuit anode potential for the oxidation of H2 has been obtained with the anode 20% PtOx/C. On the other hand, the current density at high cell potentials (970 mV) of the fuel cell based on the anode 20% Pt/C + 10% CrO3 was higher than the current densities of 40% Pt/C and 40% PtRu/C. Kinetic data has shown that the catalyst 20% Pt/C + 10% CrO3 provided a more important exchange current density than the rest of the anode catalysts. It has also been shown that 20% Pt/C + 10% CrO3 possess the largest mass activity while the lower mass activity is that of the catalyst 40% Pt/C. These results have revealed that the home-prepared anodes based on 20% PtOx/C and 20% Pt/C + 10% CrO 3 have important electrocatalytic characteristics for PEM fuel cells applications. Samples of the electrocatalysts were analysed by X-ray diffraction and transmission electron microscopy. A polycrystalline structure has been shown for all Pt-based materials except for 20% PtOx/C which

  18. 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

  19. Recovery Act: Demonstration of a SOFC Generator Fueled by Propane to Provide Electrical Power to Real World Applications

    SciTech Connect

    Bessette, Norman

    2016-08-01

    The objective of this project provided with funds through the American Recovery and Reinvestment Act of 2009 (ARRA) was to demonstrate a Solid Oxide Fuel Cell (SOFC) generator capable of operation on propane fuel to improve efficiency and reduce emissions over commercially available portable generators. The key objectives can be summarized as: Development of two portable electrical generators in the 1-3kW range utilizing Solid Oxide Fuel Cells and propane fuel; The development and demonstration of a proof-of-concept electro-mechanical propane fuel interface that provides a user friendly capability for managing propane fuel; The deployment and use of the fuel cell portable generators to power media production equipment over the course of several months at multiple NASCAR automobile racing events; The deployment and use of the fuel cell portable generators at scheduled events by first responders (police, fire) of the City of Folsom California; and Capturing data with regard to the systems’ ability to meet Department of Energy (DOE) Technical Targets and evaluating the ease of use and potential barriers to further adoption of the systems.

  20. Micellar and bicontinuous microemulsions formed in both near-critical and supercritical propane with didodecyldimethylammonium bromide and water

    SciTech Connect

    Tingey, J.M.; Fulton, J.L.; Matson, D.W.; Smith, R.D. )

    1991-02-07

    Bicontinuous microemulsions readily form in liquid propane at 25C and pressures from 10 to 500 bar with the addition of the surfactant didodecyldimethylammonium bromide (DDAB) and water. The phase behavior of this system is much like that of the normal liquid alkanes, C{sub 6}-C{sub 10}, but with unusual and dramatic effects due to pressure. When the pressure of the solution is increased from 80 to 400 bar with the addition of pure propane, the conductivity is observed to decrease by 3 orders of magnitude. In accord with existing structural models of conventional liquid microemulsion systems, these changes in the conductivity are ascribed to changes in the interface region as the propane solvent penetrates and solvates the hydrocarbon tails of the surfactant. The corresponding supercritical propane system studied at 100C is best explained as a micellar microemulsion with an oil-continuous phase in which the structure is also affected by the amount of water or the pressure of the system.

  1. Catalytic coatings on steel for low-temperature propane prereforming to solid oxide fuel cell (SOFC) application.

    PubMed

    Alphonse, Pierre; Ansart, Florence

    2009-08-15

    Catalyst layers (4-20 microm) of rhodium (1 wt%) supported on alumina, titania, and ceria-zirconia (Ce(0.5)Zr(0.5)O(2)) were coated on stainless-steel corrugated sheets by dip-coating in very stable colloidal dispersions of nanoparticles in water. Catalytic performances were studied for low-temperature (< or = 500 degrees C) steam reforming of propane at a steam to carbon ratio equal to 3 and low contact time (approximately 0.01 s). The best catalytic activity for propane steam reforming was observed for titania and ceria-zirconia supports for which propane conversion started at 250 degrees C and was more than three times better at 350 degrees C than conversion measured on alumina catalyst. For all catalysts a first-order kinetics was found with respect to propane at 500 degrees C. Addition of PEG 2000 in titania and ceria-zirconia sols eliminated the film cracking observed without additive with these supports. Besides, the PEG addition strongly expanded the porosity of the layers, so that full catalytic efficiency was maintained when the thickness of the ceria-zirconia and titania films was increased.

  2. Refolding additive, dimethylbenzylammonium propane sulfonate (NDSB- 256), accelerates gly-pro cis-trans isomerization.

    PubMed

    Wang, Haimei; Hosoda, Kazuo; Terawaki, Shin-Ichi; Wakamatsu, Kaori

    2014-01-01

    Proline cis-trans isomerization plays a key role in the rate-determining steps of protein folding, and many different peptide-proline cis-trans isomerases (PPIases) catalyze this reaction. The acceleration of isomerization would be beneficial for in vitro refolding of protein preparations for industrial and research purposes. So we analyzed whether low-molecular-weight compounds that have been reported to enhance protein refolding have the activity to accelerate the isomerization. To evaluate the effects of chemicals on the isomerization rate, we set up a new NMR (EXSY) method that is invulnerable to their inhibitory activity, if any, and to their large NMR signals. With this method, we found that dimethylbenzylammonium propane sulfonate (NDSB-256) increase the isomerization rate in a concentration-dependent manner for the first time. Acceleration by imidazole (suggested but not experimentally confirmed) was also demonstrated. Arginine, a most popular refolding additive, did not show any significant effects on the isomerization reaction as expected.

  3. Epitaxial growth of SiC from Al?Si solution reacting with propane gas

    NASA Astrophysics Data System (ADS)

    Tanaka, A.; Ataka, T.; Ohkura, E.; Katsuno, H.

    2004-09-01

    A new low-temperature LPE technique has been developed. SiC layers were grown on a Si-face of 6H-SiC substrates from Al-Si solution reacting with propane gas at 1000°C. Morphology of the as-grown surface of the layers changed depending on whether the solution was saturated with Si or not. Based on the observation, two growth modes, corresponding to segregation dominance or surface diffusion dominance, were discussed. The use of off-axis substrates made the growth rate increase remarkably. The thickness reached about 10-μm after 8-h growth. PL measurements revealed that the polytype of the grown layers belongs to a hexagonal group.

  4. 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.

  5. 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.

  6. 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.

  7. 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).

  8. Argon/propane ionization-chamber dosimetry for mixed x-ray/neutron fields.

    PubMed

    Schulz, R J

    1978-01-01

    The photoneutrons produced by high-energy x-ray machines can diffuse through the mazes usually employed at the treatment-room entrance and readily penetrate the lead-lined doors used for x-ray shielding. The measurement of these neutrons in the presence of x-rays and the determination of dose equivalent poses a problem for which there is currently no standard method of solution. In order to separate x-ray dose from neutron dose, the author employed an ionization chamber alternately filled with argon or propane. The response characteristics of this chamber to x-ray and neutrons are described. Quality factors were determined from a calculated neutron spectrum. As a result of these measurements, a 10-in. polyethylene door was added to the entranceway of a 25-MV linear accelerator.

  9. Lean Combustion Limits of a Confined Premixed-Prevaporized Propane Jet

    NASA Technical Reports Server (NTRS)

    Huck, K. L.; Marek, C. J.

    1978-01-01

    Lean blowout limits were reported for a premixed prevaporized propane jet issuing into a cylindrical combustor. A single hole in a flat plate was used as a flameholder. Flameholders with various hole diameters were used. Jet velocities were varied from 3 to 290 meters per second. The combustor cross sectional area was changed by using different quartz liners of 12.7 and 22.2 millimeters diameters. As a result the combustor Reynolds number varied from 1000 to 9000. Stability was achieved at laminar as well as turbulent conditions. Three zones of flame stability were observed. The blowout equivalence ratio varied with step size and the combustor and jet Reynolds numbers. The combustor inlet mixture temperature was 395 K, and the combustor pressure was 1 atmosphere.

  10. Lean-limit extinction of propane/air mixtures in the stagnation-point flow

    NASA Technical Reports Server (NTRS)

    Law, C. K.; Ishizuka, S.; Mizomoto, M.

    1981-01-01

    The extinction limits of lean propane/air mixtures in the stagnation-point flow of a flat surface were mapped as functions of the surface temperature and the mixture concentration, velocity, and temperature. The maximum flame temperatures and the flame locations were also measured. The results show that the extinction limits are extremely insensitive to the nature of the surface, which can be heated to 1000 C. On the other hand preheating the gas mixture increases the flame temperature by an almost equal amount and therefore significantly extends the extinction limits. It is also found that at extinction the maximum flame temperatures and the flame locations, which when scaled with the velocity gradient, assume almost constant values independent of the other system variables investigated.

  11. 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.

  12. 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).

  13. [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.

  14. 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.

  15. Comparison of Microcosm Tests and a Field Demonstration of Cometabolic Air Sparging With Propane for the Bioremediation of Trichloroethylene and cis-Dichloroethylene

    NASA Astrophysics Data System (ADS)

    Timmins, B.; Dolan, M. E.; Tovannabootr, A.; Azizian, M.; Semprini, L.; Magar, V. S.; Leeson, A.

    2001-12-01

    Cometabolic air sparging (CAS) is an innovative form of conventional air sparging, and is designed to degrade or remove chlorinated aliphatic hydrocarbon compounds (CAHs) in groundwater and to potentially treat these contaminants in the vadose zone. A CAS demonstration was conducted at McClellan AFB, California, for removal of chloroethenes (TCE, cis-DCE) from groundwater using propane as the cometabolic substrate. In support of this field demonstration both groundwater and vadose zone microcosm studies were performed. The microcosms were created with groundwater and aquifer materials from the demonstration site. Concentrations of compounds in the microcosms were created to mimic conditions where the demonstration was performed. The microcosms were used to test the potential of the propane-utilizers to transform the CAHs of interest, and determine their nutrient requirements while transforming these compounds. Results from the first season of field-testing showed propane-utilizers could be effectively stimulated in the saturated zone with repeated intermediate sparging of propane and air. The lag time for effective propane utilization to be observed in the field was about 30 to 40 days, while in laboratory microcosms the lag period was about 12 days. Consistent with the field tests the groundwater microcosms showed cis-DCE was more rapidly transformed than TCE. Microcosm tests also indicated that propane inhibited the transformation of cis-DCE and TCE, and as observed in the field, most of the transformation of these compounds occurred after propane was reduced to low concentrations. In the field demonstration propane utilization rates and rates of CAH removal slowed after three to four months of repeated propane additions, which coincided with the depletion of nitrogen (as nitrate) in the treatment zone. Similar results were obtained with repeated additions of propane to the microcosms. In the field test ammonia was added to the propane/air mixture to provide a

  16. In situ (1)H and (13)C MAS NMR kinetic study of the mechanism of H/D exchange for propane on zeolite H-ZSM-5.

    PubMed

    Arzumanov, Sergei S; Reshetnikov, Sergei I; Stepanov, Alexander G; Parmon, Valentin N; Freude, Dieter

    2005-10-27

    The kinetics of hydrogen (H/D) exchange between Brønsted acid sites of zeolite H-ZSM-5 and variously deuterated propanes (propane-d(8), propane-1,1,1,3,3,3-d(6), propane-2,2-d(2)) have been monitored in situ by (1)H MAS NMR spectroscopy within the temperature range of 503-556 K. The contribution of intramolecular hydrogen transfer to the H/D exchange in the adsorbed propane was estimated by monitoring the kinetics of (13)C-labeled carbon scrambling in propane-2-(13)C in situ with (13)C MAS NMR at 543-573 K. Possible mechanisms of the exchange have been verified on the basis of the analysis of the variation of protium concentration in both the methyl and the methylene groups of propane in dependence of the reaction time. The main route of the exchange consists of a direct exchange of the acidic OH groups of the zeolite with either the methyl groups or the methylene group presumably with a pentacoordinated carbonium ion intermediate. The assumption that the intramolecular H scrambling between the methyl groups and the methylene group of propane via carbenium-ion-type intermediates is the fastest process among the other possible routes does not account for the experimental kinetics of H/D exchange for propanes with different initial contents and locations of deuterium in a propane molecule. The rate constant (k(3)) for intramolecular H/D exchange between the methyl and the methylene groups is 4-5 times lower compared to those of the direct exchange of both the methyl (k(1)) and the methylene (k(2)) groups with Brønsted acid sites of the zeolite, the k(1) being ca. 1.5 times higher than k(2). At lower temperature (473 K), the exchange is slower, and the expected difference between k(1) and k(2) is more essential, k(1) = 3k(2). This accounts for earlier observed regioselectivity of the exchange for propane on H-ZSM-5 at 473 K. Faster direct exchange with the methyl groups compared to that with the methylene groups was attributed to a possible, more spatial

  17. 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.

  18. 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.

  19. Intermolecular hydrogen transfer between guest species in small and large cages of methane + propane mixed gas hydrates.

    PubMed

    Sugahara, Takeshi; Kobayashi, Yusuke; Tani, Atsushi; Inoue, Tatsuya; Ohgaki, Kazunari

    2012-03-15

    To investigate the molecular interaction between guest species inside of the small and large cages of methane + propane mixed gas hydrates, thermal stabilities of the methyl radical (possibly induced in small cages) and the normal propyl and isopropyl radicals (induced in large cages) were investigated by means of electron spin resonance measurements. The increase of the total amount of the normal propyl and isopropyl radicals reveals that the methyl radical in the small cage withdraws one hydrogen atom from the propane molecule enclathrated in the adjacent large cage of the structure-II hydrate. A guest species in a hydrate cage has the ability to interact closely with the other one in the adjacent cages. The clathrate hydrate may be utilized as a possible nanoscale reaction field.

  20. 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.

  1. 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.

  2. The Effects of Supercritical Propane on the Alkylation of Toluene with Ethylene over USY and Sulfated Zirconia Catalysts

    SciTech Connect

    Ginosar, Daniel Michael; Burch, Kyle Coates; Thompson, David Neal

    2002-11-01

    The alkylation of toluene with ethylene over microporous USY zeolite and mesoporous sulfated zirconia (S/ZrO2) catalysts was explored at liquid, near-critical liquid, and supercritical conditions using propane as the supercritical cosolvent. Liquid, near-critical liquid, and supercritical conditions were examined for their effects on product selectivity and catalyst activity maintenance. The S/ZrO2 catalyst demonstrated alkylation activity almost exclusively, whereas the USY catalyst demonstrated both alkylation and cracking/disproportionation activities. Near-critical and supercritical reaction conditions improved product selectivity with the USY catalyst through the suppression of disproportionation reactions and enhanced ortho- and para-ethyltoluene selectivity. However, the addition of the supercritical cosolvent resulted in increased deactivation for both the S/ZrO2 and USY catalysts, with deactivation increasing with propane mole fraction.

  3. Three-phase equilibria in the binary system ethylene + eicosane and the ternary system propane + ethylene + eicosane

    SciTech Connect

    Gregorowicz, J.; Loos, T.W. de; Arons, J. . Lab. of Applied Thermodyanamics and Phase Equilibria)

    1993-07-01

    The solid eicosane-liquid-vapor (SLV) phase behavior in the binary system ethylene + eicosane was investigated. It was found that the SLV curve ends at a critical end point where liquid and vapor are critical in the presence of pure solid eicosane. In this binary system liquid-liquid-vapor (LLV) equilibria are metastable with respect to solid formation. Addition of propane to mixtures of ethylene and eicosane revealed stable LLV equlibria. P-T sections for seven ternary mixtures with different propane and eicosane concentrations were determined according to the synthetic method. On the basis of the results obtained, a rough estimate of the ternary tricritical point and the metastable binary LLV curve is performed.

  4. 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

  5. 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.

  6. The SPASIBA force field of aldehydes. Part I: Structure and vibrational wavenumbers of methanal, ethanal and propanal

    NASA Astrophysics Data System (ADS)

    Zanoun, A.; Durier, V.; Belaidi, A.; Vergoten, G.

    1999-02-01

    The SPASIBA vibrational spectroscopic force field has been developed for the aldehyde function. The tested molecules are methanal, ethanal, propanal and some of their deuterated analogues. The parameters have been obtained by fitting calculated and observed vibrational wavenumbers. A set of 34 independant force constants has been found to correctly describe the structure and vibrational spectra. The average error between predicted and observed vibrational wavenumber is 16 cm -1.

  7. 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).

  8. Analysis of high resolution laboratory propane spectra (nu21, 922 cm-1) and the interpretation of Titan's infrared spectra

    NASA Astrophysics Data System (ADS)

    Klavans, Valerie; Nixon, Conor; Hewagama, Tilak; Jennings, Donald

    2010-04-01

    Titan has an extremely thick atmosphere dominated by nitrogen, but includes a range of trace species such as hydrocarbons and nitriles. One such hydrocarbon is propane (C3H8). Propane has 21 active IR bands covering broad regions of the mid-infrared. Therefore, its ubiquitous signature may potentially mask weaker signatures of other undetected species with important roles in Titan's chemistry. Cassini's Composite Infrared Spectrometer (CIRS) observations of Titan's atmosphere hint at the presence of such molecules. Unfortunately, C3H8 line atlases for the vibration bands nu8, nu21, nu20, and nu7 (869, 922, 1054, and 1157 cm-1, respectively) are not currently available for subtracting the C3H8 signal to reveal, or constrain, the signature of underlying chemical species. Using FTS spectra previously obtained by Jennings et al. (unpublished) as the source and automated analysis utilities developed for this application, we are compiling an atlas of spectroscopic parameters for propane that characterize the roto-vibrational transitions in the above bands. In this paper, we will discuss our efforts for the spectral region near the nu21 band, present initial results for spectroscopic parameters including absolute line intensities and transition frequencies, and show how these optical constants will be used in searching for other trace chemical species in Titan's atmosphere.

  9. 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.

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

    NASA Astrophysics Data System (ADS)

    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 (ɛE), excess inverse relaxation time (1/τ)E, Bruggeman parameter (fB) have also been determined for propan-1-ol and propionaldehyde and the results were correlated.

  11. 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.

  12. Comparative study on hydrogenation of propanal on Ni(111) and Cu(111) from density functional theory

    NASA Astrophysics Data System (ADS)

    An, Wei; Men, Yong; Wang, Jinguo

    2017-02-01

    Using propanal as a probe molecule, we have comparatively investigated hydrogenation of carbonyl (Cdbnd O) in short carbon-chain aldehyde on Ni(111) and Cu(111) by means of periodic density functional theory. Our focus is in particular on the differentiation of reaction route in sequential hydrogenation on Ni(111) and Cu(111) following Langmuir-Hinshelwood mechanism. Strong binding with alkoxy intermediates has great impact on altering reaction pathways on the two surfaces, where hydroxyl route via 1-hydroxyl propyl intermediate is dominant on Ni(111), but alkoxy route via propoxyl intermediate is more likely on Cu(111) due to a higher activiation barrier of initial hydrogenation in hydroxyl route. In comparison, hydrogenation of carbonyl on Ni(111) is kinetically much faster than that on Cu(111) as a result of much lower activation barrier in rate-determining step (i.e., 13.2 vs 26.8 kcal/mol) of most favorable reaction pathways. Furthermore, the discrepancy in calculated and experimental barriers can be well explained by using the concept of H-tunneling effect on bond forming with H atoms during sequential hydrogenation. The different features of electronic structure exhibited by the two metal surfaces provide insight into their catalytic behaviors.

  13. 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.

  14. 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.

  15. Cell Transfection with a β-Cyclodextrin-PEI-Propane-1,2,3-Triol Nanopolymer

    PubMed Central

    Lai, Wing-Fu; Jung, Han-Sung

    2014-01-01

    Successful gene therapy necessitates safe and efficient gene transfer. This article describes the use of a cationic polymer, which was synthesized by cross-linking low molecular weight branched poly(ethylenimine) (PEI) with both β-cyclodextrin and propane-1,2,3-triol, for efficient and safe non-viral gene delivery. Experimentation demonstrated that the polymer had a pH buffering capacity and DNA condensing ability comparable to those of PEI 25 kDa. In B16-F0 cells, the polymer increased the transfection efficiency of naked DNA by 700-fold and yielded better transfection efficiencies than Fugene HD (threefold higher) and PEI 25 kDa (fivefold higher). The high transfection efficiency of the polymer was not affected by the presence of serum during transfection. In addition to B16-F0 cells, the polymer enabled efficient transfection of HepG2 and U87 cells with low cytotoxicity. Our results indicated that our polymer is a safe and efficient transfection reagent that warrants further development for in vitro, in vivo and clinical applications. PMID:24956480

  16. 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.

  17. 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.

  18. Reactivity of alkanes on zeolites: a computational study of propane conversion reactions.

    PubMed

    Zheng, Xiaobo; Blowers, Paul

    2005-12-01

    In this work, quantum chemical methods were used to study propane conversion reactions on zeolites; these reactions included protolytic cracking, primary hydrogen exchange, secondary hydrogen exchange, and dehydrogenation reactions. The reactants, products, and transition-state structures were optimized at the B3LYP/6-31G level and the energies were calculated with CBS-QB3, a complete basis set composite energy method. The computed activation barriers were 62.1 and 62.6 kcal/mol for protolytic cracking through two different transition states, 30.4 kcal/mol for primary hydrogen exchange, 29.8 kcal/mol for secondary hydrogen exchange, and 76.7 kcal/mol for dehydrogenation reactions. The effects of basis set for the geometry optimization and zeolite acidity on the reaction barriers were also investigated. Adding extra polarization and diffuse functions for the geometry optimization did not affect the activation barriers obtained with the composite energy method. The largest difference in calculated activation barriers is within 1 kcal/mol. Reaction activation barriers do change as zeolite acidity changes, however. Linear relationships were found between activation barriers and zeolite deprotonation energies. Analytical expressions for each reaction were proposed so that accurate activation barriers can be obtained when using different zeolites as catalysts, as long as the deprotonation energies are first acquired.

  19. Autoignited laminar lifted flames of propane in coflow jets with tribrachial edge and mild combustion

    SciTech Connect

    Choi, B.C.; Kim, K.N.; Chung, S.H.

    2009-02-15

    Characteristics of laminar lifted flames have been investigated experimentally by varying the initial temperature of coflow air over 800 K in the non-premixed jets of propane diluted with nitrogen. The result showed that the lifted flame with the initial temperature below 860 K maintained the typical tribrachial structure at the leading edge, which was stabilized by the balance mechanism between the propagation speed of tribrachial flame and the local flow velocity. For the temperature above 860 K, the flame was autoignited without having any external ignition source. The autoignited lifted flames were categorized in two regimes. In the case with tribrachial edge structure, the liftoff height increased nonlinearly with jet velocity. Especially, for the critical condition near blowout, the lifted flame showed a repetitive behavior of extinction and reignition. In such a case, the autoignition was controlled by the non-adiabatic ignition delay time considering heat loss such that the autoignition height was correlated with the square of the adiabatic ignition delay time. In the case with mild combustion regime at excessively diluted conditions, the liftoff height increased linearly with jet velocity and was correlated well with the square of the adiabatic ignition delay time. (author)

  20. Raman spectra of methane, ethylene, ethane, dimethyl ether, formaldehyde and propane for combustion applications

    NASA Astrophysics Data System (ADS)

    Magnotti, G.; KC, U.; Varghese, P. L.; Barlow, R. S.

    2015-09-01

    Spontaneous Raman scattering measurements of temperature and major species concentration in hydrocarbon-air flames require detailed knowledge of the Raman spectra of the hydrocarbons present when fuels more complex than methane are used. Although hydrocarbon spectra have been extensively studied at room temperature, there are no data available at higher temperatures. Quantum mechanical calculations, when available are not sufficiently accurate for combustion applications. This work presents experimental measurements of spontaneous Stokes-Raman scattering spectra of methane, ethylene, ethane, dimethyl ether, formaldehyde and propane in the temperature range 300-860 K. Raman spectra from heated hydrocarbons jets have been collected with a higher resolution than is generally employed for Raman measurements in combustion applications. A set of synthetic spectra have been generated for each hydrocarbon, providing the basis for extrapolation to higher temperatures. The spectra provided here will enable simultaneous measurements of multiple hydrocarbons in flames. This capability will greatly extend the range of applicability of Raman measurements in combustion applications. In addition, the experimental spectra provide a validation dataset for quantum mechanical models.

  1. 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.

  2. 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.

  3. Comparison between a propane-air combustion front and a helium-air simulated combustion front

    SciTech Connect

    Barraclough, S.

    1983-12-01

    Turbulent combustion experiments were performed in a right cylindrical combustion bomb using a premixed propane-air gaseous fuel. The initial conditions inside the combustion chamber were three psig and room temperature. Prior to spark firing, the turbulence intensity inside the combustion chamber was measured and could be varied over a ten fold range. The effect of initial turbulence intensity on turbulent flame propagation was investigated. Two regimes of turbulent combustion were identified, which is in agreement with a previous investigator's results. One of them, a ''transition regime'' occurs when the turbulence intensity is approximately twice the laminar flame speed. Within the transition regime, the turbulent burning speed is linearly proportional to initial turbulence intensity and independent of laminar flame speed and turbulence length scale. A high pressure helium front was injected into the combustion chamber to simulate the combustion front. Since the helium front is isothermal, hot-wire anemometry can be used to quantify the change in turbulence intensity ahead of the propagating front. The helium front was found to have different characteristics than the combustion front.

  4. 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.

  5. 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

  6. Effect of Oxygen Enrichment in Propane Laminar Diffusion Flames under Microgravity and Earth Gravity Conditions

    NASA Astrophysics Data System (ADS)

    Bhatia, Pramod; Singh, Ravinder

    2017-01-01

    Diffusion flames are the most common type of flame which we see in our daily life such as candle flame and match-stick flame. Also, they are the most used flames in practical combustion system such as industrial burner (coal fired, gas fired or oil fired), diesel engines, gas turbines, and solid fuel rockets. In the present study, steady-state global chemistry calculations for 24 different flames were performed using an axisymmetric computational fluid dynamics code (UNICORN). Computation involved simulations of inverse and normal diffusion flames of propane in earth and microgravity condition with varying oxidizer compositions (21, 30, 50, 100 % O2, by mole, in N2). 2 cases were compared with the experimental result for validating the computational model. These flames were stabilized on a 5.5 mm diameter burner with 10 mm of burner length. The effect of oxygen enrichment and variation in gravity (earth gravity and microgravity) on shape and size of diffusion flames, flame temperature, flame velocity have been studied from the computational result obtained. Oxygen enrichment resulted in significant increase in flame temperature for both types of diffusion flames. Also, oxygen enrichment and gravity variation have significant effect on the flame configuration of normal diffusion flames in comparison with inverse diffusion flames. Microgravity normal diffusion flames are spherical in shape and much wider in comparison to earth gravity normal diffusion flames. In inverse diffusion flames, microgravity flames were wider than earth gravity flames. However, microgravity inverse flames were not spherical in shape.

  7. 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

  8. 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.; ...

    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

  9. 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.

  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. 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.

  12. Ionization-cluster distributions of alpha-particles in nanometric volumes of propane: measurement and calculation.

    PubMed

    De Nardo, L; Colautti, P; Conte, V; Baek, W Y; Grosswendt, B; Tornielli, G

    2002-12-01

    The probability of the formation of ionization clusters by primary alpha-particles at 5.4 MeV in nanometric volumes of propane was studied experimentally and by Monte Carlo simulation, as a function of the distance between the center line of the particle beam and the center of the target volume. The volumes were of cylindrical shape, 3.7 mm in diameter and height. As the investigations were performed at gas pressures of 300 Pa and 350 Pa, the dimensions of the target volume were equivalent to 20.6 nm or 24.0 nm in a material of density 1.0 g/cm(3). The dependence of ionization-cluster formation on distance was studied up to values equivalent to about 70 nm. To validate the measurements, a Monte Carlo model was developed which allows the experimental arrangement and the interactions of alpha-particles and secondary electrons in the counter gas to be properly simulated. This model is supplemented by a mathematical formulation of cluster size formation in nanometric targets. The main results of our study are (i) that the mean ionization-cluster size in the delta-electron cloud of an alpha-particle track segment, decreases as a function of the distance between the center line of the alpha-particle beam and the center of the sensitive target volume to the power of 2.6, and (ii) that the mean cluster size in critical volumes and the relative variance of mean cluster size due to delta-electrons are invariant at distances greater than about 20 nm. We could imagine that the ionization-cluster formation in nanometric volumes might in future provide the physical basis for a redefinition of radiation quality.

  13. 75 FR 29435 - Diquat Dibromide; Pesticide Tolerances

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-05-26

    ... the following activities: Crop production (NAICS code 111). Animal production (NAICS code 112). Food... evidence of increased quantitative or qualitative susceptibility of in utero animals or of offspring in...) occurred at a higher dose than the dose causing effects in maternal animals (decreased body-weight...

  14. THE CRYSTAL STRUCTURE OF DIPHENYLTELLURIUM DIBROMIDE,

    DTIC Science & Technology

    TELLURIUM COMPOUNDS, *ORGANOMETALLIC COMPOUNDS, CRYSTAL STRUCTURE , CRYSTAL STRUCTURE , BROMIDES, SYMMETRY(CRYSTALLOGRAPHY), X RAY DIFFRACTION, FOURIER ANALYSIS, LEAST SQUARES METHOD, MOLECULAR STRUCTURE, CHEMICAL BONDS.

  15. NMR Spin-Lock Induced Crossing (SLIC) dispersion and long-lived spin states of gaseous propane at low magnetic field (0.05T).

    PubMed

    Barskiy, Danila A; Salnikov, Oleg G; Romanov, Alexey S; Feldman, Matthew A; Coffey, Aaron M; Kovtunov, Kirill V; Koptyug, Igor V; Chekmenev, Eduard Y

    2017-03-01

    When parahydrogen reacts with propylene in low magnetic fields (e.g., 0.05T), the reaction product propane develops an overpopulation of pseudo-singlet nuclear spin states. We studied how the Spin-Lock Induced Crossing (SLIC) technique can be used to convert these pseudo-singlet spin states of hyperpolarized gaseous propane into observable magnetization and to detect (1)H NMR signal directly at 0.05T. The theoretical simulation and experimental study of the NMR signal dependence on B1 power (SLIC amplitude) exhibits a well-resolved dispersion, which is induced by the spin-spin couplings in the eight-proton spin system of propane. We also measured the exponential decay time constants (TLLSS or TS) of these pseudo-singlet long-lived spin states (LLSS) by varying the time between hyperpolarized propane production and SLIC detection. We have found that, on average, TS is approximately 3 times longer than the corresponding T1 value under the same conditions in the range of pressures studied (up to 7.6atm). Moreover, TS may exceed 13s at pressures above 7atm in the gas phase. These results are in agreement with the previous reports, and they corroborate a great potential of long-lived hyperpolarized propane as an inhalable gaseous contrast agent for lung imaging and as a molecular tracer to study porous media using low-field NMR and MRI.

  16. ED-XAS Data Reveal In-situ Time-Resolved Adsorbate Coverage on Supported Molybdenum Oxide Catalysts during Propane Dehydrogenation

    NASA Astrophysics Data System (ADS)

    Ramaker, David; Gatewood, Daniel; Beale, Andrew M.; Weckhuysen, Bert M.

    2007-02-01

    Energy-Dispersive X-ray Absorption Spectroscopy (ED-XAS) data combined with UV/Vis, Raman, and mass spectrometry data on alumina- and silica-supported molybdenum oxide catalysts under propane dehydrogenation conditions have been previously reported. A novel Δμ adsorbate isolation technique was applied here to the time-resolved (0.1 min) Mo K-edge ED-XAS data by taking the difference of absorption, μ, at t>1 against the initial time, t=0. Further, full multiple scattering calculations using the FEFF 8.0 code are performed to interpret the Δμ signatures. The resulting difference spectra and interpretation provide real time propane coverage and O depletion at the MoOn surface. The propane coverage is seen to correlate with the propene and/or coke production, with the maximum coke formation occurring when the propane coverage is the largest. Combined, these data give unprecedented insight into the complicated dynamics for propane dehydrogenation.

  17. NMR Spin-Lock Induced Crossing (SLIC) dispersion and long-lived spin states of gaseous propane at low magnetic field (0.05 T)

    NASA Astrophysics Data System (ADS)

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

    2017-03-01

    When parahydrogen reacts with propylene in low magnetic fields (e.g., 0.05 T), the reaction product propane develops an overpopulation of pseudo-singlet nuclear spin states. We studied how the Spin-Lock Induced Crossing (SLIC) technique can be used to convert these pseudo-singlet spin states of hyperpolarized gaseous propane into observable magnetization and to detect 1H NMR signal directly at 0.05 T. The theoretical simulation and experimental study of the NMR signal dependence on B1 power (SLIC amplitude) exhibits a well-resolved dispersion, which is induced by the spin-spin couplings in the eight-proton spin system of propane. We also measured the exponential decay time constants (TLLSS or TS) of these pseudo-singlet long-lived spin states (LLSS) by varying the time between hyperpolarized propane production and SLIC detection. We have found that, on average, TS is approximately 3 times longer than the corresponding T1 value under the same conditions in the range of pressures studied (up to 7.6 atm). Moreover, TS may exceed 13 s at pressures above 7 atm in the gas phase. These results are in agreement with the previous reports, and they corroborate a great potential of long-lived hyperpolarized propane as an inhalable gaseous contrast agent for lung imaging and as a molecular tracer to study porous media using low-field NMR and MRI.

  18. Catalytic properties of the VO x /Ce0.46Zr0.54O2 oxide system in the oxidative dehydrogenation of propane

    NASA Astrophysics Data System (ADS)

    Turakulova, A. O.; Kharlanov, A. N.; Levanov, A. V.; Isaikina, O. Ya.; Lunin, V. V.

    2017-01-01

    Ce0.46Zr0.54O2 solid solution prepared using a cellulose template was employed as a carrier for vanadium catalysts of the oxidative dehydrogenation of propane. The properties of VO x /Ce0.46Zr0.54O2 catalyst (5 wt % vanadium) are compared with the properties of the neat support. The carrier and catalyst are studied by means of BET, SEM, DTA, XRD, and Raman spectroscopy. It is shown that the CeVO4 phase responsible for the ODH process is formed upon interaction between vanadate ions and cerium ions on the surface of the solid solution. The catalytic properties of the catalyst and the support are studied in the propane oxidation reaction at temperatures of 450 and 500°C with pulse feeding of the reagent. It is found that the complete oxidation of propane occurs on the support with formation of CO2 and H2O. Three products (propene, CO2, and H2O) form in the presence of the vanadium catalyst. It is suggested that there are two types of catalytic centers on the catalyst's surface. It is concluded that the centers responsible for the complete oxidation of propane are concentrated mainly on the carrier, while the centers responsible for propane ODH are on the CeVO4.

  19. 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.

  20. ED-XAS Data Reveal In-situ Time-Resolved Adsorbate Coverage on Supported Molybdenum Oxide Catalysts during Propane Dehydrogenation

    SciTech Connect

    Ramaker, David; Gatewood, Daniel; Beale, Andrew M.; Weckhuysen, Bert M.

    2007-02-02

    Energy-Dispersive X-ray Absorption Spectroscopy (ED-XAS) data combined with UV/Vis, Raman, and mass spectrometry data on alumina- and silica-supported molybdenum oxide catalysts under propane dehydrogenation conditions have been previously reported. A novel {delta}{mu} adsorbate isolation technique was applied here to the time-resolved (0.1 min) Mo K-edge ED-XAS data by taking the difference of absorption, {mu}, at t>1 against the initial time, t=0. Further, full multiple scattering calculations using the FEFF 8.0 code are performed to interpret the {delta}{mu} signatures. The resulting difference spectra and interpretation provide real time propane coverage and O depletion at the MoOn surface. The propane coverage is seen to correlate with the propene and/or coke production, with the maximum coke formation occurring when the propane coverage is the largest. Combined, these data give unprecedented insight into the complicated dynamics for propane dehydrogenation.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. Crystal structure of 4-cyclo­hexyl-1-(propan-2-yl­idene)thio­semicarbazide

    PubMed Central

    Yamin, Bohari M; Rodis, Monica Lulo; Chee, Dayang N. B. A

    2014-01-01

    In the title compound, C10H19N3S, the cyclo­hexyl group adopts a chair conformation and adopts a position approximately syn to the thione S atom. The CN2S thio­urea moiety makes dihedral angle of 13.13 (10)° with the propan-2-yl­idene­amino group. An intra­molecular N—H⋯N hydrogen bond is noted. In the crystal, inversion dimers linked by pairs of N—H⋯S hydrogen bonds generate R 2 2(8) loops. PMID:25484699

  6. 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.

  7. N,N′-(Propane-1,3-di­yl)bis­(2-amino­benzamide)

    PubMed Central

    Sreedasyam, Jagannatha Swamy; Sunkari, Jyothi; Kundha, Shashank; Gundapaneni, Raghava Rao

    2013-01-01

    The title compound, C17H20N4O2, was prepared by the reaction between 1,3-di­amino­propane and isatoic anhydride in water. The carbonyl O atoms are involved in intra­molecular hydrogen bonding with the amine group and inter­molecular hydrogen bonding with an amide H atom of an adjacent mol­ecule. In the crystal, pairs of N—H⋯O hydrogen bonds link mol­ecules into inversion dimers and further N—H⋯O hydrogen bonds link the dimers into ladder-like chains along the a axis. PMID:23723834

  8. Oxidative dehydrogenation of propane over molybdenum supported on MgO-{gamma}-Al{sub 2}O{sub 3}

    SciTech Connect

    Abello, M.C.; Gomez, M.F.; Cadus, L.E.

    1996-07-01

    Catalysts of Mo supported on MgO-{gamma} Al{sub 2}O{sub 3} were studied in the oxidative dehydrogenation of propane to propene. The catalysts were active and very stable, but the dehydrogenation selectivity was reduced by the formation of carbon oxides. Characterizations by XRD, XPS, Raman spectroscopy, electron paramagnetic resonance, and BET surface measurements were performed. The catalyst preparation method led to large and stable magnesium molybdate particles on the surface. EPR and XPS measurements gave clues about the fact that the active centers for the reaction include Mo{sup 5+} ions. A scheme for the surface architecture is proposed.

  9. Synthese de noir de carbone a partir de propane, utilisant un plasma thermique

    NASA Astrophysics Data System (ADS)

    Lavoie, Martin

    Ce projet de maitrise consiste principalement en une etude experimentale de la production de noir de carbone a haute valeur a partir des fractions lourdes du gaz naturel et a l'aide d'une plasma genere par induction electromagnetique. Cette etude comprend les aspects thermodynamiques de la decomposition des hydrocarbures comme le propane et le n-butane, la filtration en continu du noir de carbone et sa caracterisation. L'etude experimentale est realisee en deux phases distinctes: une phase exploratoire et une phase de mise a l'echelle. A l'issue de la phase exploratoire, un parametre se demarque des autres, le mode d'injection du gaz de procede. En effet, la morphologie du noir de carbone est completement differente selon le type d'injection choisi. Une injection radiale donne un noir de carbone en forme de plaquettes ayant une surface specifique elevee alors qu'une injection axiale donne un noir de carbone en forme de spheres ayant une surface specifique plus faible. Le design du systeme pour la phase de mise a l'echelle a tenu compte majoritairement du parametre qu'est l'injection. De plus, la deuxieme phase a permis une instrumentation adequate, une augmentation de la puissance et du debit du gaz de procede et une frequence differente (3 MHz a 400 kHz). Les resultats de la deuxieme phase se sont averes differents du point de vue morphologique. Plusieurs types d'injection ont ete testes et le noir de carbone obtenu contenait tres peu de plaquettes. L'injection joue un role important pour le taux de decomposition et du noir de carbone produit. Un debit de noir de carbone allant jusqu'a 21 grammes par minute a ete obtenu pour une injection radiale. En fait, les injections radiales testees etaient concues pour perturber l'ecoulement laminaire du plasma et ainsi obtenir de meilleurs echanges que l'injection axiale. Par contre, a faible debit, l'injection axiale est favorisee. Certains aspects demeurent encore a etudier et a approfondir. D'abord, l'effet de la

  10. The solubility of ethane, propane, and carbon dioxide in aqueous solutions of sodium cumene sulfonate.

    PubMed

    King, A D

    2004-05-01

    Measurements have been made to determine the solubilities of ethane, C2H6, propane, C3H8, and carbon dioxide, CO2, in aqueous solutions of sodium cumene sulfonate (NaCS) at 25 degrees C. The solubilities measured for each gas satisfy Henry's law at all concentrations of NaCS. The solubilities of C2H6 and C3H8 exhibit quite similar behavior with respect to added NaCS. The solubilities of these two gases are very low in pure water and are found to be nearly independent of NaCS concentration over a concentration range of 0-0.4 mol NaCS/kg H2O. At intermediate concentrations of NaCS, the solubilities of C2H6 and C3H8 exhibit a gradual increase with added NaCS concentrations ranging from 0.4 to 2.0 mol NaCS/kg H2O. At NaCS concentrations greater than 2.0 mol NaCS/kg H2O, the solubilities of these two gases increase with added NaCS in an approximately linear manner, with the solubility of C3H8 increasing more rapidly than that for C2H6 (by a factor of approximately 2.5). CO2 is much more soluble in pure water than the hydrocarbon gases and exhibits markedly different behavior with respect to added NaCS. The solubility of CO2 decreases with added NaCS over a concentration range of 0-0.9 mol NaCS/kg H2O, passes through a minimum at a concentration of approximately 1.0 mol NaCS/kg H2O, and then increases with added NaCS at higher NaCS concentrations in a manner similar to that observed with C2H6 and C3H8. The trends in solubility observed for these three gases dissolved in aqueous solutions of NaCS resemble those found previously with aqueous solutions of ordinary surfactants. The solubility data measured for these three gases can be interpreted surprisingly well in terms of the mass-action model for micellization, in which salting-out effects due to monomer salt ions suppress gas solubility at low NaCS concentrations and gas solubilization by small micelles of NaCS acts to enhance gas solubility at the higher NaCS concentrations.

  11. 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

  12. Phytochemical profile, antioxidant and antimicrobial activity of extracts obtained from erva-mate (Ilex paraguariensis) fruit using compressed propane and supercritical CO2.

    PubMed

    Fernandes, Ciro E F; Scapinello, Jaqueline; Bohn, Aline; Boligon, Aline A; Athayde, Margareth L; Magro, Jacir Dall; Palliga, Marshall; Oliveira, J Vladimir; Tres, Marcus V

    2017-01-01

    Traditionally, Ilex paraguariensis leaves are consumed in tea form or as typical drinks like mate and terere, while the fruits are discarded processing and has no commercial value. The aim of this work to evaluate phytochemical properties, total phenolic compounds, antioxidant and antimicrobial activity of extracts of Ilex paraguariensis fruits obtained from supercritical CO2 and compressed propane extraction. The extraction with compressed propane yielded 2.72 wt%, whereas with supercritical CO2 1.51 wt% was obtained. The compound extracted in larger amount by the two extraction solvents was caffeine, 163.28 and 54.17 mg/g by supercritical CO2 and pressurized propane, respectively. The antioxidant activity was more pronounced for the supercritical CO2 extract, with no difference found in terms of minimum inhibitory concentration for Staphylococcus aureus for the two extracts and better results observed for Escherichia coli when using supercritical CO2.

  13. Flame Speeds of Methane-Air, Propane-Air, and Ethylene-Air Mixtures at Low Initial Temperatures

    NASA Technical Reports Server (NTRS)

    Dugger, Gordon L; Heimel, Sheldon

    1952-01-01

    Flame speeds were determined for methane-air, propane-air, and ethylene-air mixtures at -73 C and for methane-air mixtures at -132 C. The data extend the curves of maximum flame speed against initial mixture temperature previously established for the range from room temperature to 344 C. Empirical equations for maximum flame speed u(cm/ sec) as a function of initial mixture temperature T(sub O) were determined to be as follows: for methane, for T(sub O) from 141 to 615 K, u = 8 + 0.000160 T(sub O)(exp 2.11); for propane, for T(sub O) from 200 to 616 K, u = 10 + 0.000342 T(sub O)(exp 2.00); for ethylene, for T(sub O) from 200 to 617 K, u = 10 + 0.00259 T(sub O)(exp 1.74). Relative flame speeds at low initial temperatures were predicted within approximately 20 percent by either the thermal theory as presented by Semenov or by the diffusion theory of Tanford and Pease. The same order was found previously for high initial temperatures. The low-temperature data were also found to extend the linear correlations between maximum flame speed and calculated equilibrium active-radical concentrations, which were established by the previously reported high-temperature data.

  14. 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)

  15. 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.

  16. Propane dehydrogenation over PtSnMg/Cr2O3·Al2O3 catalysts: effect of the amount of Mg loading

    NASA Astrophysics Data System (ADS)

    Zhao, Peng; Guan, Yunfei; Wang, Yanmei; Guo, Xianzhi; Zhang, Jingya; Du, Zongjie; Zhang, Shoumin; Xie, Qinxing; Wu, Shihua

    2017-01-01

    A series of PtSnMg/Cr2O3·Al2O3 catalysts with different Mg loading amounts were synthetized by chemical co-deposition method and their propane dehydrogenation catalytic performances were tested. The catalysts were characterized by XRD, BET, TG, XPS. It was found that alkali metal Mg can reduce the surface acidity of carrier, improve the catalytic performance. Propane conversion peaks at Mg loading of 0.6wt.%, increasing Mg loading further than this saw a decline in conversion.

  17. Modeling of Future-Year Emissions Control Scenarios for the Lower Fraser Valley: Impacts of Natural Gas and Propane Vehicle Technologies.

    NASA Astrophysics Data System (ADS)

    Hedley, M.; Jiang, W.; McLaren, R.; Singleton, D. L.

    1998-10-01

    The MC2-CALGRID photochemical modeling system is used to simulate the impact of two fuel substitution scenarios on ozone levels for a future year in the Lower Fraser Valley of British Columbia, Canada. The relative impacts of selected natural gas and propane vehicle technologies are compared for the year 2005. The chosen natural gas technology imposes large reductions in nonmethane hydrocarbon emissions with moderate reductions in nitrogen oxide emissions, while the propane technology greatly lowers nitrogen oxide emissions with only small changes to nonmethane hydrocarbon emissions.The model results showed that replacing the entire light-duty gasoline car and truck fleet with the selected natural gas vehicle technology in the year 2005 in the Canadian portion of the Lower Fraser Valley yielded significant benefits in terms of reducing potential exposures to elevated ozone levels in suburban and rural areas. Sites closer to the urban core were less affected. For the propane fuel substitution, benefits were realized in terms of lowering ozone concentrations and ozone exposures in the rural areas. Within the urban and suburban areas, ozone exposures tended to increase. The exposures to peroxyacetyl nitrate were universally smaller in the alternative fuel scenarios.The nature of an effective control strategy for the Lower Fraser Valley is discussed, and it is suggested that in addition to the propane fuel substitution, moderate controls on the primary NOx sources in conjunction with moderate nonmethane hydrocarbon controls could be the preferred route to lower ozone exposures.

  18. Solubilities of eta-octadecane, phenanthrene, and eta-octadecane/phenanthrene mixtures in supercritical propane at 390 and 420. Kappa. and pressures to 60 bar

    SciTech Connect

    Dimitrelis, D.; Prausnitz, J.M. )

    1989-07-01

    Solubility data were obtained for n-octadecane, phenanthrene, and a nearly equimolar n-octadecane/phenanthrene mixture in supercritical propane. Solubilities were measured in a flow apparatus at 390 and 420 {Kappa} over the pressure range 35-60 bar. The experimental data is correlated using the perturbed-hard-chain equation of state. Agreement between experiment and correlation is good.

  19. 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

  20. Crystal structure of 1,3-bis-[(E)-4-meth-oxy-benzyl-idene-amino]-propan-2-ol.

    PubMed

    Rivera, Augusto; Miranda-Carvajal, Ingrid; Ríos-Motta, Jaime; Bolte, Michael

    2016-12-01

    The title Schiff base, C19H22N2O3, was synthesized via the condensation reaction of 1,3-di-amino-propan-2-ol with 4-meth-oxy-benzaldehyde using water as solvent. The mol-ecule exists in an E,E conformation with respect to the C=N imine bonds and the dihedral angle between the aromatic rings is 37.25 (15)°. In the crystal, O-H⋯N hydrogen bonds link the mol-ecules into infinite C(5) chains propagating along the a-axis direction. The packing of these chains is consolidated by C-H⋯O inter-actions and C-H⋯π short contacts, forming a three-dimensional network.

  1. An application of particle image velocimetry to the direct measurement of laminar burning velocity in homogeneous propane-air mixtures

    SciTech Connect

    Zhou, M.; Garner, C.P.

    1995-12-31

    An experiment is described for the direct measurement of laminar burning velocity within an optically accessed cylindrical combustion chamber. The laminar burning velocity was determined directly as the difference between the flame propagation speed and the unburned gas velocity immediately ahead of the flame front. Particle Image Velocimetry (PIV) has been applied to measure the unburned gas velocity field. The local flame speed and flame front position were determined from a pair of ionization probes in conjunction with the simultaneous PIV measurement. The laminar burning velocity of propane-air mixtures initially at atmospheric condition for different equivalence ratios ranging from 0.7--1.4 are presented. Close agreement with other measurements and predicted results was found.

  2. Occurrence of 3-chloro-propane-1,2-diol (3-MCPD) and related compounds in foods: a review.

    PubMed

    Hamlet, C G; Sadd, P A; Crews, C; Velísek, J; Baxter, D E

    2002-07-01

    A critical review of the occurrence of 3-chloro-propane-1,2-diol (3-MCPD) in foods not known to contain hydrolysed vegetable proteins is presented. The review covers the properties and chemistry of 3-MCPD and the current methods of analysis in foodstuffs. The results of UK surveys of 3-MCPD occurrence in both retail foods and commercial food ingredients are discussed with particular reference to cereal, meat and dairy products. The possible mechanisms for the formation and decay of 3-MCPD in foods are suggested. The review does not cover the detailed toxicology of 3-MCPD and its occurrence in hydrolysed vegetable proteins, which have been considered elsewhere, nor possible issues such as in-vivo formation.

  3. 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.

  4. 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.

  5. The promising chemical kinetics for the simulation of propane-air combustion with KIVA-II code

    NASA Technical Reports Server (NTRS)

    Ying, S. J.; Gorla, Rama S. R.; Kundu, Krishna P.

    1993-01-01

    The development of chemical kinetics for the simulation of propane-air combustion with the use of computer code KIVA-II since 1989 is summarized here. In order to let readers understand the general feature well, a brief description of the KIVA-II code, specially related with the chemical reactions is also given. Then the results of recent work with 20 reaction mechanism is presented. It is also compared with the 5 reaction mechanism. It may be expected that the numerical stability of the 20 reaction mechanism is better as compared to that of 5 reaction mechanism, but the CPU time of the CRAY computer is much longer. Details are presented in the paper.

  6. 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.

  7. Biodegradation of the gasoline oxygenates methyl tert-butyl ether, ethyl tert-butyl ether, and tert-amyl methyl ether by propane-oxidizing bacteria.

    PubMed

    Steffan, R J; McClay, K; Vainberg, S; Condee, C W; Zhang, D

    1997-11-01

    Several propane-oxidizing bacteria were tested for their ability to degrade gasoline oxygenates, including methyl tert-butyl ether (MTBE), ethyl tert-butyl ether (ETBE), and tert-amyl methyl ether (TAME). Both a laboratory strain and natural isolates were able to degrade each compound after growth on propane. When propane-grown strain ENV425 was incubated with 20 mg of uniformly labeled [14C]MTBE per liter, the strain converted > 60% of the added MTBE to 14CO2 in < 30 h. The initial oxidation of MTBE and ETBE resulted in the production of nearly stoichiometric amounts of tert-butyl alcohol (TBA), while the initial oxidation of TAME resulted in the production of tert-amyl alcohol. The methoxy methyl group of MTBE was oxidized to formaldehyde and ultimately to CO2. TBA was further oxidized to 2-methyl-2-hydroxy-1-propanol and then 2-hydroxy isobutyric acid; however, neither of these degradation products was an effective growth substrate for the propane oxidizers. Analysis of cell extracts of ENV425 and experiments with enzyme inhibitors implicated a soluble P-450 enzyme in the oxidation of both MTBE and TBA. MTBE was oxidized to TBA by camphor-grown Pseudomonas putida CAM, which produces the well-characterized P-450cam, but not by Rhodococcus rhodochrous 116, which produces two P-450 enzymes. Rates of MTBE degradation by propane-oxidizing strains ranged from 3.9 to 9.2 nmol/min/mg of cell protein at 28 degrees C, whereas TBA was oxidized at a rate of only 1.8 to 2.4 nmol/min/mg of cell protein at the same temperature.

  8. 3,3′-Dimethyl-1,1′-[(1,3-dihy­droxy­propane-2,2-di­yl)dimethyl­idene]diimidazolium bis­(hexa­fluoro­phosphate)

    PubMed Central

    Yuan, Ai-Lin; Wang, Chang-Sheng; Zhuang, Ling-Hua; Wang, Guo-Wei

    2010-01-01

    The title compound, C13H22N4O2 2+·2PF6 −, was prepared by the anion exchange of the dibromide ionic liquid with potassium hexa­fluoro­phosphate. The two imidazole rings are each planar (r.m.s. deviations = 0.0016 and 0.0060 Å) and make a dihedral angle of 45.3 (18)°. Intra­molecular O—H⋯F hydrogen bonds occur. Inter­molecular C—H⋯F, O—H⋯O and C—H⋯O hydrogen bonds stabilize the crystal structure. PMID:21589562

  9. 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

  10. 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

  11. 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

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

    PubMed

    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

    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 (1)H 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

  13. Ethane and propane emissions to the ocean and atmosphere from 550-1200 m seeps in the Gulf of Mexico

    NASA Astrophysics Data System (ADS)

    Solomon, E. A.; Kastner, M.; Leifer, I.

    2009-12-01

    Ethane (C2) and propane (C3) are highly reactive trace gases in the atmosphere that are important precursors of organic aerosols and contribute to ozone formation. The global flux of C2 and C3 based on tropospheric removal are 13-15.5 and 12 Tg/yr, respectively. Current emission inventories that include fossil fuel, biomass burning, biofuels, and waste treatment underestimate the global flux by ~2-5 Tg/yr. Previous studies have indicated that the open ocean contributes only marginally to global C2 and C3 budgets, but very few studies have investigated the natural emissions from marine seeps and their potential significance to global C2 and C3 fluxes. During a recent study at 3 seeps at depths from 550-600 m in the Gulf of Mexico (GOM), a submersible was used to collect water column samples immediately adjacent to 5 bubble plumes from the seafloor vents to the sea surface. Bottom water C2 and C3 concentrations above the seeps ranged from 24.3-2220 and 15.8-385 nM, respectively. Ethane and propane concentrations decrease by ~50-95% in the bottom 200 m. Mixed layer C2 and C3 concentrations were extremely high ranging from 6.3-147 and 4.0-110 nM. These mixed layer C2 and C3 concentrations are up to 1×105 and 5×105 times saturation with respect to atmospheric equilibrium. In general, C1/C2 and C2/C3 ratios decrease from the seafloor to the mixed layer with surface ratios lower than previously reported from marine seeps and the ocean, indicating preferential loss of light hydrocarbons from the plumes during water column transit. Preliminary results from numerical bubble models show the importance of bubble plume-driven upwelling flows, bubble size, and pressure effects for enhancing hydrocarbon transfer to the mixed layer. Based on contemporaneous wind speeds at the study sites, preliminary estimates for the diffusive C2 and C3 fluxes to the atmosphere above the seeps range from 10-400 μmol/m2d; 2-4 orders of magnitude greater than estimates from the open ocean

  14. 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

  15. A novel predictive model for formation enthalpies of Si and Ge hydrides with propane- and butane-like structures.

    PubMed

    Weng, C; Kouvetakis, J; Chizmeshya, A V G

    2011-04-15

    Butane- and propane-like silicon-germanium hydrides and chlorinated derivatives represent a new class of precursors for the fabrication of novel metastable materials at low-temperature regimes compatible with selective growth and commensurate with the emerging demand for the reduced thermal budgets of complementary metal oxide semiconductor integration. However, predictive simulation studies of the growth process and reaction mechanisms of these new compounds, needed to accelerate their deployment and fine-tune the unprecedented low-temperature and low-pressure synthesis protocols, require experimental thermodynamic data, which are currently unavailable. Furthermore, traditional quantum chemistry approaches lack the accuracy needed to treat large molecules containing third-row elements such as Ge. Accordingly, here we develop a method to accurately predict the formation enthalpy of these compounds using atom-wise corrections for Si, Ge, Cl, and H. For a test set of 15 well-known hydrides of Si and Ge and their chlorides, such as Si(3)H(8), Ge(2)H(6), SiGeH(6), SiHCl(3), and GeCl(4), our approach reduces the deviations between the experimental and predicted formation enthalpies obtained from complete basis set (CBS-QB3), G2, and B3LPY thermochemistry to levels of 1-3 kcal/mol, or a factor of ∼5 over the corresponding uncorrected values. We show that our approach yields results comparable or better than those obtained using homodesmic reactions while circumventing the need for thermochemical data of the associated reaction species. Optimized atom-wise corrections are then used to generate accurate enthalpies of formation for 39 pure Si-Ge hydrides and a selected group of 20 chlorinated analogs, of which some have recently been synthesized for the first time. Our corrected enthalpies perfectly reproduce the experimental stability trends of heavy butane-like compounds containing Ge. This is in contrast to the direct application of the CBS-QB3 method, which yields

  16. Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications.

    PubMed

    Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O K; Nunes, Giovana G; Soares, Jaísa F; Hughes, David L

    2017-02-01

    High-spin cobalt(II) complexes are considered useful building blocks for the synthesis of single-molecule magnets (SMM) because of their intrinsic magnetic anisotropy. In this work, three new cobalt(II) chloride adducts with labile ligands have been synthesized from anhydrous CoCl2, to be subsequently employed as starting materials for heterobimetallic compounds. The products were characterized by elemental, spectroscopic (EPR and FT-IR) and single-crystal X-ray diffraction analyses. trans-Tetrakis(acetonitrile-κN)bis(tetrahydrofuran-κO)cobalt(II) bis[(acetonitrile-κN)trichloridocobaltate(II)], [Co(C2H3N)4(C4H8O)2][CoCl3(C2H3N)]2, (1), comprises mononuclear ions and contains both acetonitrile and tetrahydrofuran (thf) ligands, The coordination polymer catena-poly[[tetrakis(propan-2-ol-κO)cobalt(II)]-μ-chlorido-[dichloridocobalt(II)]-μ-chlorido], [Co2Cl4(C3H8O)4], (2'), was prepared by direct reaction between anhydrous CoCl2 and propan-2-ol in an attempt to rationalize the formation of the CoCl2-alcohol adduct (2), probably CoCl2(HO(i)Pr)m. The binuclear complex di-μ-chlorido-1:2κ(4)Cl:Cl-dichlorido-2κ(2)Cl-tetrakis(tetrahydrofuran-1κO)dicobalt(II), [Co2Cl4(C4H8O)4], (3), was obtained from (2) after recrystallization from tetrahydrofuran. All three products present cobalt(II) centres in both octahedral and tetrahedral environments, the former usually less distorted than the latter, regardless of the nature of the neutral ligand. Product (2') is stabilized by an intramolecular hydrogen-bond network that appears to favour a trans arrangement of the chloride ligands in the octahedral moiety; this differs from the cis disposition found in (3). The expected easy displacement of the bound solvent molecules from the metal coordination sphere makes the three compounds good candidates for suitable starting materials in a number of synthetic applications.

  17. 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.

  18. 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.

  19. [Investigation of a gas chromatographic column system for the on-line analysis of gaseous components in de-propane tower of pyrolysis equipment].

    PubMed

    Cai, H; Liu, L J; Yan, J; Lu, X; Ye, F; Xu, G W

    2000-03-01

    Multi-dimensional gas chromatograph has become an important process analyzer due to the advantages of high resolution and fast speed. According to the production requirement, a gas chromatographic column switching system has been investigated for the on-line analysis of gaseous components from high-pressure and lower-pressure de-propane towers of pyrolysis equipment. By using two different injection times on three injectors, and fore-flush and back-flush techniques, C2-hydrocarbons, propane, propene, methylacetylene, propadiene and C4-hydrocarbons can be separated on 7 columns in 7 minutes. The practical application showed the developed column system is suitable for the on-line monitoring of the production process.

  20. The use of two-phase molecular dynamics simulations to determine the phase behavior and critical point of propane molecular models.

    PubMed

    Patel, Sonal; Wilding, W Vincent; Rowley, Richard L

    2011-01-14

    Molecular dynamics simulations were performed to determine two-phase configurations of model propane molecules below the critical point and in the near-critical, two-phase region. A postprocessor that uses a Monte Carlo method for determination of volumes attributable to each molecule was used to obtain density histograms of the particles from which the bulk coexisting equilibrium vapor and liquid densities were determined. This method of analyzing coexisting densities in a two-phase simulation is straightforward and can be easily implemented for complex, multisite models. Various degrees of internal flexibility in the propane models have little effect on the coexisting densities at temperatures 40 K or more below the critical point, but internal flexibility (angle bending and bond vibrations) does affect the saturated liquid densities in the near-critical region, changing the critical temperature by approximately 20 K. Shorter cutoffs were also found to affect the phase dome and the location of the critical point.

  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. 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.

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

    PubMed

    Chin, Chih-Hao; Lee, Shih-Huang

    2012-01-14

    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., C(2)H(4), C(2)H(2), 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.

  4. 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

  5. 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

  6. Effects of pressure, temperature, and hydrogen during graphene growth on SiC(0001) using propane-hydrogen chemical vapor deposition

    SciTech Connect

    Michon, A.; Vezian, S.; Roudon, E.; Lefebvre, D.; Portail, M.; Zielinski, M.; Chassagne, T.

    2013-05-28

    Graphene growth from a propane flow in a hydrogen environment (propane-hydrogen chemical vapor deposition (CVD)) on SiC differentiates from other growth methods in that it offers the possibility to obtain various graphene structures on the Si-face depending on growth conditions. The different structures include the (6{radical}3 Multiplication-Sign 6{radical}3)-R30 Degree-Sign reconstruction of the graphene/SiC interface, which is commonly observed on the Si-face, but also the rotational disorder which is generally observed on the C-face. In this work, growth mechanisms leading to the formation of the different structures are studied and discussed. For that purpose, we have grown graphene on SiC(0001) (Si-face) using propane-hydrogen CVD at various pressure and temperature and studied these samples extensively by means of low energy electron diffraction and atomic force microscopy. Pressure and temperature conditions leading to the formation of the different structures are identified and plotted in a pressure-temperature diagram. This diagram, together with other characterizations (X-ray photoemission and scanning tunneling microscopy), is the basis of further discussions on the carbon supply mechanisms and on the kinetics effects. The entire work underlines the important role of hydrogen during growth and its effects on the final graphene structure.

  7. Effects of heat loss, preferential diffusion, and flame stretch on flame-front instability and extinction of propane/air mixtures

    NASA Technical Reports Server (NTRS)

    Ishizuka, S.; Miyasaka, K.; Law, C. K.

    1982-01-01

    Flame configurations, flame-front cellular instability, and extinction of propane/air mixtures in the stagnation-point flow are experimentally studied for their dependence on downstream heat loss, preferential diffusion, and flame stretch. Boundaries for lean- and rich-limit extinction, stabilization of corrugated flames, and local extinction caused by sharp curvatures are mapped for varying propane concentrations and freestream velocities. Flame location and temperature at extinction are determined as functions of stagnation surface temperature, extent of preheating, propane concentration, and freestream velocity. Results substantiate the theoretical predictions of the different extinction modes for lean and rich flames in the absence of downstream heat loss, and yield useful insight on the extinction characteristics when finite downstream heat loss does exist. It is further shown that flame-front instability occurs only for rich mixtures in accordance with preferential diffusion considerations, and that flame stretch has a stabilizing effect such that flame-front instability is completely inhibited before the onset of extinction.

  8. Relationship between Surface Chemistry and Catalytic Performance of Mesoporous γ-Al2O3 Supported VOX Catalyst in Catalytic Dehydrogenation of Propane.

    PubMed

    Bai, Peng; Ma, Zhipeng; Li, Tingting; Tian, Yupeng; Zhang, Zhanquan; Zhong, Ziyi; Xing, Wei; Wu, Pingping; Liu, Xinmei; Yan, Zifeng

    2016-10-05

    Mesoporous γ-Al2O3 was synthesized via a cation-anion double hydrolysis approach (CADH). The synthesized mesoporous alumina displayed a relatively high surface area, a large pore volume and a narrow pore size distribution. By applying the mesoporous alumina as a support, supported vanadium catalysts were prepared and evaluated in the dehydrogenation of propane, exhibiting a superior catalytic performance over that supported on a commercial alumina. Materials were characterized with a variety of techniques such as X-ray diffraction, X-ray photoelectron spectroscopy, ultraviolet-visible spectroscopy, (51)V magnetic angle spinning nuclear magnetic resonance, Raman spectroscopy, Fourier transformed infrared spectroscopy of pyridine adsorption and thermogravimetric-differential thermal analysis. The correlated structure-performance relationship of catalysts reveals that a higher crystallization temperature endows mesoporous alumina materials with more surface acid sites, favoring the formation of polymerized VOX species, which are more active than isolated ones in the propane dehydrogenation, resulting in a better catalytic performance. The established relationship between surface chemistry and catalytic performance of supported VOX catalysts suggests that a superior vanadium catalyst for propane dehydrogenation could be achieved by rationally enriching the concentration of polymeric VOX species on the catalyst, which can be realized by tuning the surface acidity of alumina support.

  9. 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.

  10. Activation of Propane C-H and C-C Bonds by Gas-Phase Pt Atom: A Theoretical Study

    PubMed Central

    Li, Fang-Ming; Yang, Hua-Qing; Ju, Ting-Yong; Li, Xiang-Yuan; Hu, Chang-Wei

    2012-01-01

    The reaction mechanism of the gas-phase Pt atom with C3H8 has been systematically investigated on the singlet and triplet potential energy surfaces at CCSD(T)//BPW91/6-311++G(d, p), Lanl2dz level. Pt atom prefers the attack of primary over secondary C-H bonds in propane. For the Pt + C3H8 reaction, the major and minor reaction channels lead to PtC3H6 + H2 and PtCH2 + C2H6, respectively, whereas the possibility to form products PtC2H4 + CH4 is so small that it can be neglected. The minimal energy reaction pathway for the formation of PtC3H6 + H2, involving one spin inversion, prefers to start at the triplet state and afterward proceed along the singlet state. The optimal C-C bond cleavages are assigned to C-H bond activation as the first step, followed by cleavage of a C-C bond. The C-H insertion intermediates are kinetically favored over the C-C insertion intermediates. From C-C to C-H oxidative insertion, the lowering of activation barrier is mainly caused by the more stabilizing transition state interaction ΔE≠int, which is the actual interaction energy between the deformed reactants in the transition state. PMID:22942766

  11. 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)

  12. 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.

  13. Temperature programmed oxidation of coked H-gallosilicate (MFI) propane aromatization catalyst: Influence of catalyst composition and pretreatment parameters

    SciTech Connect

    Choudhary, V.R.; Devadas, P.; Sansare, S.D.; Guisnet, M.

    1997-03-01

    Temperature programmed oxidation (TPO) of H-gallosilicate (MFI) coked in the propane aromatization at 550{degrees}C for a time-on-stream of 7-8 h has been investigated by measuring point to point the consumption of oxygen and also the formation of the both CO and CO{sub 2} (by GC analysis using a 16-loop gas sampling valve) during the TPO run from 50{degrees} to 900{degrees}C at a linear heating rate of 20{degrees}C min{sup -1} in a flow (50 cm{sup 3} min{sup -1}) of a O{sub 2}-He mixture (8.0 mol% O{sub 2}). The SiGa and Na/Ga ratios, calcination temperature, and hydrothermal pretreatments of the zeolite and also the presence of binder (silica or kaolin) in the catalyst have a strong influence on the TPO of coked zeolite. The influence is attributed to changes in the zeolite properties (viz., zeolitic acidity or framework Ga and non-GW Ga-oxide species), which affect the coke oxidation both directly and/or indirectly, by controlling the nature of coke formed during the coking process. 23 refs., 4 figs., 2 tabs.

  14. 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.

  15. 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.

  16. 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.

  17. Development of a 100 nmol mol(-1) propane-in-air SRM for automobile-exhaust testing for new low-emission requirements.

    PubMed

    Rhoderick, George C

    2007-04-01

    New US federal low-level automobile emission requirements, for example zero-level-emission vehicle (ZLEV), for hydrocarbons and other species, have resulted in the need by manufacturers for new certified reference materials. The new emission requirement for hydrocarbons requires the use, by automobile manufacturing testing facilities, of a 100 nmol mol(-1) propane in air gas standard. Emission-measurement instruments are required, by federal law, to be calibrated with National Institute of Standards and Technology (NIST) traceable reference materials. Because a NIST standard reference material (SRM) containing 100 nmol mol(-1) propane was not available, the US Environmental Protection Agency (EPA) and the Automobile Industry/Government Emissions Research Consortium (AIGER) requested that NIST develop such an SRM. A cylinder lot of 30 gas mixtures containing 100 nmol mol(-1) propane in air was prepared in 6-L aluminium gas cylinders by a specialty gas company and delivered to the Gas Metrology Group at NIST. Another mixture, contained in a 30-L aluminium cylinder and included in the lot, was used as a lot standard (LS). Using gas chromatography with flame-ionization detection all 30 samples were compared to the LS to obtain the average of six peak-area ratios to the LS for each sample with standard deviations of <0.31%. The average sample-to-LS ratio determinations resulted in a range of 0.9828 to 0.9888, a spread of 0.0060, which corresponds to a relative standard deviation of 0.15% of the average for all 30 samples. NIST developed its first set of five propane in air primary gravimetric standards covering a concentration range 91 to 103 nmol mol(-1) with relative uncertainties of 0.15%. This new suite of propane gravimetric standards was used to analyze and assign a concentration value to the SRM LS. On the basis of these data each SRM sample was individually certified, furnishing the desired relative expanded uncertainty of +/-0.5%. Because automobile companies

  18. 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.

  19. 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

    2016-10-05

    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.

  20. 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

  1. Hardware assembly and prototype testing for the development of a dedicated liquefied propane gas ultra low emission vehicle

    NASA Astrophysics Data System (ADS)

    1995-07-01

    On February 3, 1994, IMPCO Technologies, Inc. started the development of a dedicated LPG Ultra Low Emissions Vehicle (ULEV) under contract to the Midwest Research Institute National Renewable Energy Laboratory Division (NREL). The objective was to develop a dedicated propane vehicle that would meet or exceed the California ULEV emissions standards. The project is broken into four phases to be performed over a two year period. The four phases of the project include: (Phase 1) system design, (Phase 2) prototype hardware assembly and testing, (Phase 3) full-scale systems testing and integration, and (Phase 4) vehicle demonstration. This report describes the approach taken for the development of the vehicle and the work performed through the completion of Phase-2 dynamometer test results. Work was started on Phase 2 (Hardware Assembly and Prototype Testing) in May 1994 prior to completion of Phase 1 to ensure that long lead items would be available in a timely fashion for the Phase 2 work. In addition, the construction and testing of the interim electronic control module (ECM), which was used to test components, was begun prior to the formal start of Phase 2. This was done so that the shortened revised schedule for the project (24 months) could be met. In this report, a brief summary of the activities of each combined Phase 1 and 2 tasks will be presented, as well as project management activities. A technical review of the system is also given, along with test results and analysis. During the course of Phase 2 activities, IMPCO staff also had the opportunity to conduct cold start performance tests of the injectors. The additional test data was most positive and will be briefly summarized in this report.

  2. Development, modeling, simulation, and testing of a novel propane-fueled Brayton-Gluhareff cycle acoustically-pressurized ramjet engine

    NASA Astrophysics Data System (ADS)

    Bramlette, Richard B.

    In the 1950s, Eugene Gluhareff built the first working "pressure jet" engine, a variation on the classical ramjet engine with a pressurized inlet system relying on sonic tuning which allowed operation at subsonic speeds. The engine was an unqualified success. Unfortunately, after decades of sales and research, Gluhareff passed away leaving behind no significant published studies of the engine or detailed analysis of its operation. The design was at serious risk of being lost to history. This dissertation is intended to address that risk by studying a novel subscale modification of Gluhareff's original design operating on the same principles. Included is a background of related engine and how the pressure jet is distinct. The preliminary sizing of a pressure jet using closed-form expressions is then discussed followed by a review of propane oxidation modeling, how it integrates into the Computational Fluid Dynamics (CFD) solver, and the modeling of the pressure jet engine cycle with CFD. The simulation was matched to experimental data recorded on a purpose-built test stand recording chamber pressure, exhaust speed (via a Pitot/static system), temperatures, and thrust force. The engine CFD simulation produced a wide range of qualitative results that matched the experimental data well and suggested strong recirculation flows through the engine confirming suspicions about how the engine operates. Engine operating frequency between CFD and experiment also showed good agreement and appeared to be driven by the "Kadenacy Effect." The research effort lastly opens the door for further study of the engine cycle, the use of pressurized intakes to produce static thrust in a ramjet engine, the Gluhareff pressure jet's original geometry, and a wide array of potential applications. A roadmap of further study and applications is detailed including a modeling and testing of larger engines.

  3. Hardware assembly and prototype testing for the development of a dedicated liquefied propane gas ultra low emission vehicle

    SciTech Connect

    1995-07-01

    On February 3, 1994, IMPCO Technologies, Inc. started the development of a dedicated LPG Ultra Low Emissions Vehicle (ULEV) under contract to the Midwest Research Institute National Renewable Energy Laboratory Division (NREL). The objective was to develop a dedicated propane vehicle that would meet or exceed the California ULEV emissions standards. The project is broken into four phases to be performed over a two year period. The four phases of the project include: (Phase 1) system design, (Phase 2) prototype hardware assembly and testing, (Phase 3) full-scale systems testing and integration, (Phase 4) vehicle demonstration. This report describes the approach taken for the development of the vehicle and the work performed through the completion of Phase II dynamometer test results. Work was started on Phase 2 (Hardware Assembly and Prototype Testing) in May 1994 prior to completion of Phase 1 to ensure that long lead items would be available in a timely fashion for the Phase 2 work. In addition, the construction and testing of the interim electronic control module (ECM), which was used to test components, was begun prior to the formal start of Phase 2. This was done so that the shortened revised schedule for the project (24 months) could be met. In this report, a brief summary of the activities of each combined Phase 1 and 2 tasks will be presented, as well as project management activities. A technical review of the system is also given, along with test results and analysis. During the course of Phase 2 activities, IMPCO staff also had the opportunity to conduct cold start performance tests of the injectors. The additional test data was most positive and will be briefly summarized in this report.

  4. Heterolytic Activation of C-H Bonds on Cr(III)-O Surface Sites Is a Key Step in Catalytic Polymerization of Ethylene and Dehydrogenation of Propane.

    PubMed

    Conley, Matthew P; Delley, Murielle F; Núñez-Zarur, Francisco; Comas-Vives, Aleix; Copéret, Christophe

    2015-06-01

    We describe the reactivity of well-defined chromium silicates toward ethylene and propane. The initial motivation for this study was to obtain a molecular understanding of the Phillips polymerization catalyst. The Phillips catalyst contains reduced chromium sites on silica and catalyzes the polymerization of ethylene without activators or a preformed Cr-C bond. Cr(II) sites are commonly proposed active sites in this catalyst. We synthesized and characterized well-defined chromium(II) silicates and found that these materials, slightly contaminated with a minor amount of Cr(III) sites, have poor polymerization activity and few active sites. In contrast, chromium(III) silicates have 1 order of magnitude higher activity. The chromium(III) silicates initiate polymerization by the activation of a C-H bond of ethylene. Density functional theory analysis of this process showed that the C-H bond activation step is heterolytic and corresponds to a σ-bond metathesis type process. The same well-defined chromium(III) silicate catalyzes the dehydrogenation of propane at elevated temperatures with activities similar to those of a related industrial chromium-based catalyst. This reaction also involves a key heterolytic C-H bond activation step similar to that described for ethylene but with a significantly higher energy barrier. The higher energy barrier is consistent with the higher pKa of the C-H bond in propane compared to the C-H bond in ethylene. In both cases, the rate-determining step is the heterolytic C-H bond activation.

  5. A practical grinding-assisted dry synthesis of nanocrystalline NiMoO{sub 4} polymorphs for oxidative dehydrogenation of propane

    SciTech Connect

    Chen Miao; Wu Jialing; Liu Yongmei; Cao Yong; Guo Li; He Heyong; Fan Kangnian

    2011-12-15

    A practical two-stage reactive grinding-assisted pathway waste-free and cost-effective for the synthesis of NiMoO{sub 4} has been successfully developed. It was demonstrated that proper design in synthetic strategy for grinding plays a crucial role in determining the ultimate polymorph of NiMoO{sub 4}. Specifically, direct grinding (DG) of MoO{sub 3} and NiO rendered {alpha}-NiMoO{sub 4} after annealing, whereas sequential grinding (SG) of the two independently pre-ground oxides followed by annealing generated {beta}-NiMoO{sub 4} solid solution. Characterizations in terms of Raman and X-ray diffraction suggest the creation of {beta}-NiMoO{sub 4} precursor in the latter alternative is the key aspect for the formation of {beta}-NiMoO{sub 4}. The DG-derived {alpha}-NiMoO{sub 4} tested by oxidative dehydrogenation of propane exhibited superior activity in contrast to its analog synthesized via conventional coprecipitation. It is suggested that the favorable chemical composition facilely obtained via grinding in contrast to that by coprecipitation was essential for achieving a more selective production of propylene. - Graphical Abstract: Grinding-assisted synthesis of NiMoO{sub 4} offers higher and more reproducible activities in contrast to coprecipitation for oxidative dehydrogenation of propane, and both {alpha}- and {beta}-NiMoO{sub 4} can be synthesized. Highlights: Black-Right-Pointing-Pointer NiMoO{sub 4} was prepared through grinding-assisted pathway. Black-Right-Pointing-Pointer Direct/sequential grinding rendered {alpha}-, {beta}-NiMoO{sub 4}, respectively. Black-Right-Pointing-Pointer Grinding-derived {alpha}-NiMoO{sub 4} showed high and reproducible activity for oxidative dehydrogenation of propane.

  6. Effect of a single oral dose of methanol, ethanol and propan-2-ol on the hepatic microsomal metabolism of foreign compounds in the rat.

    PubMed Central

    Powis, G

    1975-01-01

    Methanol and ethanol administered to rats as a single oral dose increased aniline hydroxylation by the hepatic microsomal fraction by a maximum of 169 and 66% respectively, whereas aminopyrine demethylation was inhibited by 51 and 61%. The concentration of microsomal cytochrome P-450, and the activities of NADPH-cytochrome c reductase and NADPH-cytochrome P-450 reductase were unchanged. Propan-2-ol, administered as a single oral dose, increased microsomal aniline hydroxylation by 165% and increased aminopyrine demethylation by 83%. The concentration of cytochrome P-450 was unchanged whereas NADPH-cytochrome c reductase and NADPH-cytochrome P-450 reductase were both increased by 38%. Methanol, ethanol and propan-2-ol administration resulted in a decreased type I spectral change but had no effect on the reverse type I spectral change. Methanol administration decreased the type II spectral change whereas ethanol and propan-2-ol had no effect. Cycloheximide blocked the increases in aniline hydroxylation and aminopyrine demethylation but could not completely prevent the decreases in aminopyrine demethylation. The increases in aniline hydroxylation were due to an increase in V, but Km was unchanged. The ability of acetone to enhance and compound SKF 525A to inhibit microsomal aniline hydroxylation was decreased by the administration of all three alcohols. The decrease in the metabolism of aminopyrine may result from a decrease in the binding to the type I site with a consequent failure of aminopyrine to stimulate the reduction of cytochrome P-450. Methanol administration may lead to an increase in aniline hydroxylation because of a failure of aniline to inhibit cytochrome P-450 reduction. PMID:168885

  7. 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

  8. Adsorption of acrolein, propanal, and allyl alcohol on Pd(111): a combined infrared reflection-absorption spectroscopy and temperature programmed desorption study.

    PubMed

    Dostert, Karl-Heinz; O'Brien, Casey P; Mirabella, Francesca; Ivars-Barceló, Francisco; Schauermann, Swetlana

    2016-05-18

    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[double bond, length as m-dash]C vs. C[double bond, length as m-dash]O 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 multilayer coverages, reflecting the molecular structure of unperturbed molecules, with the spectra acquired for sub-monolayer coverages, at which the chemical bonds of the molecules are strongly distorted. Coverage-dependent IR spectra of acrolein on Pd(111) point to the strong changes in the adsorption geometry with increasing acrolein coverage. Acrolein adsorbs with the C[double bond, length as m-dash]C and C[double bond, length as m-dash]O bonds lying parallel to the surface in the low coverage regime and changes its geometry to a more upright orientation with increasing coverage. TPD studies indicate decomposition of the species adsorbed in the sub-monolayer regime upon heating. Similar strong coverage dependence of the IR spectra were found for propanal and allyl alcohol. For all investigated molecules a detailed assignment of vibrational bands is reported.

  9. (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

  10. 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.

  11. 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.

  12. Volumetric Properties of the Mixture Propan-2-ol C3H8O + C5H12O Pentan-1-ol (VMSD1511, LB3549_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 Propan-2-ol C3H8O + C5H12O Pentan-1-ol (VMSD1511, LB3549_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).

  13. Volumetric Properties of the Mixture Trichloroethene C2HCl3 + C3H8O Propan-1-ol (VMSD1412, LB4855_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 Trichloroethene C2HCl3 + C3H8O Propan-1-ol (VMSD1412, LB4855_V)' providing data by calculation of isentropic compressibility from low-pressure density and thermodynamic speed of sound data at variable mole fraction and constant temperature, in the single-phase region(s).

  14. 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).

  15. Volumetric Properties of the Mixture Propan-2-ol C3H8O + C9H20O Nonan-1-ol (VMSD1511, LB3550_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 Propan-2-ol C3H8O + C9H20O Nonan-1-ol (VMSD1511, LB3550_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).

  16. Volumetric Properties of the Mixture Propan-2-ol C3H8O + C7H16O Heptan-1-ol (VMSD1511, LB3551_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 Propan-2-ol C3H8O + C7H16O Heptan-1-ol (VMSD1511, LB3551_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. Volumetric Properties of the Mixture Trichloroethene C2HCl3 + C3H8O Propan-1-ol (VMSD1511, LB4847_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 Trichloroethene C2HCl3 + C3H8O Propan-1-ol (VMSD1511, LB4847_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).

  18. 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

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

    PubMed

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

    2013-07-09

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

  20. Crystal structure of dioxidobis(pentane-2,4-dionato-κ2 O,O′)[1-phenyl-3-(pyridin-4-yl)propane-κN]uranium(VI)

    PubMed Central

    Kawasaki, Takeshi; Kitazawa, Takafumi

    2015-01-01

    In the title compound, [UO2(C5H7O2)2(C14H15N)], the uran­yl(VI) unit ([O=U=O]2+) is coordinated to two acetyl­acetonate (acac) anions and one 1-phenyl-3-(pyridin-4-yl)propane (ppp) mol­ecule. The geometry around the U atom is UNO6 penta­gonal–bipyramidal; two uran­yl(VI) O atoms are located at the axial positions, whereas four O atoms from two chelating bidentate acac ligands and one N atom of a ppp ligand form the equatorial plane. PMID:25705446

  1. Crystal structure of dioxidobis(pentane-2,4-dionato-κ(2) O,O')[1-phenyl-3-(pyridin-4-yl)propane-κN]uranium(VI).

    PubMed

    Kawasaki, Takeshi; Kitazawa, Takafumi

    2015-01-01

    In the title compound, [UO2(C5H7O2)2(C14H15N)], the uran-yl(VI) unit ([O=U=O](2+)) is coordinated to two acetyl-acetonate (acac) anions and one 1-phenyl-3-(pyridin-4-yl)propane (ppp) mol-ecule. The geometry around the U atom is UNO6 penta-gonal-bipyramidal; two uran-yl(VI) O atoms are located at the axial positions, whereas four O atoms from two chelating bidentate acac ligands and one N atom of a ppp ligand form the equatorial plane.

  2. Structures, Mechanisms, and Kinetics of Ammoxidation and Selective Oxidation of Propane Over the M2 Phase of MoVNbTeO Catalysts

    SciTech Connect

    Goddard, William A.; Liu, Lianchi; Mueller, Jonathan E.; Pudar, Sanja; Nielsen, Robert J.

    2011-05-04

    We report here first-principles-based predictions of the structures, mechanisms, and activation barriers for propane activation by the M2 phase of the MoVNbTeO multi-metal oxide catalysts capable of the direct conversion of propane to acrylonitrile. Our approach is to combine extensive quantum mechanical (QM) calculations to establish the mechanisms for idealized representations of the surfaces for these catalytic systems and then to modify the parameters in the ReaxFF reactive force field for molecular dynamics (MD) calculations to describe accurately the activation barriers and reaction mechanisms of the chemical reactions over complex mixed metal oxides. The parameters for ReaxFF are derived entirely from QM without the use of empirical data so that it can be applied to novel systems on which there is little or no data. To understand the catalysis in these systems it is essential to determine the surface structures that control the surface chemistry. High quality three-dimensional (3D) Rietveld structures are now available for the M1 and M2 phases of the MoVNbTeO catalysts.

  3. 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.

  4. 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.

  5. 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.

  6. Synthesis and trypanocidal activity of a library of 4-substituted 2-(1H-pyrrolo[3,2-c]pyridin-2-yl)propan-2-ols.

    PubMed

    Balfour, Michael N; Franco, Caio H; Moraes, Carolina B; Freitas-Junior, Lucio H; Stefani, Hélio A

    2017-03-10

    A library of 16 4-substituted 2-(1H-pyrrolo[3,2-c]pyridin-2-yl)propan-2-ols 17-32 has been synthesized for use in biological testing against Trypanosoma cruzi, the protozoan parasite that causes Chagas disease. The 4-substituted 2-(1H-pyrrolo[3,2-c]pyridin-2-yl)propan-2-ols 17-32 were subjected to biological testing to evaluate their efficacy against intracellular Trypanosoma cruzi (Y strain) amastigotes infecting U2OS human cells, with benznidazole as a reference compound. The assay was performed in duplicate (two independent experiments) and submitted to High Content Analysis (HCA) for determination of trypanocidal activity. Three of the tested compounds presented relatively high trypanocidal activity (19, 22 and 29), however severe host cell toxicity was observed concomitantly. Chemical optimization of the highly active compounds and the synthesis of more compounds for biological testing against Trypanosoma cruzi will be required to improve selectivity and so that a structure-activity relationship can be generated to provide a more insightful analysis of both chemical and biological aspects.

  7. 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.

  8. Synthesis and intravenous infusion into the rat of glyceryl bisacetoacetate, 1-acetoacetamido-2, 3-propane diol, and partially reduced glucosyl pentaacetoacetate.

    PubMed

    Birkhahn, R H; Clemens, R J; Hubbs, J C

    1997-07-01

    The efficacy of parenteral nutrition could be improved by finding a more effective energy source. Esters of short-chain fatty acids have exhibited some promise as alternatives to glucose. The present study reports on two new esters and one amide, each containing acetoacetate as the organic acid. The three compounds: glyceryl bisacetoacetate, N-2',3'-dihydroxypropyl-3-oxo-butanamide (1-acetoacetamido-2,3-propane diol), and partially reduced glucosyl pentaacetoacetate, were synthesized and then continuously infused into rats for 7 d. The infusion rate provided 50% of the rats' estimated metabolic energy requirements, and rats were fed with a reduced-energy oral diet that provided the remaining 50% of energy plus adequate protein. Rat groups for each compound were: (1) experimental-compound-infused and ad libitum-fed, (2) isoenergetic glucose-infused and pairfed, and (3) saline infused and pair-fed. Body-weight changes, N losses and N retention were measured daily. All rats died from partially reduced glucosyl pentaacetoacetate infusion at 100% and 50% of the intended rate. Rats infused with 1-acetoacetamido-2,3-propane diol failed to gain weight and to increase the plasma ketone-body concentration. Glyceryl bisacetoacetate produced hyperketonaemia, and weight gain and N variables that were similar to those for glucose-infused rats. It was concluded that only glyceryl bisacetoacetate would make a satisfactory parenteral nutrient.

  9. High-performance liquid chromatography separation of small molecules on a porous poly (trimethylol propane triacrylate-co-N-isopropylacrylamide-co-ethylene dimethacrylate) monolithic column.

    PubMed

    Liu, Haiyan; Bai, Xiaomei; Wei, Dan; Yang, Gengliang

    2014-01-10

    A porous monolith was prepared by in situ free-radical polymerization using N-isopropylacrylamide (NIPAAm) and trimethylol propane triacrylate (TMPTA) as functional monomers, ethylene dimethacrylate (EDMA) as crosslinking agent. The chemical group of the monolith was assayed by a Fourier transform infrared spectroscopy (FT-IR) method and the morphology of optimized monolithic column was characterized by scanning electron microscopy (SEM). The mechanical strength and permeability have been studied in detail as well. The run-to-run and column-to-column reproducibility of the retention times were less than 0.9% and 3.0%, respectively. Furthermore, the influence of temperature and mobile phase composition on the separation of aromatic compounds was investigated. The results indicated that poly (trimethylol propane triacrylate-co-N-isopropylacrylamide-co-ethylenedimethacrylate) (TMPTA-co-NIPAAm-co-EDMA) monolithic column not only had high porosity and strong rigidity, but also was a promising tool for analyzing small molecule compounds with a short analysis time by controlling the column temperature.

  10. 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; ...

    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

  11. 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.

  12. 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

  13. Crystal structure of bis-(propane-1,3-diaminium) hexa-fluorido-aluminate di-aqua-tetra-fluorido-aluminate tetra-hydrate.

    PubMed

    Abdi, Insaf; Al-Sadhan, Khulood; Ben Ali, Amor

    2014-12-01

    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-di-amino-propane as educts. The asymmetric unit contains a quarter each of two crystallographically independent propane-1,3-di-ammonium dicat-ions, [AlF6](3-) and [AlF4(H2O)2](-) anions and four water mol-ecules. The cations, anions and three of the independent water mol-ecules are situated on special positions mm, while the fourth water mol-ecule is disordered about a mirror plane. In the crystal, inter-molecular 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 mol-ecules, which generate O-H⋯O hydrogen bonds and further consolidate the packing.

  14. 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

  15. 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

  16. Crystal structures of two mononuclear complexes of terbium(III) nitrate with the tripodal alcohol 1,1,1-tris-(hy-droxy-meth-yl)propane.

    PubMed

    Gregório, Thaiane; Giese, Siddhartha O K; Nunes, Giovana G; Soares, Jaísa F; Hughes, David L

    2017-02-01

    Two new mononuclear cationic complexes in which the Tb(III) ion is bis-chelated by the tripodal alcohol 1,1,1-tris-(hy-droxy-meth-yl)propane (H3L(Et), C6H14O3) were prepared from Tb(NO3)3·5H2O and had their crystal and mol-ecular structures solved by single-crystal X-ray diffraction analysis after data collection at 100 K. Both products were isolated in reasonable yields from the same reaction mixture by using different crystallization conditions. The higher-symmetry complex dinitratobis[1,1,1-tris-(hy-droxy-meth-yl)propane]-terbium(III) nitrate di-meth-oxy-ethane hemisolvate, [Tb(NO3)2(H3L(Et))2]NO3·0.5C4H10O2, 1, in which the lanthanide ion is 10-coordinate and adopts an s-bicapped square-anti-prismatic coordination geometry, contains two bidentate nitrate ions bound to the metal atom; another nitrate ion functions as a counter-ion and a half-mol-ecule of di-meth-oxy-ethane (completed by a crystallographic twofold rotation axis) is also present. In product aqua-nitratobis[1,1,1-tris-(hy-droxy-meth-yl)propane]-terbium(III) dinitrate, [Tb(NO3)(H3L(Et))2(H2O)](NO3)2, 2, one bidentate nitrate ion and one water mol-ecule are bound to the nine-coordinate terbium(III) centre, while two free nitrate ions contribute to charge balance outside the tricapped trigonal-prismatic coordination polyhedron. No free water mol-ecule was found in either of the crystal structures and, only in the case of 1, di-meth-oxy-ethane acts as a crystallizing solvent. In both mol-ecular structures, the two tripodal ligands are bent to one side of the coordination sphere, leaving room for the anionic and water ligands. In complex 2, the methyl group of one of the H3L(Et) ligands is disordered over two alternative orientations. Strong hydrogen bonds, both intra- and inter-molecular, are found in the crystal structures due to the number of different donor and acceptor groups present.

  17. 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

  18. The ALMA-PILS survey: First detections of ethylene oxide, acetone and propanal toward the low-mass protostar IRAS 16293-2422

    NASA Astrophysics Data System (ADS)

    Lykke, J. M.; Coutens, A.; Jørgensen, J. K.; van der Wiel, M. H. D.; Garrod, R. T.; Müller, H. S. P.; Bjerkeli, P.; Bourke, T. L.; Calcutt, H.; Drozdovskaya, M. N.; Favre, C.; Fayolle, E. C.; Jacobsen, S. K.; Öberg, K. I.; Persson, M. V.; van Dishoeck, E. F.; Wampfler, S. F.

    2017-01-01

    Context. One of the open questions in astrochemistry is how complex organic and prebiotic molecules are formed. The unsurpassed sensitivity of the Atacama Large Millimeter/submillimeter Array (ALMA) takes the quest for discovering molecules in the warm and dense gas surrounding young stars to the next level. Aims: Our aim is to start the process of compiling an inventory of oxygen-bearing complex organic molecules toward the solar-type Class 0 protostellar binary IRAS 16293-2422 from an unbiased spectral survey with ALMA, Protostellar Interferometric Line Survey (PILS). Here we focus on the new detections of ethylene oxide (c-C2H4O), acetone (CH3COCH3), and propanal (C2H5CHO). Methods: With ALMA, we surveyed the spectral range from 329 to 363 GHz at 0.5″ (60 AU diameter) resolution. Using a simple model for the molecular emission in local thermodynamical equilibrium, the excitation temperatures and column densities of each species were constrained. Results: We successfully detect propanal (44 lines), ethylene oxide (20 lines) and acetone (186 lines) toward one component of the protostellar binary, IRAS 16293B. The high resolution maps demonstrate that the emission for all investigated species originates from the compact central region close to the protostar. This, along with a derived common excitation temperature of Tex ≈ 125 K, is consistent with a coexistence of these molecules in the same gas. Conclusions: The observations mark the first detections of acetone, propanal and ethylene oxide toward a low-mass protostar. The relative abundance ratios of the two sets of isomers, a CH3COCH3/C2H5CHO ratio of 8 and a CH3CHO/c-C2H4O ratio of 12, are comparable to previous observations toward high-mass protostars. The majority of observed abundance ratios from these results as well as those measured toward high-mass protostars are up to an order of magnitude above the predictions from chemical models. This may reflect either missing reactions or uncertain rates in the

  19. Crystal structure of 1,3-bis­[(E)-4-meth­oxy­benzyl­idene­amino]­propan-2-ol

    PubMed Central

    Rivera, Augusto; Miranda-Carvajal, Ingrid; Ríos-Motta, Jaime; Bolte, Michael

    2016-01-01

    The title Schiff base, C19H22N2O3, was synthesized via the condensation reaction of 1,3-di­amino­propan-2-ol with 4-meth­oxy­benzaldehyde using water as solvent. The mol­ecule exists in an E,E conformation with respect to the C=N imine bonds and the dihedral angle between the aromatic rings is 37.25 (15)°. In the crystal, O—H⋯N hydrogen bonds link the mol­ecules into infinite C(5) chains propagating along the a-axis direction. The packing of these chains is consolidated by C—H⋯O inter­actions and C—H⋯π short contacts, forming a three-dimensional network. PMID:27980818

  20. 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.

  1. Crystal structure of 1-[2-(4-chloro­phen­yl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol

    PubMed Central

    Mohamed, Shaaban K.; Marzouk, Adel A.; Albayati, Mustafa R.; Abdelhamid, Antar A.; Simpson, Jim

    2017-01-01

    The title compound, C24H21ClN2O, crystallizes with two unique mol­ecules in the asymmetric unit. In each mol­ecule, the central imidazole ring is substituted at the 2-, 4- and 5-positions by benzene rings. The 2-substituted ring carries a Cl atom at the 4-position. One of the imidazole N atoms in each mol­ecule has a propan-2-ol substituent. In the crystal, a series of O—H⋯N, C—H⋯O and C—H⋯Cl hydrogen bonds, augmented by several C—H⋯π(ring) inter­actions, generate a three-dimensional network of mol­ecules stacked along the a-axis direction. PMID:28083137

  2. Bis­[4,4′-(propane-1,3-di­yl)­dipiperidin­ium] β-octa­molybdate(VI)

    PubMed Central

    Driss, Mohamed; Ksiksi, Rekaya; Ben Amor, Fatma; Zid, Mohamed Faouzi

    2010-01-01

    The title compound, bis­[4,4′-(propane-1,3-di­yl)­dipiperidin­ium] β-octa­molybdate(VI), (C13H28N2)2[Mo8O26], was produced by hydro­thermal reaction of an acidified aqueous solution of Na2MoO4·2H2O and 4,4′-trimethyl­ene­dipiperidine (L). The structure of the title compound consists of β-octa­molybdate(VI) anion clusters and protonated [H2 L]2+ cations. The octa­molybdate anion is located around an inversion center. N—H⋯O hydrogen bonds between the cations and anions ensure the cohesion of the structure and result in a three-dimensional network. PMID:21579027

  3. 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.

  4. 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.

  5. Crystal structure of [propane-1,3-diylbis(piperidine-4,1-di-yl)]bis-[(pyridin-4-yl)methanone]-isophthalic acid (1/1).

    PubMed

    Murray, Nathan H; Biros, Shannon M; LaDuca, Robert L

    2014-11-01

    In the crystal structure of the title co-crystal, C25H32N4O2·C8H6O4, isophthalic acid and [propane-1,3-diylbis(piperidine-4,1-di-yl)]bis-(pyridin-4-yl-methanone) mol-ecules are connected into supra-molecular chains aligned along the c axis by O-H⋯N hydrogen bonding. These aggregate into supra-molecular layers oriented parallel to the ac plane by C-H⋯O inter-actions. These layers then stack in an ABCD pattern along the b-axis direction by additional C-H⋯O inter-actions to give the full three-dimensional crystal structure. The central chain in the di-pyridyl-amide molecule has an anti-gauche conformation.

  6. Desorption Kinetics of Ar, Kr, Xe, N2, O2, CO, Methane, Ethane, and Propane from Graphene and Amorphous Solid Water Surfaces

    SciTech Connect

    Smith, R. Scott; May, Robert A.; Kay, Bruce D.

    2016-03-03

    The desorption kinetics for Ar, Kr, Xe, N2, O2, CO, methane, ethane, and propane from grapheme covered Pt(111) and amorphous solid water (ASW) surfaces are investigated using temperature programmed desorption (TPD). The TPD spectra for all of the adsorbates from graphene have well-resolved first, second, third, and multi- layer desorption peaks. The alignment of the leading edges is consistent the zero-order desorption for all of the adsorbates. An Arrhenius analysis is used to obtain desorption energies and prefactors for desorption from graphene for all of the adsorbates. In contrast, the leading desorption edges for the adsorbates from ASW do not align (for coverages < 2 ML). The non-alignment of TPD leading edges suggests that there are multiple desorption binding sites on the ASW surface. Inversion analysis is used to obtain the coverage dependent desorption energies and prefactors for desorption from ASW for all of the adsorbates.

  7. An Efficient Strategy for the Synthesis of 1-(Trifluoromethylsulfonamido)propan-2-yl Esters and the Evaluation of Their Cytotoxic Activity.

    PubMed

    Gómez-García, Omar; Gómez, Elizabeth; Monzón-González, César; Ramírez-Apan, Teresa; Álvarez-Toledano, Cecilio

    2017-01-01

    An efficient method for the synthesis of 1-(trifluoromethylsulfonamido)propan-2-yl benzoates is described, the products of the reaction were characterized by heteronuclear single quantum coherence spectroscopy (HSQC), heteronuclear multiple bond correlation (HMBC) and NMR experiments. The overall process began with the activation of the oxazoline ring by triflic anhydride, followed by the opening of the five-membered ring in the 5-methyl-2-phenyl-4,5-dihydrooxazole system. The cytotoxic activity of the new trifluoromethyl sulfonamides was evaluated with six cancer cell lines and human gingival fibroblasts, posteriorly analyzing the influence on cytotoxicity exerted by the withdrawing and donor substituents at the para-position of the phenyl ring. Compounds 3b-e showed cytotoxic activity, with IC50 values ranging from 17-17.44 µM for the cell lines tested, finding the highest effect for compound 3e.

  8. Stimulatory effect on rat thymocytes proliferation and antimicrobial activity of two 6-(propan-2-yl)-4-methyl-morpholine-2,5-diones.

    PubMed

    Pavlovic, Voja; Djordjevic, Aleksandra; Cherneva, Emiliya; Yancheva, Denitsa; Smelcerovic, Andrija

    2012-03-01

    Recently we reported the identification and synthesis of cyclodidepsipeptides, 3,6-di(propan-2-yl)-4-methyl-morpholine-2,5-dione (PPM) and 3-(2-methylpropyl)-6-(propan-2-yl)-4-methyl-morpholine-2,5-dione (BPM), as potential precursors of enniatin B in Fusarium sporotrichioides. No data concerning biological activity of PPM and BPM have hitherto been published. The possible immunomodulatory effect and antimicrobial activity of PPM and BPM were investigated in this study, due to well known biological activities of enniatin B. The cytotoxicity effect of PPM and BPM on rat thymocytes demonstrated that increasing concentrations (0.1, 1, 10 μg/well) of PPM and BPM to cell culture, showed no significant effect on thymocytes toxicity. Simultaneously, incubation with studied cyclodidepsipeptides did not result with decreased mitochondrial membrane potential. Further, thymocytes exposure to increasing concentration of PPM and BPM was not able to induce significant reactive oxygen species (ROS) production in rat thymocytes. PPM and BPM administrations to cell culture in concentrations of 0.1 and 1 μg/well resulted with no significant increase of proliferative activity. However, significantly increased proliferative activity was detected with 10 μg of PPM (p<0.001) and BPM (p<0.05), as compared to their respective controls. The in vitro antimicrobial activity of PPM and BPM was tested against two Gram-positive and three Gram-negative bacteria. The results indicated that MIC values against tested strains ranged between 2.00 and 25.00 mg/ml. PPM showed much better activity against all tested bacteria in comparison with BPM. PPM was equally effective against both Gram-positive and Gram-negative bacteria, at the dose of 2.00 mg/ml.

  9. 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.

  10. 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.

  11. Synthesis, docking studies and biological evaluation of benzo[b]thiophen-2-yl-3-(4-arylpiperazin-1-yl)-propan-1-one derivatives on 5-HT1A serotonin receptors.

    PubMed

    Pessoa-Mahana, Hernán; Recabarren-Gajardo, Gonzalo; Temer, Jenny Fiedler; Zapata-Torres, Gerald; Pessoa-Mahana, C David; Barría, Claudio Saitz; Araya-Maturana, Ramiro

    2012-02-03

    A series of novel benzo[b]thiophen-2-yl-3-(4-arylpiperazin-1-yl)-propan-1-one derivatives 6a-f, 7a-f and their corresponding alcohols 8a-f were synthesized and evaluated for their affinity towards 5-HT(1A) receptors. The influence of arylpiperazine moiety and benzo[b]thiophene ring substitutions on binding affinity was studied. The most promising analogue, 1-(benzo[b]thiophen-2-yl)-3-(4-(pyridin-2-yl)piperazin-1-yl)propan-1-one (7e) displayed micromolar affinity (K(i) = 2.30 μM) toward 5-HT(1A) sites. Docking studies shed light on the relevant electrostatic interactions which could explain the observed affinity for this compound.

  12. 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%).

  13. FTIR and Raman spectra, electronic spectra and normal coordinate analysis of N,N-dimethyl-3-phenyl-3-pyridin-2-yl-propan-1-amine by DFT method

    NASA Astrophysics Data System (ADS)

    Renuga, S.; Karthikesan, M.; Muthu, S.

    2014-06-01

    The Fourier transform infrared (FT-IR) and FT-Raman spectra of N,N-dimethyl-3-phenyl-3-pyridin-2-yl-propan-1-amine have been recorded in the range 4000-500 cm-1 and 4000-50 cm-1 respectively. The complete vibrational assignment and analysis of the fundamental modes of the compound were carried out using the observed FT-IR and FT Raman data. The vibrational frequencies experimentally determined, was compared with the theoretical frequencies computed by DFT gradient calculations (B3LYP method) employing the 6-31+G(d, p) basis set for the optimized geometry of the compound. The geometry and normal modes of vibration obtained from the DFT method are in good agreement with the experimental data. The assignments of the vibrational spectra have been carried out with the help of Normal Coordinate Analysis (NCA) following the Scaled Quantum Mechanical Force Field Methodology (SQMFF). The calculated infrared and Raman spectra of the title compounds were also stimulated utilizing the scaled force fields and the computed dipole derivatives for IR intensities and polarizability derivatives for Raman intensities. The change in electron density (ED) in the σ* and π* antibonding orbitals and stabilization energies E(2) have been calculated by Natural Bond Orbital (NBO) analysis to give clear evidence of stabilization originating in the hyper conjugation of hydrogen-bonded interaction. The electronic spectrum determined by TD-DFT method is compared with the observed electronic spectrum.

  14. Synthesis, spectral identification, electrochemical behavior and theoretical investigation of new zinc complexes of bis((E) 3-(2-nitrophenyl)-2-propenal)propane-1,2-diimine

    NASA Astrophysics Data System (ADS)

    Montazerozohori, Morteza; Sedighipoor, Maryam

    2012-10-01

    Synthesis, spectroscopic, electrochemical behavior and theoretical investigation of some zinc complexes of a new Schiff base ligand of bis((E) 3-(2-nitrophenyl)-2-propenal)propane-1,2-diimine (L) with a general formula of ZnLX2(X = Cl-, Br-, I-, SCN- and N3-) are described. The ligand and its complexes were identified by elemental analysis, molar conductivity, UV-Visible spectra, FT-IR spectra, 1H NMR and 13C NMR spectra. The complexes were found to be molecular and non-electrolyte based on conductivity measurement. The spectral data confirm coordination of ligand and anions(X-) to zinc ion center. Electrochemical behavior of ligand and complexes were investigated by cyclic voltammetry technique exhibiting different redox behavior of complexes with respect to free ligand so that the ligand and complexes showed quasi-reversible and irreversible electron transfer processes respectively. Molecular structures of the ligand and complexes have been optimized at the UB3LYP/LANL2MB∗ level of theory. Accordingly some theoretical thermodynamical and/or structural parameters such as HF-energy, Gibbs free energy, enthalpy, selected bond distances, bond angles and torsion angles of optimized structures are presented.

  15. 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.

  16. Physical properties of fluorinated propane and butane derivatives and the vapor pressure of R-245ca/338mccq mixtures as R-11 alternatives

    SciTech Connect

    Beyerlein, A.L.; DesMarteau, D.D.; Xie, Y.; Naik, K.N.

    1996-11-01

    Two new fluorinated propane derivatives, six new fluorinated butane derivatives,and the R-245ca(HCF{sub 2}CF{sub 2}CH{sub 2}F)/338mccq(CF{sub 3}CF{sub 2}CH{sub 2}CH{sub 2}F) mixtures are investigated as R-11 alternatives. The investigations on the pure chemicals included measurements of the melting point, boiling point, vapor pressure below the boiling point, heat of vaporization at the boiling point, saturated liquid density, and critical properties (temperature and density). Four of the butane derivatives--R-338mcfm, R-356mffm, R-356mecs, and R-356mms--have boiling points comparable to that of R-11 and have potential as far-term R-11 alternatives. The vapor pressures of the R-245ca/338mccq mixtures were measured over the entire concentration range for temperatures ranging from 25 C (77 F) to 135 C (275 F). The mixtures form an azeotrope at 0.64 R-245ca mole fraction with a normal boiling point of 22.6 C (72.7 F).

  17. 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).

  18. 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.

  19. Brillouin spectroscopy studies of two-component polymerizable liquid system: 2,2-bis[4-(2-hydroxymethacryloxypropoxy)phenyl]propane/benzyl methacrylate.

    PubMed

    Łapsa, K; Marcinkowska, A; Andrzejewska, E; Drozdowski, M

    2011-08-15

    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.

  20. 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.

  1. 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.

  2. 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

  3. Crystal structure of triethyl 2-(5-nitro-2H-indazol-2-yl)propane-1,2,3-tri­carboxyl­ate

    PubMed Central

    Boulhaoua, Mohammed; Benchidmi, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen

    2015-01-01

    In the title compound, C19H23N3O8, the 5-nitro-2H-indazol-2-yl unit is almost planar, with the maximum deviation from the mean plane being 0.024 (2) Å. The fused-ring system is nearly perpendicular to the three carboxyl­ate groups, with dihedral angles of 90.0 (3), 83.8 (1) and 80.4 (1)°. The ethyl groups attached to both ends of the propane chain are each disordered over two sets of sites, with site-occupancy ratios of 0.425 (17):0.575 (17) and 0.302 (15):0.698 (15). In the crystal, mol­ecules are linked by pairs of C—H⋯N hydrogen bonds, forming inversion dimers. The dimers are further linked by C—H⋯O hydrogen bonds, forming a three-dimensional network. PMID:26594476

  4. Deposition of antibacterial of poly(1,3-bis-(p-carboxyphenoxy propane)-co-(sebacic anhydride)) 20:80/gentamicin sulfate composite coatings by MAPLE

    NASA Astrophysics Data System (ADS)

    Cristescu, R.; Popescu, C.; Socol, G.; Visan, A.; Mihailescu, I. N.; Gittard, S. D.; Miller, P. R.; Martin, T. N.; Narayan, R. J.; Andronie, A.; Stamatin, I.; Chrisey, D. B.

    2011-04-01

    We report on thin film deposition of poly(1,3-bis-(p-carboxyphenoxy propane)-co-sebacic anhydride)) 20:80 thin films containing several gentamicin concentrations by matrix assisted pulsed laser evaporation (MAPLE). A pulsed KrF* excimer laser was used to deposit the polymer-drug composite thin films. Release of gentamicin from these MAPLE-deposited polymer conjugate structures was assessed. Fourier transform infrared spectroscopy was used to demonstrate that the functional groups of the MAPLE-transferred materials were not changed by the deposition process nor were new functional groups formed. Scanning electron microscopy confirmed that MAPLE may be used to fabricate thin films of good morphological quality. The activity of gentamicin-doped films against Escherichia coli and Staphylococcus aureus bacteria was demonstrated using disk diffusion and antibacterial drop test. Our studies indicate that deposition of polymer-drug composite thin films prepared by MAPLE is a suitable technique for performing controlled drug delivery. Antimicrobial thin film coatings have several medical applications, including use for indwelling catheters and implanted medical devices.

  5. [Antidotal effects of sulfhydryl compounds on acute poisonings by sodium ammonium dimethyl-2-(propane-1,3-dithiosulfate) monohydrate, nereistoxin and cartap].

    PubMed

    Cao, B J; Chen, Z K; Chi, Z Q

    1990-03-01

    Sodium dimercaptopropanesulphonate (DMPS) and sodium dimercaptosuccinate (DMS) were discovered to be effective antidotes for acute poisoning of insecticides SCD [sodium ammonium dimethyl-2-(propane-1,3-dithiosulfate) monohydrate], nereistoxin (4-N,N-dimethylamino-1,2-dithiolane) and cartap (dihydronereistoxin dicarbamate). In mice, DMPS (250 mg/kg) or DMS (1000 mg/kg) ip 20 min before SCD increased LD50 of ig SCD from 97 to 374 or 251 mg/kg, respectively. The prophylactic effect of DMPS was better than that of DMS. Administration of DMPS prior to cartap increased LD50 of ig cartap from 130 to 375 mg/kg. The therapeutic effect of DMPS was also demonstrated in SCD-poisoned conscious rabbits. DMPS 62.5 mg/kg or DMS 500 mg/kg iv completely antagonized the neuromuscular blockade and respiratory depression caused by SCD, nereistoxin and cartap in anesthetized rabbits. The antagonism of SCD-induced neuromuscular blockade by cysteine (400 mg/kg, iv) was less effective and of shorter duration than that by DMPS and DMS. Dimercaprol 50 mg/kg im showed little effect on SCD-induced paralysis. The antagonistic actions of sulfhydryl compounds on neuromuscular blockade induced by these insecticides probably belong to chemical antagonism.

  6. 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.

  7. 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

    2015-06-05

    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.

  8. Preparation of a novel porous poly (trimethylol propane triacrylate-co-ethylene dimethacrylate) monolithic column for highly efficient HPLC separations of small molecules.

    PubMed

    Bai, Xiaomei; Liu, Haiyan; Wei, Dan; Yang, Gengliang

    2014-02-01

    A novel poly (trimethylol propane triacrylate-co-ethylene dimethacrylate) [poly (TMPTA-co-EDMA)] monolith was prepared by in situ free-radical polymerization in a 50 mm × 4.6mm i.d. stainless steel column and was investigated for high performance liquid chromatography (HPLC). The porous structure of monolith was optimized by changing the conditions of polymerization. The chemical group of the monolithic column was confirmed by a Fourier transform infrared spectroscopy (FT-IR) method and the morphology of column structure was characterized by scanning electron microscopy (SEM). The mechanical strength and permeability were also studied. Finally, a series of low-molecular-weight organic compounds were utilized to evaluate the retention behaviors of the monolithic column. The result demonstrated that the prepared column exhibited an RP-chromatographic behavior and good separation performance. The method reproducibility was obtained by evaluating the run-to-run and column-to-column with relative standard deviations (RSDs) less than 0.7% (n=6) and 2.9% (n=6), respectively, which indicated that prepared monolithic columns had good reproducibility and stability.

  9. 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

    2014-01-03

    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.

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. Ring-polymer molecular dynamics studies on the rate coefficient of the abstraction channel of hydrogen plus ethane, propane, and dimethyl ether

    NASA Astrophysics Data System (ADS)

    Meng, Qingyong; Chen, Jun

    2017-01-01

    To accurately compute the rates of the abstraction channels of hydrogen plus ethane (Et), propane (Pr), and dimethyl ether (DME), ring-polymer molecular dynamics (RPMD) method is used in conjunction with the recently constructed local permutation invariant polynomial neural-networks potential energy surface of the parent H + CH4 system [Q. Meng et al., J. Chem. Phys. 144, 154312 (2016)]. For H + Et, one of the H atoms in CH4 of the parent system is replaced by a methyl group, while for the H + DME reaction, it is replaced by the methoxyl group. For the H + Pr reaction, replacing one of the H atoms in CH4 by an ethyl group, the terminal channel is built, meanwhile the middle channel is considered through replacing two H atoms in CH4 by two methyl groups. Since the potential energy barriers of the title reactions must differ from the H + CH4 barrier, the corrections have to be made by computing the ratio of free-energy barriers between H + CH4 and the title reactions at coupled cluster with a full treatment singles and doubles (where the triples contribution is calculated by perturbation theory, that is, CCSD(T)) level. Comparing the present RPMD rates with the previous theoretical and experimental results, good agreement can be found. Moreover, probable reasons for the deviation between the present RPMD rates and the previous experimental ones are discussed.

  16. Poly[μ-bromido-μ-(2,2-dimethyl­propane-1,3-diyl diisocyanide)-silver(I)]: a powder diffraction study

    PubMed Central

    Al-Ktaifani, Mahmoud; Rukiah, Mwaffak

    2010-01-01

    In the title compound, [AgBr(C7H10N2)]n, adjacent Ag(I) atoms are bridged by bidentate CNCH2C(CH3)2CH2NC ligands via the NC groups, forming [Ag{CNCH2C(CH3)2CH2NC}]n chains with the metal atom in a distorted tetrahedral coordination. The bromide counter-anions cross-link the Ag(I) atoms of the chains, forming a two-dimensional polymeric network {[AgI(CNCH2C(CH3)2CH2NC)]Br}n extend­ing parallel to (010). The polymeric structure is similar to that of the very recently reported Cl−, I− and NO3 − analogues. This gives a strong indication that 2,2-dimethyl­propane-1,3-diyl diisocyanide is a potential ligand for giving polymeric structures on treatment with AgX (X = Cl−, Br−, I− or NO3 −) regardless of the counter-anion used. PMID:21589247

  17. 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.

  18. FTIR and Raman spectra, electronic spectra and normal coordinate analysis of N,N-dimethyl-3-phenyl-3-pyridin-2-yl-propan-1-amine by DFT method.

    PubMed

    Renuga, S; Karthikesan, M; Muthu, S

    2014-06-05

    The Fourier transform infrared (FT-IR) and FT-Raman spectra of N,N-dimethyl-3-phenyl-3-pyridin-2-yl-propan-1-amine have been recorded in the range 4000-500cm(-1) and 4000-50cm(-1) respectively. The complete vibrational assignment and analysis of the fundamental modes of the compound were carried out using the observed FT-IR and FT Raman data. The vibrational frequencies experimentally determined, was compared with the theoretical frequencies computed by DFT gradient calculations (B3LYP method) employing the 6-31+G(d,p) basis set for the optimized geometry of the compound. The geometry and normal modes of vibration obtained from the DFT method are in good agreement with the experimental data. The assignments of the vibrational spectra have been carried out with the help of Normal Coordinate Analysis (NCA) following the Scaled Quantum Mechanical Force Field Methodology (SQMFF). The calculated infrared and Raman spectra of the title compounds were also stimulated utilizing the scaled force fields and the computed dipole derivatives for IR intensities and polarizability derivatives for Raman intensities. The change in electron density (ED) in the σ(*) and π(*) antibonding orbitals and stabilization energies E(2) have been calculated by Natural Bond Orbital (NBO) analysis to give clear evidence of stabilization originating in the hyper conjugation of hydrogen-bonded interaction. The electronic spectrum determined by TD-DFT method is compared with the observed electronic spectrum.

  19. 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.

  20. 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.

  1. Gold(I) chloride adducts of 1,3-bis(di-2-pyridylphosphino)propane: synthesis, structural studies and antitumour activity

    SciTech Connect

    Humphreys, Anthony S.; Filipovska, Aleksandra; Berners-Price, Susan J.; Koutsantonis, George A.; Skelton, Brian W.; White, Allan H.

    2008-06-30

    The novel water soluble bidentate phosphine ligand 1,3-bis(di-2-pyridylphosphino)propane (d2pypp) has been synthesized by a convenient route involving treatment of 2-pyridyllithium with Cl{sub 2}P(CH{sub 2}){sub 3}PCl{sub 2} and isolation in crystalline form as the hydrochloride salt. The synthesis of the precursor Cl{sub 2}P(CH{sub 2}){sub 3}PCl{sub 2} has been optimized by the use of triphosgene as the chlorinating agent. The 2:1 and 1:2 AuCl:d2pypp adducts have been synthesized and characterized by NMR spectroscopy and single crystal X-ray studies, and shown to be of the form (AuCl){sub 2}({mu}-d2pypp-P,P{prime}) and Au(d2pypp-P,P{prime}){sub 2}Cl(-3.75H{sub 2}O), respectively. The latter is more lipophilic than analogous 1:2 adducts of gold(I) chloride with the diphosphine ligands 1,2-bis(di-n-pyridylphosphino)ethane (dnpype) for n = 2, 3 and 4, based on measurement of the n-octanol-water partition coefficient (log P = -0.46). A single crystal structure determination of the 1:2 Au(I) complex of the 3-pyridyl ethane ligand shows it to be of the form [Au(d3pype-P,P{prime}){sub 2}]Cl {center_dot} 5H{sub 2}O. The in vitro cytotoxic activity of [Au(d2pypp){sub 2}]Cl was assessed in human normal and cancer breast cells and selective toxicity to the cancer cells found. The significance of these results to the antitumour properties of chelated 1:2 Au(I) diphosphine complexes is discussed.

  2. Anionic-zwitterionic mixed micelles in micellar electrokinetic chromatography: sodium dodecyl sulfate-N-dodecyl-N,N-dimethylammonium-3-propane-1-sulfonic acid.

    PubMed

    Ahuja, E S; Preston, B P; Foley, J P

    1994-07-15

    A zwitterionic surfactant, N-dodecyl-N,N-dimethylammonium-3-propane-1- sulfonic acid (SB-12), was used in combination with an anionic surfactant, sodium dodecyl sulfate (SDS), to form a novel pseudostationary phase for use in micellar electrokinetic chromatography. This mixed micellar system was characterized in terms of analyte retention, selectivity, efficiency, elution range, and resolution; and compared to results obtained using only SDS. A typically used SDS concentration, 20 mM, was chosen as a reference to which comparisons could be drawn. With 20 mM SDS, the optimum concentration range of 10-20 mM SB-12 provided efficiencies that were 2-4 times greater than with SDS alone, with minimal (< 15%) changes in the elution range and electroosmotic flow. The addition of 40 and 60 mM SB-12 also resulted in efficiencies on average of 600,000-800,000 theoretical plates/m, but at a significant reduction in the elution range and peak capacity. Retention factors (k') for the various neutral analytes increased by 20% with addition of 10 mM SB-12 and by approximately 60% with addition of 40 and 60 mM SB-12, while operating currents remained constant as SB-12 was added. Geometrical isomers p-nitrotoluene and m-nitrotoluene, that co-eluted with 20 mM SDS, were baseline resolved with the addition of 10 mM SB-12; in addition, methylene selectivity was greatest at this composition. No capillary wall interactions or coating effects were observed with the SDS-SB-12 mixed micellar system, in contrast to previously studied anionic-non-ionic mixed micellar system, SDS-Brij 35. Consequently, migration times were very repeatable (< or = 1.2% R.S.D.).

  3. 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.

  4. Pig-a gene mutation and micronucleated reticulocyte induction in rats exposed to tumorigenic doses of the leukemogenic agents chlorambucil, thiotepa, melphalan, and 1,3-propane sultone.

    PubMed

    Dertinger, Stephen D; Phonethepswath, Souk; Avlasevich, Svetlana L; Torous, Dorothea K; Mereness, Jared; Cottom, John; Bemis, Jeffrey C; Macgregor, James T

    2014-05-01

    To evaluate whether blood-based genotoxicity endpoints can provide temporal and dose-response data within the low-dose carcinogenic range that could contribute to carcinogenic mode of action (MoA) assessments, we evaluated the sensitivity of flow cytometry-based micronucleus and Pig-a gene mutation assays at and below tumorigenic dose rate 50 (TD50) levels. The incidence of micronucleated reticulocytes (MN-RET) was used to evaluate chromosomal damage, and the frequency of CD59-negative reticulocytes (RET(CD59-) ) and erythrocytes (RBC(CD59-) ) served as phenotypic reporters of mutation at the X-linked Pig-a gene. Several leukemogenic agents with a presumed genotoxic MoA were studied. Specifically, male Sprague Dawley rats were treated via oral gavage for 28 days with chlorambucil, thiotepa, melphalan, and 1,3-propane sultone at doses corresponding to 0.33x, 1x, and 3x TD50, as well as at the maximum tolerated dose. Frequencies of MN-RET were determined at Days 4 and 29, and RET(CD59-) and RBC(CD59-) data were collected pretreatment as well as Days 15/16, 29, and 56/57. Dose-related increases were observed for each endpoint, and time to maximal effect was consistently: MN-RET < RET(CD59-)  < RBC(CD59-) . For each of the chemicals studied, the genotoxic events occurred long before tumors or preneoplastic lesions would be expected. Furthermore, in the case of Pig-a gene mutation, the responses were observed at or below the TD50 dose for three out of the four chemicals studied. These data illustrate the potential for quantitative blood-based analyses to provide dose-response and temporality information that relates genetic damage to cancer induction.

  5. 1H and 13C NMR assignments for new heterocyclic TAM leuco dyes, (2Z,2'E)-2,2'-(2-phenyl propane-1,3-diylidene) bis(1,3,3-trimethylindoline) derivatives. Part II.

    PubMed

    Keum, Sam-Rok; Roh, Se-Jung; Lee, Min-Hyung; Sauriol, Francoise; Buncel, Erwin

    2008-09-01

    The (1)H and (13)C NMR spectra of the novel heterocyclic Leuco-TAM dyes, (2Z, 2'E)-2,2'-(2-phenyl propane-1,3-diylidene) bis(1,3,3-trimethylindoline) derivatives 1-4 as precursors of triarylmethane (TAM)(+) (Malachite Green FB-analog) dyes were completely assigned by 1D and 2D NMR experiments, including DEPT, COSY, HSQC, HMBC, and NOESY. Especially, the diastereotopic gem-dimethyl protons at the C3 and C3' positions of the FB rings were definitively assigned. The (Z,E) isomers adopt the energetically favored three-bladed propeller conformation in solution.

  6. Synthesis and structure-activity relationships of 2-phenyl-1-[(pyridinyl- and piperidinylmethyl)amino]-3-(1H-1,2,4-triazol-1-yl)propan-2-ols as antifungal agents.

    PubMed

    Giraud, Francis; Guillon, Rémi; Logé, Cédric; Pagniez, Fabrice; Picot, Carine; Le Borgne, Marc; Le Pape, Patrice

    2009-01-15

    Continuous efforts on the synthesis and structure-activity relationships (SARs) studies of modified 1-benzylamino-2-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-2-ols as antifungal agents, allowed identification of new 1-[(pyridinyl- and piperidinylmethyl)amino] derivatives with MIC(80) values ranging from 1410.0 to 23.0ngmL(-1) on Candidaalbicans. These results confirmed both the importance of pi-pi stacking and hydrogen bonding interactions in the active site of CYP51-C. albicans.

  7. Crystallization experiments with the dinuclear chelate ring complex di-μ-chlorido-bis[(η(2)-2-allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κC(1))platinum(II)].

    PubMed

    Nguyen Thi Thanh, Chi; Pham Van, Thong; Le Thi Hong, Hai; Van Meervelt, Luc

    2016-10-01

    Crystallization experiments with the dinuclear chelate ring complex di-μ-chlorido-bis[(η(2)-2-allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κC(1))platinum(II)], [Pt2(C15H19O4)2Cl2], containing a derivative of the natural compound eugenol as ligand, have been performed. Using five different sets of crystallization conditions resulted in four different complexes which can be further used as starting compounds for the synthesis of Pt complexes with promising anticancer activities. In the case of vapour diffusion with the binary chloroform-diethyl ether or methylene chloride-diethyl ether systems, no change of the molecular structure was observed. Using evaporation from acetonitrile (at room temperature), dimethylformamide (DMF, at 313 K) or dimethyl sulfoxide (DMSO, at 313 K), however, resulted in the displacement of a chloride ligand by the solvent, giving, respectively, the mononuclear complexes (acetonitrile-κN)(η(2)-2-allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κC(1))chloridoplatinum(II) monohydrate, [Pt(C15H19O4)Cl(CH3CN)]·H2O, (η(2)-2-allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κC(1))chlorido(dimethylformamide-κO)platinum(II), [Pt(C15H19O4)Cl(C2H7NO)], and (η(2)-2-allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κC(1))chlorido(dimethyl sulfoxide-κS)platinum(II), determined as the analogue {η(2)-2-allyl-4-methoxy-5-[(ethoxycarbonyl)methoxy]phenyl-κC(1)}chlorido(dimethyl sulfoxide-κS)platinum(II), [Pt(C14H17O4)Cl(C2H6OS)]. The crystal structures confirm that acetonitrile interacts with the Pt(II) atom via its N atom, while for DMSO, the S atom is the coordinating atom. For the replacement, the longest of the two Pt-Cl bonds is cleaved, leading to a cis position of the solvent ligand with respect to the allyl group. The crystal packing of the complexes is characterized by dimer formation via C-H...O and C-H...π interactions, but no π-π interactions are observed despite the presence of

  8. 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

  9. 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

  10. Crystal structure of bis­[trans-di­chlorido­bis(propane-1,3-di­amine-κ2 N,N′)chromium(III)] dichromate from synchrotron data

    PubMed Central

    Moon, Dohyun; Ryoo, Keon Sang; Choi, Jong-Ha

    2016-01-01

    The structure of the title compound, [CrCl2(tn)2]2[Cr2O7] (tn = propane-1,3-di­amine; C3H10N2), has been determined from synchrotron data. The asymmetric unit contains one CrIII complex cation and half a [Cr2O7]2− anion. In the complex cation, the CrIII ion is coordinated by the four N atoms of two propane-1,3-di­amine (tn) ligands in the equatorial plane and by two Cl atoms in a trans configuration, displaying a distorted octa­hedral coordination sphere. The two six-membered rings in the complex cation have an anti chair–chair conformation with respect to each other. The mean Cr—N(tn) and Cr—Cl bond lengths are 2.09 (1) and 2.320 (2) Å, respectively. The slightly bent dichromate anion is disordered over two sets of sites (occupancy ratio = 0.7:0.3) and has a staggered conformation. The crystal structure is stabilized by inter­molecular hydrogen bonds involving the NH2 groups of the tn ligands as donors and the O atoms of the [Cr2O7]2− anion and chlorido ligands as acceptors. PMID:27920920

  11. Crystal structure of di-chlorido-{2-methyl-2-[(pyridin-2-ylmeth-yl)amino]-propan-1-ol-κ(3)N,N',O}copper(II) from synchrotron data.

    PubMed

    Shin, Jong Won; Lee, Dong Won; Kim, Dae-Woong; Moon, Dohyun

    2016-10-01

    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-ylmeth-yl)amino]-propan-1-ol (mpmapOH) ligand, including pyridine, amine and hy-droxy groups, was synthesized by the reaction of 2-amino-2-methyl-propan-1-ol with pyridine-2-carbaldehyde and was characterized by NMR spectroscopy. In its Cu(II) 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 Cu(II) 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. Inter-molecular hydrogen bonds (N-H⋯Cl and O-H⋯Cl) and face-to-face π-π inter-actions stabilize the mol-ecular structure and give rise to a two-dimensional supra-molecular structure extending parallel to (101).

  12. 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

  13. 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

    2013-10-02

    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

  14. Crystal structures of two mononuclear complexes of terbium(III) nitrate with the tripodal alcohol 1,1,1-tris­(hy­droxy­meth­yl)propane

    PubMed Central

    Gregório, Thaiane; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.

    2017-01-01

    Two new mononuclear cationic complexes in which the TbIII ion is bis-chelated by the tripodal alcohol 1,1,1-tris­(hy­droxy­meth­yl)propane (H3 L Et, C6H14O3) were prepared from Tb(NO3)3·5H2O and had their crystal and mol­ecular structures solved by single-crystal X-ray diffraction analysis after data collection at 100 K. Both products were isolated in reasonable yields from the same reaction mixture by using different crystallization conditions. The higher-symmetry complex dinitratobis[1,1,1-tris­(hy­droxy­meth­yl)propane]­terbium(III) nitrate di­meth­oxy­ethane hemisolvate, [Tb(NO3)2(H3 L Et)2]NO3·0.5C4H10O2, 1, in which the lanthanide ion is 10-coordinate and adopts an s-bicapped square-anti­prismatic coordination geometry, contains two bidentate nitrate ions bound to the metal atom; another nitrate ion functions as a counter-ion and a half-mol­ecule of di­meth­oxy­ethane (completed by a crystallographic twofold rotation axis) is also present. In product aqua­nitratobis[1,1,1-tris­(hy­droxy­meth­yl)propane]­terbium(III) dinitrate, [Tb(NO3)(H3 L Et)2(H2O)](NO3)2, 2, one bidentate nitrate ion and one water mol­ecule are bound to the nine-coordinate terbium(III) centre, while two free nitrate ions contribute to charge balance outside the tricapped trigonal-prismatic coordination polyhedron. No free water mol­ecule was found in either of the crystal structures and, only in the case of 1, di­meth­oxy­ethane acts as a crystallizing solvent. In both mol­ecular structures, the two tripodal ligands are bent to one side of the coordination sphere, leaving room for the anionic and water ligands. In complex 2, the methyl group of one of the H3 L Et ligands is disordered over two alternative orientations. Strong hydrogen bonds, both intra- and inter­molecular, are found in the crystal structures due to the number of different donor and acceptor groups present. PMID:28217359

  15. First high resolution analysis of the ν21 band of propane CH3CH2CH3 at 921.382 cm-1: Evidence of large amplitude tunneling effects

    NASA Astrophysics Data System (ADS)

    Perrin, A.; Kwabia-Tchana, F.; Flaud, J. M.; Manceron, L.; Demaison, J.; Vogt, N.; Groner, P.; Lafferty, W. J.

    2015-09-01

    A high resolution (0.0015 cm-1) IR spectrum of propane, C3H8, 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) at 921.382 cm-1 reveals that the rotational energy levels of 211 are split by interactions with the internal rotations of the methyl groups. The AA, EE and AE + EA components of this A-type band have their band centers at 921.3724(38), 921.3821(33) and 921.3913(44) cm-1, respectively. These torsional splittings most probably are due to anharmonic and/or Coriolis resonance couplings 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.

  16. 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

  17. SERDP and ESTCP Workshop on Long Term Management of Contaminated Groundwater Sites

    DTIC Science & Technology

    2013-11-01

    compound used primarily as a biocide in antifouling paints ); ethylene dibromide (EDB, which is used as a scavenger for lead in anti-knock gasoline...hydrocarbons (oxy-PAHs); and 1-bromopropane (which is used as a solvent for cleaning metal surfaces and adhesives , and has also been deployed as a...ER- 200829) ● Field Demonstration of Propane Biosparging for In Situ Remediation of N-Nitrosodimethylamine (NDMA) in Groundwater (ER-200828

  18. 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.

  19. Novel dimeric leuco-TAM dyes, 1,4-bis{(1E,3Z)-1,3-bis(1,3,3-trimethylindolin-2-ylidene)propan-2-yl}benzene derivatives: Structure and spectroscopic characterization

    NASA Astrophysics Data System (ADS)

    Keum, Sam-Rok; Ma, So-Young; Kim, Do-Kyung; Lim, Hyun-Woo; Roh, Se-Jung

    2012-04-01

    Novel dimeric leuco-triarylmethane (LTAM) dyes, 1,4-bis{(1E,3Z)-1,3-bis(1,3,3-trimethylindolin-2-ylidene)propan-2-yl}benzene derivatives, as precursors of dimeric TAM+ and TAM++ dyes, were synthesized and characterized by 1D and 2D NMR experiments including DEPT, COSY, HSQC, HMBC and NOESY. Judging from the 1H NMR analysis, the dimeric LTAM molecules were suggested to have a dual-propeller shaped structure. For the prepared dimeric leuco-TAM dyes, the ZE/EZ isomers were formed as the sole products from the reaction of 2-3 M excess Fischer base and terephthalaldehyde in absolute ethanol. The ZE/EZ isomers were equilibrated with other diastereomers (EE/EE and ZZ/ZZ) in organic solvents. UV-Vis spectroscopy of dimeric TAM++ dyes in organic solvents show an absorption band at >700 nm in the near-infrared (NIR) region. Formation of the dimeric TAM++ molecules was further confirmed by comparison of CV diagrams for monomeric TAM+ and dimeric TAM++ molecules.

  20. 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.

  1. Vibrational spectroscopy (FT-IR and Laser-Raman) investigation, and computational (M06-2X and B3LYP) analysis on the structure of 4-(3-fluorophenyl)-1-(propan-2-ylidene)-thiosemicarbazone.

    PubMed

    Sert, Yusuf; Miroslaw, Barbara; Çırak, Çağrı; Doğan, Hatice; Szulczyk, Daniel; Struga, Marta

    2014-07-15

    In this study, the experimental and theoretical vibrational spectral analysis of 4-(3-fluorophenyl)-1-(propan-2-ylidene)-thiosemicarbazone have been carried out. The experimental FT-IR (4000-400 cm(-1)) and Laser-Raman spectra (4000-100 cm(-1)) have been recorded for the solid state samples. The theoretical vibrational frequencies and the optimized geometric parameters (bond lengths and angles) have been calculated for gas phase using density functional theory (DFT/B3LYP: Becke, 3-parameter, Lee-Yang-Parr) and M06-2X (the highly parametrized, empirical exchange correlation function) quantum chemical methods with 6-311++G(d,p) basis set. The diversity in molecular geometry of fluorophenyl substituted thiosemicarbazones has been discussed based on the X-ray crystal structure reports and theoretical calculation results from the literature. The assignments of the vibrational frequencies have been done on the basis of potential energy distribution (PED) analysis by using VEDA4 software. A good correlation was found between the computed and experimental geometric and vibrational data. In addition, the highest occupied (HOMO) and lowest unoccupied (LUMO) molecular orbital energy levels and other related molecular energy values of the compound have been determined using the same level of theoretical calculations.

  2. 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.

  3. Oxidative dehydrogenation of propane on Ni{sub x}Mg{sub 1{minus}x}Al{sub 2}O{sub 4} and NiCr{sub 2}O{sub 4} spinels

    SciTech Connect

    Sloczynski, J.; Ziolkowski, J.; Grzybowska, B.; Grabowski, R.; Jachewicz, D.; Wcislo, K.; Gengembre, L.

    1999-10-25

    The Ni{sub x}Mg{sub 1{minus}x}Al{sub 2}O{sub 4}, NiCr{sub 2}O{sub 4}, and MgCr{sub 2}O{sub 4} spinels have been synthesized, characterized with the XRD and XPS methods, and tested in the oxidative dehydrogenation of propane. The crystallochemical model of solid surfaces, CMSS, has been used to calculate the oxygen cation's bond energies in the spinels. For the NiMgAl spinels the activity and selectivity to propene increase with the increase in the Ni content. The Ni ions surrounded by oxygen in the spinel structure are proposed as active centers for oxidative dehydrogenation to propene. The NiCr spinel is more active but less selective than the NiMgAl spinels; the difference in catalytic behavior has been ascribed to different coordination of Ni ions in the two groups of the spinels and to the lower oxygen cation's bond energy in the NiCr spinel.

  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. Alternative hybrid electrolytes based on a series of bis(trialkoxysilyl)alkanes and 3-(trihydroxysilyl)-1-propane sulfonic acid applied in gas diffusion electrodes of proton exchange membrane fuel cells

    NASA Astrophysics Data System (ADS)

    Lin, C. W.; Chung, L. C.; Veerapur, R. S.; Yang, F. C.

    This study demonstrates a method for improving the electrolyte distribution in catalyst layers and enhancing the utilization of catalyst existing in primary pores. Bis(trialkoxysilyl)alkanes (BTAS-alkanes) and 3-(trihydroxysilyl)-1-propane sulfonic acid (THS)Pro-SO 3H) precursors have been used to prepare a series of hybrid electrolytes with various organic segment lengths of BTAS-alkanes and ratios of organic moiety and sulfonic acid groups. Investigations of BTAS-alkanes series includes bis(triethoxysilyl)octane (BTES-Oct), bis(trimethoxysilyl)hexane (BTMS-Hex), and bis(triethoxysilyl)ethane (BTES-Eth). Small angle X-ray spectroscopy (SAXS) identifies morphological phase separation in BTES-Oct and BTMS-Hex hybrid electrolytes. The results of mercury porosimetry and BET porosimetry show that the hybrid electrolytes have better capability than Nafion ionomer to penetrate into primary pores of the catalyst layers. Electrochemical measurements including electrode polarization, electrochemical active surface (EAS) and electrochemical impedance spectroscopy (EIS) are discussed. The BTES-Oct or BTMS-Hex hybrid electrolytes with higher ratio of organic moiety and sulfonic acid group have achieved better electrode performance. Oxygen benefit current (OBC) results indicate that higher ratios of BTES-Oct/(THS)Pro-SO 3H provides higher hydrophobicity with better gas transport properties. However, the hybrid electrodes exhibit lower cathode performance than Nafion ®-based electrodes due to excessive electrolyte incorporated in the catalyst layer.

  6. 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.

  7. Molecular orbital studies (hardness, chemical potential, electronegativity and electrophilicity), vibrational spectroscopic investigation and normal coordinate analysis of 5-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,3-diol.

    PubMed

    Muthu, S; Renuga, S

    2014-01-24

    FT-IR and FT-Raman spectra of 5-{1-hydroxy-2-[(propan-2-yl) amino] ethyl} benzene-1,3-diol (abbrevi- 54 ated as HPAEBD) were recorded in the region 4000-450 cm(-1) and 4000-100 cm(-1) respectively. The structure of the molecule was optimized and the structural characteristics were determined by density functional theory (B3LYP) and HF method with 6-31 G(d,p) as basis set. The theoretical wave numbers were scaled and compared with experimental FT-IR and FT-Raman spectra. A detailed interpretation of the vibrational spectra of this compound has been made on the basis of the calculated Potential energy distribution (PED). Stability of the molecule arising from hyperconjugation and charge delocalization is confirmed by the natural bond orbital analysis (NBO). The results show that electron density (ED) in the σ antibonding orbitals and E (2) energies confirm the occurrence of intra molecular charge transfer (ICT) within the molecule. The molecule orbital contributions were studied by using the total (TDOS), sum of α and β electron (αβDOS) density of States. Mulliken population analysis of atomic charges is also calculated. The calculated HOMO and LUMO energy gap shows that charge transfer occurs within the molecule. The electron density-based local reactivity descriptors such as Fukui functions were calculated to explain the chemical selectivity or reactivity site in this compound. On the basis of vibrational analyses, the thermodynamic properties of title compound at different temperatures have been calculated.

  8. Quantification of 1-(propan-2-ylamino)-4-propoxy-9H-thioxanthen-9-one (TX5), a newly synthetized P-glycoprotein inducer/activator, in biological samples: method development and validation.

    PubMed

    Ferreira, Ana Filipa; Ponte, Filipa; Silva, Renata; Rocha-Pereira, Carolina; Sousa, Emília; Pinto, Madalena; Bastos, Maria de Lourdes; Remião, Fernando

    2017-02-01

    A simple, rapid and economical method was developed and validated for the analysis and quantification of 1-(propan-2-ylamino)-4-propoxy-9H-thioxanthen-9-one (TX5), a P-glycoprotein inducer/activator, in biological samples, using reverse-phase high-performance liquid chromatography (HPLC). A C18 column and a mobile phase composed of methanol-water (90/10, v/v) with 1% (v/v) triethylamine, at a flow rate of 1 mL/min, were used for chromatographic separation. TX5 standards (0.5-150 μm) were prepared in human serum. Methanol was used for TX5 extraction and serum protein precipitation. After filtration, samples were injected into the HPLC apparatus and TX5 was quantified by a conventional UV detector at 255 nm. The TX5 retention time was 13 min in this isocratic system. The method was validated according to ICH guidelines for specificity/selectivity, linearity, accuracy, precision, limits of detection and quantification (LOD and LOQ) and recovery. The method was proved to be selective, as there were no interferences of endogenous compounds with the same retention time of TX5. Also, the developed method was linear (r(2)  ≥ 0.99) for TX5 concentrations between 0.5 and 150 μm and the LOD and LOQ were 0.08 and 0.23 μm, respectively. The results indicated that the reported method could meet the requirements for TX5 analysis in the trace amounts expected to be present in biological samples.

  9. 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.

  10. 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...

  11. A novel 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanal oxime compound is a potent Transient Receptor Potential Ankyrin 1 and Vanilloid 1 (TRPA1 and V1) receptor antagonist.

    PubMed

    Payrits, M; Sághy, É; Mátyus, P; Czompa, A; Ludmerczki, R; Deme, R; Sándor, Z; Helyes, Zs; Szőke, É

    2016-06-02

    Transient Receptor Potential Ankyrin 1 and Vanilloid 1 (TRPA1, TRPV1) ion channels expressed on nociceptive primary sensory neurons are important regulators of pain and inflammation. TRPA1 is activated by several inflammatory mediators including formaldehyde and methylglyoxal that are products of the semicarbazide-sensitive amine-oxidase enzyme (SSAO). SZV-1287 is a new 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanal oxime SSAO inhibitor, its chemical structure is similar to other oxime derivatives described as TRPA1 antagonists. Therefore, we investigated its effects on TRPA1 and TRPV1 receptor activation on the cell bodies and peripheral terminals of primary sensory neurons and TRPA1 or TRPV1 receptor-expressing cell lines. Calcium influx in response to the TRPA1 agonist allyl-isothiocyanate (AITC) (200 μM) and the TRPV1 stimulator capsaicin (330 nM) in rat trigeminal neurons or TRPA1 and TRPV1 receptor-expressing cell lines was measured by microfluorimetry or radioactive (45)Ca(2+) uptake experiments. Calcitonin gene-related peptide (CGRP) release as the indicator of 100 μM AITC - or 100 nM capsaicin-induced peripheral sensory nerve terminal activation was measured by radioimmunoassay. SZV-1287 (100, 500 and 1000 nM) exerted a concentration-dependent significant inhibition on both AITC- and capsaicin-evoked calcium influx in trigeminal neurons and TRPA1 or TRPV1 receptor-expressing cell lines. It also significantly inhibited the TRPA1, but not the TRPV1 activation-induced CGRP release from the peripheral sensory nerve endings in a concentration-dependent manner. In contrast, the reference SSAO inhibitor LJP 1207 with a different structure had no effect on TRPA1 or TRPV1 activation in either model system. This is the first evidence that our novel oxime compound SZV-1287 originally developed as a SSAO inhibitor has a potent dual antagonistic action on TRPA1 and TRPV1 ion channels on primary sensory neurons.

  12. Synthesis and molecular modeling of new 1-aryl-3-[4-arylpiperazin-1-yl]-1-propane derivatives with high affinity at the serotonin transporter and at 5-HT(1A) receptors.

    PubMed

    Orús, Lara; Pérez-Silanes, Silvia; Oficialdegui, Ana-M; Martínez-Esparza, Javier; Del Castillo, Juan-C; Mourelle, Marisa; Langer, Thierry; Guccione, Salvatore; Donzella, Giuseppina; Krovat, Eva M; Poptodorov, Konstantin; Lasheras, Berta; Ballaz, Santiago; Hervías, Isabel; Tordera, Rosa; Del Río, Joaquín; Monge, Antonio

    2002-09-12

    It has been proposed that 5-HT(1A) receptor antagonists augment the antidepressant efficacy of selective serotonin (5-HT) reuptake inhibitors. In a search toward new and efficient antidepressants, 1-(aryl)-3-[4-arylpiperazin-1-yl]-1-propane molecular hybrids were designed, synthesized, and evaluated for 5-HT reuptake inhibition and 5-HT(1A) receptor affinity. The design was based in coupling structural moieties related to inhibition of serotonin reuptake, such as benzo[b]thiophene derivatives to arylpiperazines, typical 5-HT(1A) receptor ligands. In binding studies, several compounds showed affinity at the 5-HT transporter and at 5-HT(1A) receptors. Molecular modeling studies predicted the pharmacophore elements required for high affinity binding and the features that enable to discriminate between agonist, partial agonist, or antagonist action at 5-HT(1A) receptors and 5-HT transporter inhibition. Solvent interactions in desolvation prior to the binding step along with enthalpy and enthropy compensations might be responsible to explain agonist, partial agonist, and antagonist character. Hydrogen-bonding capability seems to be important to break hydrogen interhelical hydrogen bonds or alternatively to form other bonds upon ligand binding. Partial agonists and antagonists are unable to do this as the full agonist, which interacts closely by long-range forces or directly. The compounds showing the higher affinity at both the 5-HT transporter (K(i) < 50 nM) and the 5-HT(1A) receptors (K(i) < 20 nM) were further explored for their ability to stimulate [(35)S]GTPgammaS binding or to antagonize 8-hydroxy-2-di-n-propylamino-tetralin (8-OH-DPAT)-stimulated [(35)]GTPgammaS binding to rat hippocampal membranes, an index of agonist/antagonist action at 5-HT(1A) receptors, respectively. Compound 8g exhibited agonist activity (EC(50) = 30 nM) in this assay, whereas compounds 7g and 8h,i behaved as weak partial agonists and 7h-j and 8j,l antagonized the R(+)-8-OH

  13. Methane and propane micro-inclusions in olivine in titanoclinohumite-bearing dunites from the Sanbagawa high-P metamorphic belt, Japan: Hydrocarbon activity in a subduction zone and Ti mobility

    NASA Astrophysics Data System (ADS)

    Arai, Shoji; Ishimaru, Satoko; Mizukami, Tomoyuki

    2012-11-01

    Micro-inclusions of methane and propane were examined in olivine and titanoclinohumite in dunite from Fujiwara, Sanbagawa high-P/T metamorphic belt, Japan, in order to understand the behavior of hydrocarbons in the subduction zone and mantle wedge. In the Fujiwara dunite, olivines coexist with magnetite and exhibit a wide range of chemical compositions (Fo88-96 and 0.2-0.6 wt% NiO), possibly indicating a deserpentinization origin for the dunite. The primary chromian spinel shows an intermediate Cr/(Cr+Al) atomic ratio, 0.5-0.6, and 1-3 wt% TiO2, and are enclosed by its alteration phases (ferritechromite and magnetite) that contain less than 0.8 wt% TiO2. Titanoclinohumite is frequently accompanied with the altered spinels, suggesting its Ti was provided by spinel alteration. Thin (<1 cm) titanoclinohumite veinlets are commonly found, indicating Ti was mobile during the metamorphic formation of the Fujiwara meta-dunite. Hydrocarbons are usually associated with serpentine and brucite, almost free of magnetite, in individual micro-inclusions, suggesting initial entrapment of hydrocarbon-rich aqueous fluids and subsequent reaction only between their water component and the wall olivine. The primary dunite of Fujiwara, originally formed as a cumulate from intra-plate magma, and was serpentinized and brecciated to contain carbonaceous matter in the matrix part before incorporation in the subduction zone. The hydrocarbons possibly formed with maturation of the carbonaceous matter in the process of subduction. The continuously formed hydrocarbons mobilized Ti from chromian spinel to leave low-Ti ferritechromite and magnetite in the Fujiwara dunite, and finally stabilized as titanoclinohumite and other Ti-rich minerals during deserpentinization at high pressures. The titanoclinohumite veinlet formation suggests the Ti mobility, although in a short distance in this specific case. Ti is possibly mobile within the mantle wedge if hydrocarbons are available from the slab, but

  14. AMTEC Generator: Phase 1 Propane System

    DTIC Science & Technology

    2007-11-02

    and recuperator Ejector Condenser Feedthrough Air supply ExhaustFan Primary Heat Removal Figure 16. Layout of Complete Thermal System, Including the...in-diffusion from the incompletely burned fuel and will generally incorporate getters in the condenser region to absorb and hold gasses such as...mixed with the condenser cooling gases and exhausted from the system. An aerogel insulation package is wrapped around the burner and recuperator to

  15. 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:

  16. 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.

  17. 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.

    PubMed

    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.

  18. 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.

  19. 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.

  20. Crystal structure of bis­(bis­{μ3-3-methyl-3-[(4-nitro-2-oxido­benzyl­idene)amino]­propane-1,3-diolato}tris­[chlorido­(dimethyl sulfoxide)­iron(III)]) dimethyl sulfoxide hepta­solvate dihydrate

    PubMed Central

    Chygorin, Eduard; Smal, Yuri; Omelchenko, Irina V.

    2016-01-01

    The title compound, [Fe3(C11H11N2O5)2Cl3(C2H6OS)3]2·7C2H6OS·2H2O, was isolated accidentally from an Fe0–NiCl2·6H2O–H3 L–TEA–DMSO system [where H3 L is the product of the condensation between p-nitro­salicyl­aldehyde and 2-amino-2-methyl­propane-1,3-diol and dimethyl sulfoxide (DMSO), and TEA is triethylamine]. The structure is based on a trinuclear {Fe3(μ-O)4} core, with an angular arrangement of the FeIII ions that can be explained by the geometrical restrictions of two bulky ligands, each coordinating to all of the metal cations. PMID:27980847

  1. 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

  2. Comparison of the depot effect and immunogenicity of liposomes based on dimethyldioctadecylammonium (DDA), 3β-[N-(N',N'-Dimethylaminoethane)carbomyl] cholesterol (DC-Chol), and 1,2-Dioleoyl-3-trimethylammonium propane (DOTAP): prolonged liposome retention mediates stronger Th1 responses.

    PubMed

    Henriksen-Lacey, Malou; Christensen, Dennis; Bramwell, Vincent W; Lindenstrøm, Thomas; Agger, Else Marie; Andersen, Peter; Perrie, Yvonne

    2011-02-07

    The immunostimulatory capacities of cationic liposomes are well-documented and are attributed both to inherent immunogenicity of the cationic lipid and more physical capacities such as the formation of antigen depots and antigen delivery. Very few studies have however been conducted comparing the immunostimulatory capacities of different cationic lipids. In the present study we therefore chose to investigate three of the most well-known cationic liposome-forming lipids as potential adjuvants for protein subunit vaccines. The ability of 3β-[N-(N',N'-dimethylaminoethane)carbomyl] cholesterol (DC-Chol), 1,2-dioleoyl-3-trimethylammonium propane (DOTAP), and dimethyldioctadecylammonium (DDA) liposomes incorporating immunomodulating trehalose dibehenate (TDB) to form an antigen depot at the site of injection (SOI) and to induce immunological recall responses against coadministered tuberculosis vaccine antigen Ag85B-ESAT-6 are reported. Furthermore, physical characterization of the liposomes is presented. Our results suggest that liposome composition plays an important role in vaccine retention at the SOI and the ability to enable the immune system to induce a vaccine specific recall response. While all three cationic liposomes facilitated increased antigen presentation by antigen presenting cells, the monocyte infiltration to the SOI and the production of IFN-γ upon antigen recall was markedly higher for DDA and DC-Chol based liposomes which exhibited a longer retention profile at the SOI. A long-term retention and slow release of liposome and vaccine antigen from the injection site hence appears to favor a stronger Th1 immune response.

  3. 3,3'-Di-n-propyl-1,1'-[p-phenyl-enebis(methyl-ene)]diimidazolium dibromide.

    PubMed

    Haque, Rosenani A; Nasri, S Fatimah; Hemamalini, Madhukar; Fun, Hoong-Kun

    2011-08-01

    The asymmetric unit of the title compound, C(20)H(28)N(4) (2+)·2Br(-), consists of half a 3,3'-di-n-propyl-1,1'-[p-phenyl-enenis(methyl-ene)]diimidazolium cation and a bromide anion. The cation is located on an inversion center and adopts an ⋯AAA⋯ trans conformation. In the crystal, the cation is linked to the anions via weak C-H⋯Br hydrogen bonds.

  4. 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...

  5. Bis­{(E)-3-[2-(hy­droxy­imino)­propan­amido]-2,2-dimethyl­propan-1-aminium} bis[μ-(E)-N-(3-amino-2,2-dimethyl­prop­yl)-2-(hy­droxy­imino)­propanamido­(2−)]bis­{[(E)-N-(3-amino-2,2-dimethyl­prop­yl)-2-(hy­droxy­imino)­propanamide]­copper(II)} bis­((E)-{3-[2-(hy­droxy­imino)­propanamido]-2,2-dimethyl­prop­yl}carbamate) acetonitrile disolvate

    PubMed Central

    Buvailo, Andrii I.; Pavlishchuk, Anna V.; Penkova, Larysa V.; Kotova, Natalia V.; Haukka, Matti

    2012-01-01

    The reaction between copper(II) nitrate and (E)-N-(3-amino-2,2-dimethyl­prop­yl)-2-(hy­droxy­imino)­propanamide led to the formation of the dinuclear centrosymmetric copper(II) title complex, (C8H18N3O2)2[Cu2(C8H15N3O2)2(C8H17N3O2)2](C9H16N3O4)2·2CH3CN, in which an inversion center is located at the midpoint of the Cu2 unit in the center of the neutral [Cu2(C8H15N3O2)2(C8H17N3O2)2] complex fragment. The Cu2+ ions are connected by two N—O bridging groups [Cu⋯Cu separation = 4.0608 (5) Å] while the CuII ions are five-coordinated in a square-pyramidal N4O coordination environment. The complex mol­ecule co-crystallizes with two mol­ecules of acetonitrile, two mol­ecules of the protonated ligand (E)-3-[2-(hy­droxy­imino)­propanamido]-2,2-dimethyl­propan-1-aminium and two negatively charged (E)-{3-[2-(hy­droxy­imino)­propanamido]-2,2-dimethyl­prop­yl}carbamate anions, which were probably formed as a result of condensation between (E)-N-(3-amino-2,2-dimethyl­prop­yl)-2-(hy­droxy­imino)­propanamide and hydro­gencarbonate anions. In the crystal, the complex fragment [Cu2(C8H15N3O2)2(C8H17N3O2)2] and the ion pair C8H18N3O2 +.C9H16N3O4 − are connected via an extended system of hydrogen bonds. PMID:23468704

  6. Quantitative determination of 2-amino-2-(2-(4'-(2-propyloxazol-4-yl)-[1,1'-biphenyl]-4-yl)ethyl)propane-1,3-diol and its active phosphorylated metabolite in rat blood by LC-MS/MS and application to PK/PD analysis.

    PubMed

    Zhao, Manman; Mi, Jiaqi; Li, Dan; Liu, Xin; Yang, Shuang; Wang, Baolian; Sheng, Li; Wang, Xiaojian; Jin, Jing; Hu, Jinping; Li, Yan

    2015-09-01

    A sensitive and specific LC-MS/MS method was developed and validated for simultaneous determination of 2-amino-2-(2-(4'-(2-propyloxazol-4-yl)-[1,1'-biphenyl]-4-yl)ethyl)propane-1,3-diol (SYL930) and its active phosphate metabolite (SYL930-P) in rat blood using SYL927, an analogue of SYL930 as the internal standard. Blood samples were prepared by a simple protein precipitation with acetonitrile. The chromatographic separation was performed on a ZorbaxSB-C18 column (3.5 μm, 2.1 × 100 mm) with a gradient mobile phase of methanol/water containing 0.1 % formic acid (v/v) at a flow rate of 0.2 mL/min. The detection was carried out on a triple quadrupole tandem mass spectrometer equipped with electrospray ionization (ESI) in multiple reactions monitoring mode (MRM). The monitored transitions were 381.2 → 364.2 for SYL930, 461.2 → 334.2 for SYL930-P, and 367.1 → 350.4 for the internal standard, respectively. Good linearity was obtained for the analytes over the range of 0.2-100 ng/mL for SYL930 and 0.5-100 ng/mL for SYL930-P. The lower limits of quantitation (LLOQs) for SYL930 and SYL930-P were 0.2 and 0.5 ng/mL, respectively. The intra-day and inter-day precisions (RSD, %) of analytes were within 9.87 %, and the accuracy (RE, %) ranged from -7.04 to 13.15 %. The mean recoveries for two compounds in rat blood were 87.9-109 %. The analytes were proved to be stable during all sample storage, preparation, and analytic procedures. The validated method was successfully applied to pharmacokinetic and PK/PD studies of SYL930 and SYL930-P in rats after oral administration of SYL930. Graphical Abstract Quantitative determination of SYL930 and its active phosphorylated metabolite in rat blood by LCMS/MS and application to PK/PD analysis.

  7. 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.

  8. 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.

  9. 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...

  10. The influence of antidotal treatment of low-level tabun exposure on cognitive functions in rats using a water maze.

    PubMed

    Kassa, J; Kunesova, G

    2006-01-01

    In this study, the influence of antidotal treatment of tabun poisoning on cognitive function, in the case of low-level tabun exposure, was studied. The impairment of cognitive function was evaluated by the measurement of spatial learning and memory in rats poisoned with a sublethal dose of tabun and treated with atropine alone or in combination with newly developed oximes {K027 [1-(4-hydroxyiminomethyl- pyridinium)-3-(4-carbamoylpyridinium) propane dibromide] and K048 [1-(4-hydroxyimino- methylpyridinium)-3-(4-carbamoylpyridinium) butane dibromide]} or currently available oxime (trimedoxime), using the Morris water maze. While atropine alone caused an impairment of studied cognitive functions, the addition of an oxime to atropine contributes to the improvement of cognitive performance of treated tabun-poisoned rats regardless of the type of oxime. The differences in the ameliorative effects of oximes on atropine-induced mnemonic deficits were not significant. Therefore, each low-level nerve agent exposure should be treated by complex antidotal treatment consisting of anticholinergic drug and oxime.

  11. 1,1′-[(1,3-Dihydroxypropane-2,2-diyl)dimethylene]dipyridinium bis­(hexa­fluoro­phosphate)

    PubMed Central

    Yuan, Ai-lin; Zheng, Chun-ling; Zhuang, Ling-hua; Wang, Chang-sheng; Wang, Guo-wei

    2011-01-01

    The title compound, C15H20N2O2 2+·2PF6 −, was prepared by anion exchange of two bromide ions in the ionic liquid 2,2′-bis-(pyridinium-1-ylmeth­yl)-propane-1,3-diol dibromide with potassium hexa­fluoro­phosphate. The two pyridine rings are planar (r.m.s. deviations = 0.008 and 0.00440 Å) and make a dihedral angle of 44.0 (2)°. Intermolecular O—H⋯F and C—H⋯F interactions occur. The four F atoms in each anion were refined as disordered over two sets of sites with an occupancy ration of 0.700 (19):0.300 (19). PMID:21754422

  12. 1,1'-[(1,3-Dihydroxypropane-2,2-diyl)dimethylene]dipyridinium bis-(hexa-fluoro-phosphate).

    PubMed

    Yuan, Ai-Lin; Zheng, Chun-Ling; Zhuang, Ling-Hua; Wang, Chang-Sheng; Wang, Guo-Wei

    2011-05-01

    The title compound, C(15)H(20)N(2)O(2) (2+)·2PF(6) (-), was prepared by anion exchange of two bromide ions in the ionic liquid 2,2'-bis-(pyridinium-1-ylmeth-yl)-propane-1,3-diol dibromide with potassium hexa-fluoro-phosphate. The two pyridine rings are planar (r.m.s. deviations = 0.008 and 0.00440 Å) and make a dihedral angle of 44.0 (2)°. Intermolecular O-H⋯F and C-H⋯F interactions occur. The four F atoms in each anion were refined as disordered over two sets of sites with an occupancy ration of 0.700 (19):0.300 (19).

  13. An acridine derivative, [4,5-bis{(N-carboxy methyl imidazolium)methyl}acridine] dibromide, shows anti-TDP-43 aggregation effect in ALS disease models

    PubMed Central

    Prasad, Archana; Raju, Gembali; Sivalingam, Vishwanath; Girdhar, Amandeep; Verma, Meenakshi; Vats, Abhishek; Taneja, Vibha; Prabusankar, Ganesan; Patel, Basant K.

    2016-01-01

    Amyotrophic lateral sclerosis (ALS) is a fatal neurodegenerative disease associated with aggregation of TAR DNA-binding protein-43 (TDP-43) in neuronal cells and manifests as motor neuron dysfunction & muscle atrophy. The carboxyl-terminal prion-like domain of TDP-43 can aggregate in vitro into toxic β-sheet rich amyloid-like structures. So far, treatment options for ALS are very limited and Riluzole, which targets glutamate receptors, is the only but highly ineffective drug. Therefore, great interest exists in developing molecules for ALS treatment. Here, we have examined certain derivatives of acridine containing same side chains at position 4 & 5, for inhibitory potential against TDP-43 aggregation. Among several acridine derivatives examined, AIM4, which contains polar carboxyl groups in the side arms, significantly reduces TDP-43-YFP aggregation in the powerful yeast model cell and also abolishes in vitro amyloid-like aggregation of carboxyl terminal domain of TDP-43, as observed by AFM imaging. Thus, AIM4 can be a lead molecule potentiating further therapeutic research for ALS. PMID:28000730

  14. In Situ Selected Area Doping of GaAs by Molecular Beam Epitaxy.

    DTIC Science & Technology

    1985-07-01

    several Sn-containing molecules (tetramethyltin, tetrabutyltin, dibutyltin dibromide and stannic chloride) as gas phase sources of Sn for use in molecular... Dibutyltin Dibromide A brief screening experiment with DBTB was performed. DBTB adsorbed, but similar to the above organometallic compounds, it...surfaces from a variety of tin containing compounds (tetramethyltin, tetrabutyltin, dibutyltin dibromide, stannic chloride, hexamethylditin

  15. 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.

  16. Structure analysis of O,O’-propane-1,3-diyl bis[diphenyl(phosphinothioate)

    SciTech Connect

    Karaman, M.; Irisli, S.; Büyükgüngör, O.

    2013-12-15

    A new diphosphine disulphide compound with the formula C{sub 27}H{sub 26}O{sub 2} vertical bar P{sub 2}S{sub 2}, was synthesized from the reaction between PPh{sub 2}SCl and 1,3-propanediol and characterized with different spectroscopic methods. Its structure has also been studied by X-ray diffraction. The compound crystallizes in the triclinic space group P-bar1. Pentavalent phosphorus atoms in the molecule are in distorted tetrahedral environments.

  17. Evaluation of Propane Combustion Traps for the Collection of Phlebotomus papatasi (Scopoli) in Southern Israel

    DTIC Science & Technology

    2011-03-01

    Ceratopogonidae) biting midges (Cilek and Hallmon 2005, Cilek et al. 2003) in the U.S.; some Lutzomyia have been collaterally collected. To our...Ashbel 1951). Average daily temperature is 20° C from the end of September to Report Documentation Page Form ApprovedOMB No. 0704-0188 Public

  18. 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...

  19. Acetonitrile cluster solvation in a cryogenic ethane-methane-propane liquid: Implications for Titan lake chemistry.

    PubMed

    Corrales, L René; Yi, Thomas D; Trumbo, Samantha K; Shalloway, David; Lunine, Jonathan I; Usher, David A

    2017-03-14

    The atmosphere of Titan, Saturn's largest moon, exhibits interesting UV- and radiation-driven chemistry between nitrogen and methane, resulting in dipolar, nitrile-containing molecules. The assembly and subsequent solvation of such molecules in the alkane lakes and seas found on the moon's surface are of particular interest for investigating the possibility of prebiotic chemistry in Titan's hydrophobic seas. Here we characterize the solvation of acetonitrile, a product of Titan's atmospheric radiation chemistry tentatively detected on Titan's surface [H. B. Niemann et al., Nature 438, 779-784 (2005)], in an alkane mixture estimated to match a postulated composition of the smaller lakes during cycles of active drying and rewetting. Molecular dynamics simulations are employed to determine the potential of mean force of acetonitrile (CH3CN) clusters moving from the alkane vapor into the bulk liquid. We find that the clusters prefer the alkane liquid to the vapor and do not dissociate in the bulk liquid. This opens up the possibility that acetonitrile-based microscopic polar chemistry may be possible in the otherwise nonpolar Titan lakes.

  20. 3-(1H-Imidazol-1-yl)propane­nitrile

    PubMed Central

    Peppel, Tim; Köckerling, Martin

    2009-01-01

    The title compound, C6H7N3, has an ethyl­ene group connecting an imidazole ring and a –CN group. These groups are in a staggered conformation. The shortest inter­molecular contact is found between the imidazole N atom and a –CH2– group of a neighboring mol­ecule. PMID:21577931

  1. Influence of the Sonication Temperature on the Debundling Kinetics of Carbon Nanotubes in Propan-2-ol

    PubMed Central

    Dumée, Ludovic; Sears, Kallista; Schütz, Jürg; Finn, Niall; Duke, Mikel; Gray, Stephen

    2013-01-01

    The effect of sonication temperature on the debundling of carbon nanotube (CNT) macro-bundles is reported and demonstrated by analysis with different particle sizing methods. The change of bundle size over time and after several comparatively gentle sonication cycles of suspensions at various temperatures is reported. A novel technique is presented that produces a more homogeneous nanotube dispersion by lowering the temperature during sonication. We produce evidence that temperature influences the suspension stability, and that low temperatures are preferable to obtain better dispersion without increasing damage to the CNT walls. PMID:28348322

  2. Local health care system utilizing the LPG (liquid propane gas) network.

    PubMed

    Umemoto, T; Hoshi, H; Tsuda, M; Horio, S; Itou, N; Neriki, T

    1998-07-01

    JAC's LPG monitoring network system is mainly provided in mountain villages. However, by using this system, it will be possible to start a Digital Network Program for the Elderly while maintaining superior economic feasibility and public benefit using existing information infrastructures. This project also has the capabilities for the creation of a fire/disaster monitoring system, as well as a health care system by using conventional LPG monitoring systems. Telemedicine is an option for the future, as well, by connecting medical equipment and a tele-conferencing system.

  3. Modeling the Thermodynamic and Transport Properties of Decahydronaphthalene/Propane Mixtures: Phase Equilibria, Density, and Viscosity

    DTIC Science & Technology

    2011-01-01

    single constant binary interaction parameter. Density predictions from the MSLEOS were used as input mixture density values required for the FVM...viscosities were computed from a free volume model (FVM) by using a single constant binary interaction parameter. Density predictions from the MSLEOS...recording the time it takes the piston to move between the two magnetic coils . This time is converted to a value of viscosity in centipoise (cP) by an

  4. Cost and Performance Report; In-Situ Remediation of MTBE Contaminated Aquifers Using Propane Biosparging

    DTIC Science & Technology

    2003-12-01

    potential problem is decreasing the permeability by pneumatic or hydraulic fracturing . Pneumatic fracturing (PF) uses the injection of pressurized air...to increase the biodegradation of the contaminants. Hydraulic fracturing is similar to PF with the exception that water is used and at pressures as

  5. Cost and Performance Report In-Situ Remediation of MTBE Contaminated Aquifers Using Propane Biosparging

    DTIC Science & Technology

    2003-12-01

    by pneumatic or hydraulic fracturing . Pneumatic fracturing (PF) uses the injection of pressurized air 47 (up to 175 psi) in to the formation that...contaminants. Hydraulic fracturing is similar to PF with the exception that water is used and at pressures as high as 2000 psi. Technical questions

  6. In Situ Remediation of MTBE-Contaminated Aquifers Using Propane Biosparging

    DTIC Science & Technology

    2003-09-01

    problem is decreasing the permeability by pneumatic or hydraulic fracturing . Pneumatic fracturing (PF) uses the injection of pressurized air 47 (up to...increase the biodegradation of the contaminants. Hydraulic fracturing is similar to PF with the exception that water is used and at pressures as high as

  7. In-Situ Remediation of MTBE Contaminated Aquifers Using Propane Biosparging. Revision 1

    DTIC Science & Technology

    2003-01-03

    wear eye protection , shall be protected by goggles or spectacles of one of the following: a. Spectacles whose protective lenses provide optical...wearing Level C/ D protection consisting of: • Cotton Coveralls, or one-piece, hooded, polyethylene- coated Tyvek Coverall - Modified Level D • Safety...contact lenses for onsite personnel is prohibited. All personnel entering areas requiring Level C protection shall complete the requirements above and: 1

  8. 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.

  9. 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.

  10. Diethyl 2-[phen­yl(pyrazol-1-yl)meth­yl]propane­dioate

    PubMed Central

    Meskini, Ihssan; Daoudi, Maria; Daran, Jean-Claude; Zouihri, Hafid; Ben Hadda, Taibi

    2010-01-01

    There are two independent mol­ecules in the asymmetric unit of the title compound, C17H20N2O4, which differ slightly in the orientation of the phenyl ring and carbonyl groups with respect to the pyrazole unit. In the first mol­ecule, the dihedral angle between the phenyl and pyrazole rings is 68.99 (13)° while the two carbonyl groups make a dihedral angle of 72.1 (4)°. The corresponding values in the second mol­ecule are 68.54 (14) and 71.5 (4)°, respectively. PMID:21579078

  11. 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.

  12. 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.

  13. 40 CFR 1065.341 - CVS and batch sampler verification (propane check).

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... sampling system as overflow zero air flows. For batch HC measurement, fill the batch container (such as a... (CONTINUED) AIR POLLUTION CONTROLS ENGINE-TESTING PROCEDURES Calibrations and Verifications Flow-Related... injected C3H8 using HC measurements and CVS flow rate measurements with the reference value. (c)...

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

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... sampling system as overflow zero air flows. For batch HC measurement, fill the batch container (such as a... (CONTINUED) AIR POLLUTION CONTROLS ENGINE-TESTING PROCEDURES Calibrations and Verifications Flow-Related... injected C3H8 using HC measurements and CVS flow rate measurements with the reference value. (c)...

  15. Structure analysis of O,O'-propane-1,3-diyl bis[diphenyl(phosphinothioate)

    NASA Astrophysics Data System (ADS)

    Karaman, M.; Irisli, S.; Büyükgüngör, O.

    2013-12-01

    A new diphosphine disulphide compound with the formula C27H26O2|P2S2, was synthesized from the reaction between PPh2SCl and 1,3-propanediol and characterized with different spectroscopic methods. Its structure has also been studied by X-ray diffraction. The compound crystallizes in the triclinic space group . Pentavalent phosphorus atoms in the molecule are in distorted tetrahedral environments.

  16. (S)-1-Ferrocenyl-3-hy­droxy-3-phenyl­propan-1-one

    PubMed Central

    Wang, Ping-An

    2011-01-01

    In the title compound, [Fe(C5H5)(C14H13O2)], the dihedral angle between the phenyl ring and the unsubstituted cyclo­petadienyl ring is 85.0 (2)°while that between the phenyl ring and the substituted cyclo­petadienyl ring is 83.6 (2)°. The dihedral angle between the two cyclo­penta-1,3-diene rings of the ferrocene unit is 2.2 (2)°. The mol­ecules are stabilized by inter­molecular O—H⋯O hydrogen-bonding inter­action within the crystal lattice. PMID:21522855

  17. Detonation mode and frequency analysis under high loss conditions for stoichiometric propane-oxygen

    DOE PAGES

    Jackson, Scott I.; Lee, Bok Jik; Shepherd, Joseph E.

    2016-03-24

    In this paper, the propagation characteristics of galloping detonations were quantified with a high-time-resolution velocity diagnostic. Combustion waves were initiated in 30-m lengths of 4.1-mm inner diameter transparent tubing filled with stoichiometric propane–oxygen mixtures. Chemiluminescence from the resulting waves was imaged to determine the luminous wave front position and velocity every 83.3 μ. As the mixture initial pressure was decreased from 20 to 7 kPa, the wave was observed to become increasingly unsteady and transition from steady detonation to a galloping detonation. While wave velocities averaged over the full tube length smoothly decreased with initial pressure down to half ofmore » the Chapman–Jouguet detonation velocity (DCJ) at the quenching limit, the actual propagation mechanism was seen to be a galloping wave with a cycle period of approximately 1.0 ms, corresponding to a cycle length of 1.3–2.0 m or 317–488 tube diameters depending on the average wave speed. The long test section length of 7300 tube diameters allowed observation of up to 20 galloping cycles, allowing for statistical analysis of the wave dynamics. In the galloping regime, a bimodal velocity distribution was observed with peaks centered near 0.4 DCJ and 0.95 DCJ. Decreasing initial pressure increasingly favored the low velocity mode. Galloping frequencies ranged from 0.8 to 1.0 kHz and were insensitive to initial mixture pressure. Wave deflagration-to-detonation transition and detonation failure trajectories were found to be repeatable in a given test and also across different initial mixture pressures. The temporal duration of wave dwell at the low and high velocity modes during galloping was also quantified. It was found that the mean wave dwell duration in the low velocity mode was a weak function of initial mixture pressure, while the mean dwell time in the high velocity mode depended exponentially on initial mixture pressure. Analysis of the velocity histories using dynamical systems ideas demonstrated trajectories that varied from stable to limit cycles to aperiodic motion with decreasing initial pressure. Finally, the results indicate that galloping detonation is a persistent phenomenon at long tube lengths.« less

  18. Detonation mode and frequency analysis under high loss conditions for stoichiometric propane-oxygen

    SciTech Connect

    Jackson, Scott I.; Lee, Bok Jik; Shepherd, Joseph E.

    2016-03-24

    In this paper, the propagation characteristics of galloping detonations were quantified with a high-time-resolution velocity diagnostic. Combustion waves were initiated in 30-m lengths of 4.1-mm inner diameter transparent tubing filled with stoichiometric propane–oxygen mixtures. Chemiluminescence from the resulting waves was imaged to determine the luminous wave front position and velocity every 83.3 μ. As the mixture initial pressure was decreased from 20 to 7 kPa, the wave was observed to become increasingly unsteady and transition from steady detonation to a galloping detonation. While wave velocities averaged over the full tube length smoothly decreased with initial pressure down to half of the Chapman–Jouguet detonation velocity (DCJ) at the quenching limit, the actual propagation mechanism was seen to be a galloping wave with a cycle period of approximately 1.0 ms, corresponding to a cycle length of 1.3–2.0 m or 317–488 tube diameters depending on the average wave speed. The long test section length of 7300 tube diameters allowed observation of up to 20 galloping cycles, allowing for statistical analysis of the wave dynamics. In the galloping regime, a bimodal velocity distribution was observed with peaks centered near 0.4 DCJ and 0.95 DCJ. Decreasing initial pressure increasingly favored the low velocity mode. Galloping frequencies ranged from 0.8 to 1.0 kHz and were insensitive to initial mixture pressure. Wave deflagration-to-detonation transition and detonation failure trajectories were found to be repeatable in a given test and also across different initial mixture pressures. The temporal duration of wave dwell at the low and high velocity modes during galloping was also quantified. It was found that the mean wave dwell duration in the low velocity mode was a weak function of initial mixture pressure, while the mean dwell time in the high velocity mode depended exponentially on initial mixture pressure. Analysis of the velocity histories using dynamical systems ideas demonstrated trajectories that varied from stable to limit cycles to aperiodic motion with decreasing initial pressure. Finally, the results indicate that galloping detonation is a persistent phenomenon at long tube lengths.

  19. 20-L Scale-Up Fermentation and Biotransformation of Gaseous Propane to Propanol

    DTIC Science & Technology

    2011-02-01

    Biotransformation Mutation Dissolved oxygen profile Plasmid 16. SECURITY CLASSIFICATION OF: a. REPORT U b. ABSTRACT U c . THIS PAGE U 17. LIMITATION OF... Bioprocess for Alternative Fuel from Wastes and Stranded Methane Reserves." Research at Caltech on the directed evolution of cytochrome P-450 BM-3...conditions: 30 ° C temperature, 300 rpm mixing speed, 20 standard liters per minute (slpm) air flow, 1 psi overhead pressure, and pH 7 (controlled

  20. Acetonitrile cluster solvation in a cryogenic ethane-methane-propane liquid: Implications for Titan lake chemistry

    NASA Astrophysics Data System (ADS)

    Corrales, L. René; Yi, Thomas D.; Trumbo, Samantha K.; Shalloway, David; Lunine, Jonathan I.; Usher, David A.

    2017-03-01

    The atmosphere of Titan, Saturn's largest moon, exhibits interesting UV- and radiation-driven chemistry between nitrogen and methane, resulting in dipolar, nitrile-containing molecules. The assembly and subsequent solvation of such molecules in the alkane lakes and seas found on the moon's surface are of particular interest for investigating the possibility of prebiotic chemistry in Titan's hydrophobic seas. Here we characterize the solvation of acetonitrile, a product of Titan's atmospheric radiation chemistry tentatively detected on Titan's surface [H. B. Niemann et al., Nature 438, 779-784 (2005)], in an alkane mixture estimated to match a postulated composition of the smaller lakes during cycles of active drying and rewetting. Molecular dynamics simulations are employed to determine the potential of mean force of acetonitrile (CH3CN) clusters moving from the alkane vapor into the bulk liquid. We find that the clusters prefer the alkane liquid to the vapor and do not dissociate in the bulk liquid. This opens up the possibility that acetonitrile-based microscopic polar chemistry may be possible in the otherwise nonpolar Titan lakes.

  1. A comparative study and evaluation of sulfamethoxazole adsorption onto organo-montmorillonites.

    PubMed

    Lu, Laifu; Gao, Manglai; Gu, Zheng; Yang, Senfeng; Liu, Yuening

    2014-12-01

    Three organo-montmorillonites were prepared using surfactants, and their adsorption behaviors toward sulfamethoxazole (SMX) were investigated. The surfactants used were cetyltrimethyl ammonium bromide (CTMAB), 3-(N,N-dimethylhexadecylammonio) propane sulfonate (HDAPS) and 1,3-bis(hexadecyldimethylammonio)-propane dibromide (BHDAP). The properties of the organo-montmorillonites were characterized by X-ray diffraction, scanning electron microscopy and N2 adsorption-desorption isotherm measurements. Results showed that the interlayer spacing of montmorillonite was increased and the surface area as well as the morphology were changed. Batch adsorption experiments showed that the surfactant loading amount had a great effect on the adsorption of SMX. The adsorption process was pH dependent and the maximum adsorption capacity was obtained at pH3 for HDAPS-Mt, while CTMAB-Mt and BHDAP-Mt showed a high removal efficiency at 3-11. The adsorption capacity increased with the initial SMX concentration and contact time but decreased with increasing solution ionic strength. Kinetic data were best described by the pseudo second-order model. Equilibrium data were best represented by the Langmuir model, and the Freundlich constant (n) indicated a favorable adsorption process. The maximum adsorption capacity of SMX was 235.29 mg/g for CTMAB-Mt, 155.28 mg/g for HDAPS-Mt and 242.72 mg/g for BHDAP-Mt. Thermodynamic parameters were calculated to evaluate the spontaneity and endothermic or exothermic nature. The adsorption mechanism was found to be dominated by electrostatic interaction, while hydrophobic interaction played a secondary role.

  2. Effect of spacer length on the interfacial behavior of N,N'-bis(dimethylalkyl)-α,ω-alkanediammonium dibromide gemini surfactants in the absence and presence of ZnO nanoparticles.

    PubMed

    Fereidooni Moghadam, Tahereh; Azizian, Saeid; Wettig, Shawn

    2017-01-15

    In this paper the interfacial behavior of aqueous solutions of cationic gemini surfactants of the, N,N'-bis(dimethylalkyl)-α,ω-alkanediammoniumdibromide type (known as the 12-s-12 series), in the absence and presence of ZnO nanoparticles was studied. Equilibrium and dynamic interfacial tension between n-decane and aqueous surfactant solutions were investigated. It was concluded that the synergistic effect between surfactants and nanoparticles increases the surfactant efficiency with respect to reducing the interfacial tension. Moreover, the magnitude of the effect of ZnO nanoparticles on the interfacial tension decreases with increasing length of the spacer group in the gemini surfactant structure. Dynamic studies illustrate that the migration mechanism of gemini surfactants (regardless of the presence of ZnO) from the bulk to the interface was controlled by both diffusion and adsorption. The effect of spacer length on the contact angle and emulsion stability both with and without nanoparticles was also studied.

  3. 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.

  4. 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

  5. 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.

  6. 75 FR 59617 - Notification of Arrival in U.S. Ports; Certain Dangerous Cargoes

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-09-28

    ... cyanohydrin; (ii) Allyl alcohol; (iii) Chlorosulfonic acid; (iv) Crotonaldehyde; (v) Ethylene chlorohydrin; (vi) Ethylene dibromide; (vii) Methacrylonitrile; (viii) Oleum (fuming sulfuric acid); and...

  7. 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....

  8. 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…

  9. 4-[3-(4-Methyl­piperidin-1-yl)propan­amido]­benzene­sulfonamide monohydrate

    PubMed Central

    Türkmen, Hasan; Yalçın, Şerife Pınar; Durgun, Mustafa; Akkurt, Mehmet

    2012-01-01

    In the title compound, C15H23N3O3S·H2O, the piperidine ring has a chair conformation. In the crystal, the sulfonamide mol­ecules are linked by N—H⋯O hydrogen bonds, forming a layer parallel to (10-1). The layers are inter­connected via N—H⋯Ow, Ow—H⋯N and Ow—H⋯O (w = water) hydrogen bonds, forming a three-dimensional network. PMID:23476289

  10. P,P-Bis[4-(dimethyl-amino)-phen-yl]-N,N-bis-(propan-2-yl)phosphinic amide.

    PubMed

    Evans, Stephen J; Renison, C Alicia; Williams, D Bradley G; Muller, Alfred

    2013-02-01

    The mol-ecular structure of the title compound, C(22)H(34)N(3)OP, adopts a distorted tetra-hedral geometry at the P atom, with the most noticeable distortion being for the O-P-N angle [117.53 (10)°]. An effective cone angle of 187° was calculated for the compound. In the crystal, weak C-H⋯O inter-actions create infinite chains along [100], whereas C-H⋯π inter-actions propagating in [001] generate a herringbone motif.

  11. 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.

  12. Laboratory-Scale Demonstration Using Dilute Ammonia Gas-Induced Alkaline Hydrolysis of Soil Contaminants (Chlorinated Propanes and Explosives)

    DTIC Science & Technology

    2016-06-01

    Oxygen Depletion Due to Ammonia Addition in AMO Experiments...ERDC Director. ERDC/EL TR-16-10 viii Acronyms ABC Ammonia Buffering Capacity AFB Air Force Base AMO Ammonia Monooxygenase bgs below ground...convert carbon dioxide to organic matter. The aerobic reaction is catalyzed by the enzyme ammonia monooxygenase ( AMO ). Ammonia monooxygenase is

  13. 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...

  14. 1-Chloro-1-[(4-meth­oxy­phen­yl)hydrazinyl­idene]propan-2-one

    PubMed Central

    Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Zayed, Mohie E. M.; Ng, Seik Weng

    2011-01-01

    The non-H atoms of the title compound, C10H11ClN2O2, lie nearly on a plane (r.m.s. deviation = 0.150 Å), and the C=N double bond has a Z configuration. In the crystal, adjacent mol­ecules are linked by an N—H⋯Ocarbon­yl hydrogen bond, forming a chain running along [201]. PMID:22091000

  15. Propane jet-freezing: a valid ultra-rapid freezing method for the preservation of temperature dependent lipid phases.

    PubMed

    van Venetië, R; Hage, W J; Bluemink, J G; Verkleij, A J

    1981-09-01

    We have developed a temperature controlled specimen stage on the existing jet-freezing apparatus, in order to quench samples from elevated temperatures up to 330 K. We have shown that the phase transition both from the liquid-crystalline to solid phase for pure phosphatidylcholines and from hexagonal II to lamellar phase for phosphatidylethanolamine/4% egg phosphatidic acid is prevented. Moreover, cooling rates exceeding 10,000 K s-1 were recorded indicative of ultra-rapid freezing capacity. Cryoprotectants can be omitted, since phase separation due to ice crystal growth does not occur.

  16. 41 CFR 102-74.280 - Are privately owned vehicles converted for propane carburetion permitted in underground parking...

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 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 2012-01-01 2012-01-01 false Are privately...

  17. 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...

  18. Transfer function characteristics of bluff-body stabilized, conical V-shaped premixed turbulent propane-air flames

    SciTech Connect

    Chaparro, Andres; Landry, Eric; Cetegen, Baki M.

    2006-04-15

    The response of bluff-body stabilized conical V-shaped premixed flames to periodic upstream velocity oscillations was characterized as a function of oscillation frequency, mean flow velocity, and equivalence ratio. The flame heat release response to the imposed velocity oscillations was determined from the CH* chemiluminescence captured by two photomultiplier (PMT) detectors at a wavelength of 430 nm. One of the PMTs viewed flame radiation in a 10-mm horizontal slice, 50 mm above the bluff-body. The second PMT observed the overall flame radiation. The flame transfer function characteristics were determined from the spectral analysis of the velocity and PMT signals. It was found that the flame heat release amplitude response is confined to low-frequency excitation below a Strouhal number of 4. The phase relationship of the transfer function for these turbulent flames was evaluated using the signal from the spatially masked PMT. The transfer function estimate based on these data exhibits second-order characteristics with a phase lag between the velocity and heat release signals. The localized heat-release response contains frequencies that are multiples of the excitation frequency, suggesting splitting and tilting of flame structures as well as some nonlinear effects. Increase of flame equivalence ratio from lean toward stoichiometric resulted in slight amplification of the high-frequency response. (author)

  19. 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

  20. 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...

  1. 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.

  2. 1-Methyl­amino-3-(2,4,6-trimethyl­phen­yl)propan-2-ol

    PubMed Central

    Maharramov, Abel M.; Khalilov, Ali N.; Gurbanov, Atash V.; Allahverdiyev, Mirze A.; Ng, Seik Weng

    2011-01-01

    The methyl­amino­propyl chain in the title compound, C13H21NO, adopts an extended zigzag conformation and the N atom shows a trigonal coordination. The N atom acts as hydrogen-bond acceptor to the hy­droxy group of an adjacent mol­ecule, generating a helical chain running along the b axis. The amino H atom is not involved in hydrogen bonding. PMID:21754075

  3. 1-(Piperidin-1-yl)-3-(2,4,6-trimethyl­phen­yl)propan-2-ol

    PubMed Central

    Maharramov, Abel M.; Khalilov, Ali N.; Gurbanov, Atash V.; Allahverdiyev, Mirze A.; Ng, Seik Weng

    2011-01-01

    The title compound, C17H27NO, features a bufferfly-shaped substituted 2-propanol having an aromatic ring on the 1-carbon and a piperidine ring on the 3-carbon. The piperidine ring adopts a chair conformation and its N atom shows a trigonal coordination. In the crystal, the hy­droxy group inter­acts with the N atom of an inversion-related mol­ecule, generating an O—H⋯N hydrogen-bonded dimer. PMID:21522478

  4. 76 FR 17646 - Registration Review; Pesticide Dockets Opened for Review and Comment and Other Docket Actions...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-03-30

    ... is ensuring that each pesticide's registration is based on current scientific and other knowledge... work plan for the registration review of the pesticide diquat dibromide; this work plan has been... final work plan for the registration review of diquat dibromide. The work plan was revised...

  5. 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... (seed crop Concentrate only) and Soybean (seed crop only) 83529-13 Diquash Ag Diquat dibromide Sorghum (seed crop only) and Soybean (seed crop only) Users of these products who desire continued use on...

  6. Allosteric binding sites on muscarinic acetylcholine receptors.

    PubMed

    Wess, Jürgen

    2005-12-01

    In this issue of Molecular Pharmacology, Tränkle et al. (p. 1597) present new findings regarding the existence of a second allosteric site on the M2 muscarinic acetylcholine receptor (M2 mAChR). The M2 mAChR is a prototypic class A G protein-coupled receptor (GPCR) that has proven to be a very useful model system to study the molecular mechanisms involved in the binding of allosteric GPCR ligands. Previous studies have identified several allosteric muscarinic ligands, including the acetylcholinesterase inhibitor tacrine and the bis-pyridinium derivative 4,4'-bis-[(2,6-dichloro-benzyloxy-imino)-methyl]-1,1'-propane-1,3-diyl-bis-pyridinium dibromide (Duo3), which, in contrast to conventional allosteric muscarinic ligands, display concentration-effect curves with slope factors >1. By analyzing the interactions of tacrine and Duo3 with other allosteric muscarinic agents predicted to bind to the previously identified ;common' allosteric binding site, Tränkle et al. provide evidence suggesting that two allosteric agents and one orthosteric ligand may be able to bind to the M2 mAChR simultaneously. Moreover, studies with mutant mAChRs indicated that the M2 receptor epitopes involved in the binding of tacrine and Duo3 may not be identical. Molecular modeling and ligand docking studies suggested that the additional allosteric site probably represents a subdomain of the receptor's allosteric binding cleft. Because allosteric binding sites have been found on many other GPCRs and drugs interacting with these sites are thought to have great therapeutic potential, the study by Tränkle et al. should be of considerable general interest.

  7. Kinetics of manganese(III) acetate in acetic acid: Generation of Mn(III) with Co(III), Ce(IV), and dibromide radicals; reactions of Mn(III) with Mn(II), Co(II), hydrogen bromide, and alkali bromides

    SciTech Connect

    Jiao, X.D.; Espenson, J.H.

    2000-04-03

    The reaction of cobalt(III) acetate with excess manganese(II) acetate in acetic acid occurs in two stages, since the two forms Co(IIIc) and Co(IIIs) are not rapidly equilibrated and thus react independently. The rate constants at 24.5 C are {kappa}{sub c} = 37.1 {+-} 0.6 L mol{sup {minus}1} s{sup {minus}1} and {kappa}{sub s} = 6.8 {+-} 0.2 L mol{sup {minus}1} s{sup {minus}1} at 24.5 C in glacial acetic acid. The Mn(III) produced forms a dinuclear complex with the excess of Mn(II). This was studied independently and is characterized by the rate constant (3.43 {+-} 0.01) x 10{sup 2} L mol{sup {minus}1} s{sup {minus}1} at 24.5 C. A similar interaction between Mn(III) and Co(II) is substantially slower, with {kappa} = (3.73 {+-} 0.05) x 10{sup {minus}1} L mol{sup {minus}1} s{sup {minus}1} at 24.5 C. Mn(II) is also oxidized by Ce(IV), according to the rate law {minus}d[Ce(IV)]/dt = {kappa}[Mn(II)]{sup 2}[Ce(IV)], where {kappa} = (6.0 {+-} 0.2) x 10{sup 4} L{sup 2} mol{sup {minus}2} s{sup {minus}1}. The reaction between Mn(II) and HBr{sub 2}{sup {sm_bullet}}, believed to be involved in the mechanism by which Mn(III) oxidizes HBr, was studied by laser photolysis; the rate constant is (1.48 {+-} 0.04) x 10{sup 8} L mol{sup {minus}1} s{sup {minus}1} at {approximately}23 C in HOAc. Oxidation of Co(II) by HBr{sub 2}{sup {sm_bullet}} has the rate constant (3.0 {+-} 0.1) x 10{sup 7} L mol{sup {minus}1} s{sup {minus}1}. The oxidation of HBr by Mn(III) is second order with respect to [HBr]; {kappa} = (4.10 {+-} 0.08) x 10{sup 5} L{sup 2} mol{sup {minus}2} s{sup {minus}1} at 4.5 C in 10% aqueous HOAc. Similar reactions with alkali metal bromides were studied; their rate constants are 17--23 times smaller. This noncomplementary reaction is believed to follow that rate law so that HBr{sub 2}{sup {sm_bullet}} and not Br{sup {sm_bullet}} (higher in Gibbs energy by 0.3 V) can serve as the intermediate. The analysis of the reaction steps then requires that the oxidation of HBr{sub 2}{sup {sm_bullet}} to Br{sub 2} by Mn(III) be diffusion controlled, which is consistent with the driving force and seemingly minor reorganization.

  8. Bis(2,2'-bipyridine)[1,9-bis(diphenylphos-phanyl)-1,2,3,4,6,7,8,9-octahydropyrim-ido[1,2-a]pyrimidin-5-ium]ruthenium(II) hexa-fluorido-phosphate dibromide di-chloro-methane disolvate monohydrate.

    PubMed

    Shang, Congcong; Vendier, Laure; Sutra, Pierre; Igau, Alain

    2013-11-06

    In the cation of the title complex, [Ru(C31H32N3P2)(C10H8N2)2](PF6)(Br)2·2CH2Cl2·H2O, the ruthenium ion is coordinated in a distorted octa-hedral geometry by two 2,2'-bi-pyridine (bpy) ligands and a chelating cationic N-di-phenyl-phosphino-1,3,4,6,7,8-hexa-hydro-2-pyrimido[1,2-a]pyrimidine [(PPh2)2-hpp] ligand. The tricationic charge of the complex is balanced by two bromide and one hexa-fluorido-phosphate counter-anions. The compound crystallized with two mol-ecules of di-chloro-methane (one of which is equally disordered about a Cl atom) and a water mol-ecule. In the crystal, one of the Br anions bridges two water mol-ecules via O-H⋯Br hydrogen bonds, forming a centrosymmetric diamond-shaped R (4) 2(8) motif. The cation and anions and the solvent mol-ecules are linked via C-H⋯F, C-H⋯Br, C-H⋯Cl and C-H⋯O hydrogen bonds, forming a three-dimensional network.

  9. Crystal structure of N-[3-(di­methyl­aza­nium­yl)prop­yl]-N′,N′,N′′,N′′-tetra­methyl-N-(N,N,N′,N′-tetra­methyl­form­am­id­in­ium­yl)­guanidinium dibromide hydroxide monohydrate

    PubMed Central

    Tiritiris, Ioannis; Kantlehner, Willi

    2015-01-01

    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 mol­ecule. 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 bis­amidinium 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 (di­methyl­aza­nium­yl)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 di­methyl­ammonium 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

  10. 40 CFR Table 36 to Subpart G of... - Compound Lists Used for Compliance Demonstrations for Enhanced Biological Treatment Processes...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    .... Ethylene Glycol MonobutylEther Acetate Chloroprene. Ethylene Glycol MonomethylEther Acetate Cumene (isopropylbenzene). Ethylene Glycol Dimethyl Ether Dibromoethane 1,2. Hexachlorobenzene Dichlorobenzene 1,4.... Ethylbenzene. Ethylene Oxide. Ethylene Dibromide. Hexachlorobutadiene. Hexachloroethane. Hexane-n....

  11. 40 CFR Table 36 to Subpart G of... - Compound Lists Used for Compliance Demonstrations for Enhanced Biological Treatment Processes...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    .... Ethylene Glycol MonobutylEther Acetate Chloroprene. Ethylene Glycol MonomethylEther Acetate Cumene (isopropylbenzene). Ethylene Glycol Dimethyl Ether Dibromoethane 1,2. Hexachlorobenzene Dichlorobenzene 1,4.... Ethylbenzene. Ethylene Oxide. Ethylene Dibromide. Hexachlorobutadiene. Hexachloroethane. Hexane-n....

  12. 40 CFR Table 36 to Subpart G of... - Compound Lists Used for Compliance Demonstrations for Enhanced Biological Treatment Processes...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    .... Ethylene Glycol MonobutylEther Acetate Chloroprene. Ethylene Glycol MonomethylEther Acetate Cumene (isopropylbenzene). Ethylene Glycol Dimethyl Ether Dibromoethane 1,2. Hexachlorobenzene Dichlorobenzene 1,4.... Ethylbenzene. Ethylene Oxide. Ethylene Dibromide. Hexachlorobutadiene. Hexachloroethane. Hexane-n....

  13. 40 CFR 142.62 - Variances and exemptions from the maximum contaminant levels for organic and inorganic chemicals.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...) Dibromochloropropane X X (27) 2,4-D X (28) Ethylene dibromide X X (29) Heptachlor X (30) Heptachlor epoxide X (31... for the inorganic chemicals listed in § 141.62: BAT for Inorganic Compounds Listed in §...

  14. Better Catalysts through Microscopy: Mesoscale M1/M2 Intergrowth in Molybdenum–Vanadium Based Complex Oxide Catalysts for Propane Ammoxidation

    SciTech Connect

    He, Qian; Woo, Jungwon; Belianinov, Alexei; Guliants, Vadim V.; Borisevich, Albina Y.

    2015-03-06

    Catalysis research has transformed from the predominantly empirical field to one where it is possible to control the catalytic properties via characterization and modification of the atomic-scale active centers. Many phenomena in catalysis, such as synergistic effect, however, transcend the atomic scale and also require the knowledge and control of the mesoscale structure of the specimen to harness. Our paper, we use our discovery of atomic-scale epitaxial interfaces in molybdenum vanadium based complex oxide catalysts systems (i.e., MoVMO, M = Ta, Te, Sb, Nb, etc.) to achieve control of the mesoscale structure of this complex mixture of very different active phases. We can now achieve true epitaxial intergrowth between the catalytically critical M1 and M2 phases in the system that are hypothesized to have synergistic interactions, and demonstrate that the resulting catalyst has improved selectivity in the initial studies. Finally, we highlight the crucial role atomic scale characterization and mesoscale structure control play in uncovering the complex underpinnings of the synergistic effect in catalysis.

  15. Clean Cities ozone air quality attainment and maintenance strategies that employ alternative fuel vehicles, with special emphasis on natural gas and propane

    SciTech Connect

    Santini, D.J.; Saricks, C.L.

    1998-08-04

    Air quality administrators across the nation are coming under greater pressure to find new strategies for further reducing automotive generated non-methane hydrocarbon (NMHC) and nitrogen oxide (NOx) emissions. The US Environmental Protection Agency (EPA) has established stringent emission reduction requirements for ozone non-attainment areas that have driven the vehicle industry to engineer vehicles meeting dramatically tightened standards. This paper describes an interim method for including alternative-fueled vehicles (AFVs) in the mix of strategies to achieve local and regional improvements in ozone air quality. This method could be used until EPA can develop the Mobile series of emissions estimation models to include AFVs and until such time that detailed work on AFV emissions totals by air quality planners and emissions inventory builders is warranted. The paper first describes the challenges confronting almost every effort to include AFVs in targeted emissions reduction programs, but points out that within these challenges resides an opportunity. Next, it discusses some basic relationships in the formation of ambient ozone from precursor emissions. It then describes several of the salient provisions of EPA`s new voluntary emissions initiative, which is called the Voluntary Mobile Source Emissions Reduction Program (VMEP). Recent emissions test data comparing gaseous-fuel light-duty AFVs with their gasoline-fueled counterparts is examined to estimate percent emissions reductions achievable with CNG and LPG vehicles. Examples of calculated MOBILE5b emission rates that would be used for summer ozone season planning purposes by an individual Air Quality Control Region (AQCR) are provided. A method is suggested for employing these data to compute appropriate voluntary emission reduction credits where such (lighter) AFVs would be acquired. It also points out, but does not quantify, the substantial reduction credits potentially achievable by substituting gaseous-fueled for gasoline-fueled heavy-duty vehicles. Finally, it raises and expands on the relevance of AFVs and their deployment to some other provisions embedded in EPA`s current guidance for implementing 1-hour NAAQS--standards which currently remain in effect--as tools to provide immediate reductions in ozone, without waiting for promised future clean technologies.

  16. SOLAR HEATING OF TANK BOTTOMS Application of Solar Heating to Asphaltic and Parrafinic Oils Reducing Fuel Costs and Greenhouse Gases Due to Use of Natural Gas and Propane

    SciTech Connect

    Eugene A. Fritzler

    2005-09-01

    The sale of crude oil requires that the crude meet product specifications for BS&W, temperature, pour point and API gravity. The physical characteristics of the crude such as pour point and viscosity effect the efficient loading, transport, and unloading of the crude oil. In many cases, the crude oil has either a very high paraffin content or asphalt content which will require either hot oiling or the addition of diluents to the crude oil to reduce the viscosity and the pour point of the oil allowing the crude oil to be readily loaded on to the transport. Marginal wells are significantly impacted by the cost of preheating the oil to an appropriate temperature to allow for ease of transport. Highly paraffinic and asphaltic oils exist throughout the D-J basin and generally require pretreatment during cold months prior to sales. The current study addresses the use of solar energy to heat tank bottoms and improves the overall efficiency and operational reliability of stripper wells.

  17. Volumetric Properties of the Mixture Propan-2-one C3H6O + C5H9NO2 N-Formylmorpholine (LB1728, VMSD1111)

    NASA Astrophysics Data System (ADS)

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

    This document is part of Subvolume A `Binary Liquid Systems of Nonelectrolytes' of Volume 23 `Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV `Physical Chemistry'. It corresponds to the data set LB1728 of the ELBT database.

  18. Volumetric Properties of the Mixture Propan-1-ol C3H8O + C5H9NO2 N-Formylmorpholine (LB2003, VMSD1212)

    NASA Astrophysics Data System (ADS)

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

    This document is part of Subvolume A `Binary Liquid Systems of Nonelectrolytes' of Volume 23 `Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV `Physical Chemistry'. It corresponds to the data set LB2003 of the ELBT database.

  19. Volumetric Properties of the Mixture Propan-1-ol C3H8O + C5H9NO2 N-Formylmorpholine (LB2014, VMSD1111)

    NASA Astrophysics Data System (ADS)

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

    This document is part of Subvolume A `Binary Liquid Systems of Nonelectrolytes' of Volume 23 `Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV `Physical Chemistry'. It corresponds to the data set LB2014 of the ELBT database.

  20. Volumetric Properties of the Mixture Propan-2-one C3H6O + C5H9NO2 N-Formylmorpholine (LB0731, VMSD1212)

    NASA Astrophysics Data System (ADS)

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

    This document is part of Subvolume A `Binary Liquid Systems of Nonelectrolytes' of Volume 23 `Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV `Physical Chemistry'. It corresponds to the data set LB0731 of the ELBT database.