WorldWideScience

Sample records for chemical intercooling gas

  1. Intercooler flow path for gas turbines: CFD design and experiments

    Energy Technology Data Exchange (ETDEWEB)

    Agrawal, A.K.; Gollahalli, S.R.; Carter, F.L. [Univ. of Oklahoma, Norman, OK (United States)] [and others

    1995-10-01

    The Advanced Turbine Systems (ATS) program was created by the U.S. Department of Energy to develop ultra-high efficiency, environmentally superior, and cost competitive gas turbine systems for generating electricity. Intercooling or cooling of air between compressor stages is a feature under consideration in advanced cycles for the ATS. Intercooling entails cooling of air between the low pressure (LP) and high pressure (BP) compressor sections of the gas turbine. Lower air temperature entering the HP compressor decreases the air volume flow rate and hence, the compression work. Intercooling also lowers temperature at the HP discharge, thus allowing for more effective use of cooling air in the hot gas flow path. The thermodynamic analyses of gas turbine cycles with modifications such as intercooling, recuperating, and reheating have shown that intercooling is important to achieving high efficiency gas turbines. The gas turbine industry has considerable interest in adopting intercooling to advanced gas turbines of different capacities. This observation is reinforced by the US Navys Intercooled-Recuperative (ICR) gas turbine development program to power the surface ships. In an intercooler system, the air exiting the LP compressor must be decelerated to provide the necessary residence time in the heat exchanger. The cooler air must subsequently be accelerated towards the inlet of the HP compressor. The circumferential flow nonuniformities inevitably introduced by the heat exchanger, if not isolated, could lead to rotating stall in the compressors, and reduce the overall system performance and efficiency. Also, the pressure losses in the intercooler flow path adversely affect the system efficiency and hence, must be minimized. Thus, implementing intercooling requires fluid dynamically efficient flow path with minimum flow nonuniformities and consequent pressure losses.

  2. Off-Design Behavior Analysis and Operating Curve Design of Marine Intercooled Gas Turbine

    OpenAIRE

    Nian-kun Ji; Shu-ying Li; Zhi-tao Wang; Ning-bo Zhao

    2017-01-01

    The intercooled gas turbine obtained by adopting an indirect heat exchanger into an existing gas turbine is one of the candidates for developing high-power marine power units. To simplify such a strong coupled nonlinear system reasonably, the feasibility and availability of qualifying equivalent effectiveness as the only parameter to evaluate the intercooler behavior are investigated. Regarding equivalent effectiveness as an additional degree of freedom, the steady state model of a marine int...

  3. Off-Design Behavior Analysis and Operating Curve Design of Marine Intercooled Gas Turbine

    Directory of Open Access Journals (Sweden)

    Nian-kun Ji

    2017-01-01

    Full Text Available The intercooled gas turbine obtained by adopting an indirect heat exchanger into an existing gas turbine is one of the candidates for developing high-power marine power units. To simplify such a strong coupled nonlinear system reasonably, the feasibility and availability of qualifying equivalent effectiveness as the only parameter to evaluate the intercooler behavior are investigated. Regarding equivalent effectiveness as an additional degree of freedom, the steady state model of a marine intercooled gas turbine is developed and its off-design performance is analyzed. With comprehensive considerations given to various phase missions of ships, operational flexibility, mechanical constraints, and thermal constraints, the operating curve of the intercooled gas turbine is optimized based on graphical method in three-dimensional performance space. The resulting operating curve revealed that the control strategy at the steady state conditions for the intercooled gas turbine should be variable cycle control. The necessity of integration optimization design for gas turbine and intercooler is indicated and the modeling and analysis method developed in this paper should be beneficial to it.

  4. Life cycle evaluation of an intercooled gas turbine plant used in conjunction with renewable energy

    Directory of Open Access Journals (Sweden)

    Thank-God Isaiah

    2016-09-01

    Full Text Available The life cycle estimation of power plants is important for gas turbine operators. With the introduction of wind energy into the grid, gas turbine operators now operate their plants in Load–Following modes as back-ups to the renewable energy sources which include wind, solar, etc. The motive behind this study is to look at how much life is consumed when an intercooled power plant with 100 MW power output is used in conjunction with wind energy. This operation causes fluctuations because the wind energy is unpredictable and overtime causes adverse effects on the life of the plant – The High Pressure Turbine Blades. Such fluctuations give rise to low cycle fatigue and creep failure of the blades depending on the operating regime used. A performance based model that is capable of estimating the life consumed of an intercooled power plant has been developed. The model has the capability of estimating the life consumed based on seasonal power demands and operations. An in-depth comparison was undertaken on the life consumed during the seasons of operation and arrives at the conclusion that during summer, the creep and low cycle life is consumed higher than the rest periods. A comparison was also made to determine the life consumed between Load–Following and stop/start operating scenarios. It was also observed that daily creep life consumption in summer was higher than the winter period in-spite of having lower average daily operating hours in a Start–Stop operating scenario.

  5. Mathematical analysis of aircraft intercooler design

    Science.gov (United States)

    Joyner, Upshur T

    1940-01-01

    A mathematical analysis has been made to show the method of obtaining the dimensions of the intercooler that will use the least total power for a given set of design conditions. The results of this analysis have been used in a sample calculation and, on the basis of this calculation, a new inter cooler arrangement is suggested. Because the length of the two air passages of the new arrangement is short in comparison with the third dimension, the height of the intercooler, this intercooler arrangement has unusual dimensions. These dimensions give the proposed intercooler arrangement an advantage over one of usual dimensions because less total power will be consumed by the intercooler, the weight and volume of the intercooler will be smaller, and the pressure drop of both the engine air and the cooling air in passing through the intercooler will be lower.

  6. Optimization of Heat Exchangers for Intercooled Recuperated Aero Engines

    Directory of Open Access Journals (Sweden)

    Dimitrios Misirlis

    2017-03-01

    Full Text Available In the framework of the European research project LEMCOTEC, a section was devoted to the further optimization of the recuperation system of the Intercooled Recuperated Aero engine (IRA engine concept, of MTU Aero Engines AG. This concept is based on an advanced thermodynamic cycle combining both intercooling and recuperation. The present work is focused only on the recuperation process. This is carried out through a system of heat exchangers mounted inside the hot-gas exhaust nozzle, providing fuel economy and reduced pollutant emissions. The optimization of the recuperation system was performed using computational fluid dynamics (CFD computations, experimental measurements and thermodynamic cycle analysis for a wide range of engine operating conditions. A customized numerical tool was developed based on an advanced porosity model approach. The heat exchangers were modeled as porous media of predefined heat transfer and pressure loss behaviour and could also incorporate major and critical heat exchanger design decisions in the CFD computations. The optimization resulted in two completely new innovative heat exchanger concepts, named as CORN (COnical Recuperative Nozzle and STARTREC (STraight AnnulaR Thermal RECuperator, which provided significant benefits in terms of fuel consumption, pollutants emission and weight reduction compared to more conventional heat exchanger designs, thus proving that further optimization potential for this technology exists.

  7. Research of Intercooler Heat Transfer Based on CFD

    Directory of Open Access Journals (Sweden)

    Wu Huajie

    2015-01-01

    Full Text Available The research object of this paper is intercooler used in vehicle. In the paper, the intercooler’s work area is divided into internal flow field and exterior flow field. The author analyzed the structure characteristics of the intercooler fin, and established finite element model in computational fluid dynamics software-Fluent. The unstructured grid is used to mesh. The finite element model is imported to Fluent before simulation. The temperature and pressure of intercooler is shown in result nephogram, and the results show the temperature in exit is higher than requirement. The paper provides scientific basis for structure and performance optimization to intercooler.

  8. Chemical kinetics of gas reactions

    CERN Document Server

    Kondrat'Ev, V N

    2013-01-01

    Chemical Kinetics of Gas Reactions explores the advances in gas kinetics and thermal, photochemical, electrical discharge, and radiation chemical reactions. This book is composed of 10 chapters, and begins with the presentation of general kinetic rules for simple and complex chemical reactions. The next chapters deal with the experimental methods for evaluating chemical reaction mechanisms and some theories of elementary chemical processes. These topics are followed by discussions on certain class of chemical reactions, including unimolecular, bimolecular, and termolecular reactions. The rema

  9. Investigation of intercooler-effectiveness on exergo-economic and exergo-sustainability parameters of modified Brayton cycles

    Directory of Open Access Journals (Sweden)

    Fidelis I. Abam

    2017-09-01

    Full Text Available The paper investigates the variants of intercooler effectiveness on exergo-economic and exergo-sustainability indicators of modified Brayton cycles. The objective is to ascertain how the variant in the intercooler effectiveness affects the exergy-based parameters. However, to achieve this, a component by component exergy-cost balances was established. The considered cycles include: the non-specific cycle (Case 1 comprising a gas turbine (GT, intercooler (IC, heat exchanger (HE and reheat system (REH, others include (GT+H+REH +ST, Case 2, (GT+HE +IC +REH +ST+FWH, Case 3 and (GT+HE+IC+REH +ST+2 FWH, Case 4. The calculated cycle efficiencies (Cases 1–4 varies from 17.59% to 28.84% for intercooler effectiveness of 0.75 and 0.95. The exergy destruction within this range was 0.97%, 1.26%, 0.89% and 1.23% (Cases 1, 2 3 and 4 respectively. The component exergy destruction cost (CEDC fluctuated between 3.85≤CEDC≤229.1$/hr,5.61E−06≤CEDC≤229.1$/h,1.46E−06≤CEDC≤229.1$/hr and 5.61E−06≤CEDC≤229.1$/hr for same order. Additionally, the exergo-sustainability indicators: exergy waste ratio (EWR, environmental effect factor (EFF and exergetic sustainability index (ESI were estimated between 17.59≤EEF≤28.84%,0.433≤EWR≤0.6359, 1.55≤ EFF ≤3.60 and 0.277≤ ESI ≤0.644. Conclusively, the intercooler and other modifications have a marginal effect but Cases 4 and 3 was most sustainable with considerable ESI.

  10. Failure analysis of blots for diesel engine intercooler

    Science.gov (United States)

    Ren, Ping; Li, Zongquan; Wu, Jiangfei; Guo, Yibin; Li, Wanyou

    2017-05-01

    In diesel generating sets, it will lead to the abominable working condition if the fault couldn’t be recovered when the bolt of intercooler cracks. This paper aims at the fault of the blots of diesel generator intercooler and completes the analysis of the static strength and fatigue strength. Static intensity is checked considering blot preload and thermal stress. In order to obtain the thermal stress of the blot, thermodynamic of intercooler is calculated according to the measured temperature. Based on the measured vibration response and the finite element model, using dynamic load identification technique, equivalent excitation force of unit was solved. In order to obtain the force of bolt, the excitation force is loaded into the finite element model. By considering the thermal stress and preload as the average stress while the mechanical stress as the wave stress, fatigue strength analysis has been accomplished. Procedure of diagnosis is proposed in this paper. Finally, according to the result of intensity verification the fatigue failure is validation. Thereby, further studies are necessary to verification the result of the intensity analysis and put forward some improvement suggestion.

  11. SPRINT spray intercooling augments LM6000 output

    Energy Technology Data Exchange (ETDEWEB)

    Smith, David

    1998-09-01

    By injecting water between the low pressure and high pressure compressors of an aeroderivative gas turbine, GE-IAD engineers have demonstrated that a 9 per cent increase in output accompanied by reduced life cycle costs can be achieved. Designated the SPRINT system, uprated LM 6000 units with augmented efficiency have been introduced to the market. The first two production units, both supplied to Southern Electric Power Generation in England for mid-merit independent power generation plants at Chickerell in Dorset and Burghfield in Berkshire, have each clocked in excess of 500 operating hours since start-up in early April 1998. MPS visited the Chickerell installation in late July 1998. (UK)

  12. Inter-cooler in solar-assisted refrigeration system: Theory and experimental verification

    Directory of Open Access Journals (Sweden)

    Zheng Hui-Fan

    2015-01-01

    Full Text Available An inter-cooler in the solar-assisted refrigeration system was investigated experimentally and theoretically, and the theoretical prediction was fairly in good agreement with the experimental data. The influence of pipe diameter, tooth depth, and spiral angle of inter-cooler on the performance of the refrigerant system was analyzed. It was concluded that heat transfer is influenced deeply by the structure parameters of inter-cooler, and the heat transfer capacity increases with tooth depth and spiral angle increasing, and decreases with tooth apex angle increasing.

  13. Gas-phase chemical dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Weston, R.E. Jr.; Sears, T.J.; Preses, J.M. [Brookhaven National Laboratory, Upton, NY (United States)

    1993-12-01

    Research in this program is directed towards the spectroscopy of small free radicals and reactive molecules and the state-to-state dynamics of gas phase collision, energy transfer, and photodissociation phenomena. Work on several systems is summarized here.

  14. Efficiency increase in ship's primal energy system using a multistage compression with intercooling

    Directory of Open Access Journals (Sweden)

    Landeka Petar

    2016-01-01

    Full Text Available This paper focuses on an analysis of the potential increase of efficiency in ship's primal energy system using a turbocharger with multistage compression with intercooling, and diverting a greater flow of exhaust gases to power turbine of waste heat recovery system (WHR. Analysis of potential efficiency increase has been made for various stages of compression for a 100 % main engine load, and an analysis of five stage compression with intercooling for a main engine load between 50% and 100%.

  15. Speciality chemicals from synthesis gas

    Energy Technology Data Exchange (ETDEWEB)

    Lin, J.J.; Knifton, J.F. (Shell Development Company, Houston, TX (USA))

    1992-04-01

    Texaco has undertaken research to investigate the use of carbon monoxide and hydrogen as building blocks for the manufacture of amidocarbonylation products. The amidocarbonylation reaction offers a convenient method to construct two functionalities - amido and carboxylate - simultaneously. Texaco has extended this chemistry to make a variety of speciality chemicals by tailoring cobalt catalysts. Products which have been made including: surface active agents such as the C{sub 14} - C{sub 16} alkyl amidoacids; surfactants; intermediates for sweeteners like aspartame; food additives like glutamic acid; and chelating agents such as polyamidoacids. 20 refs., 10 figs., 1 tab.

  16. Alternative Fuels and Chemicals From Synthesis Gas

    Energy Technology Data Exchange (ETDEWEB)

    none

    1998-07-01

    The overall objectives of this program are to investigate potential technologies for the conversion of synthesis gas to oxygenated and hydrocarbon fuels and industrial chemicals, and to demonstrate the most promising technologies at DOE's LaPorte, Texas, Slurry Phase Alternative Fuels Development Unit (AFDU). The program will involve a continuation of the work performed under the Alternative Fuels from Coal-Derived Synthesis Gas Program and will draw upon information and technologies generated in parallel current and future DOE-funded contracts.

  17. Alternative fuels and chemicals from synthesis gas

    Energy Technology Data Exchange (ETDEWEB)

    Unknown

    1998-08-01

    The overall objectives of this program are to investigate potential technologies for the conversion of synthesis gas to oxygenated and hydrocarbon fuels and industrial chemicals, and to demonstrate the most promising technologies at DOE's LaPorte, Texas, Slurry Phase Alternative Fuels Development Unit (AFDU). The program will involve a continuation of the work performed under the Alternative Fuels from Coal-Derived Synthesis Gas Program and will draw upon information and technologies generated in parallel current and future DOE-funded contracts.

  18. ALTERNATIVE FUELS AND CHEMICALS FROM SYNTHESIS GAS

    Energy Technology Data Exchange (ETDEWEB)

    Unknown

    1999-01-01

    The overall objectives of this program are to investigate potential technologies for the conversion of synthesis gas to oxygenated and hydrocarbon fuels and industrial chemicals, and to demonstrate the most promising technologies at DOE's LaPorte, Texas, Slurry Phase Alternative Fuels Development Unit (AFDU). The program will involve a continuation of the work performed under the Alternative Fuels from Coal-Derived Synthesis Gas Program and will draw upon information and technologies generated in parallel current and future DOE-funded contracts.

  19. Chemical Dense Gas Modeling in Cities

    Science.gov (United States)

    Brown, M. J.; Williams, M. D.; Nelson, M. A.; Streit, G. E.

    2007-12-01

    Many industrial facilities have on-site storage of chemicals and are within a few kilometers of residential population. Chemicals are transported around the country via trains and trucks and often go through populated areas on their journey. Many of the chemicals, like chlorine and phosgene, are toxic and when released into the air are heavier-than-air dense gases that hug the ground and result in high airborne concentrations at breathing level. There is considerable concern about the vulnerability of these stored and transported chemicals to terrorist attack and the impact a release could have on highly-populated urban areas. There is the possibility that the impacts of a dense gas release within a city would be exacerbated since the buildings might act to trap the toxic cloud at street level and channel it over a large area down side streets. However, no one is quite sure what will happen for a release in cities since there is a dearth of experimental data. There are a number of fast-running dense gas models used in the air pollution and emergency response community, but there are none that account for the complex flow fields and turbulence generated by buildings. As part of this presentation, we will discuss current knowledge regarding dense gas releases around buildings and other obstacles. We will present information from wind tunnel and field experiments, as well as computational fluid dynamics modeling. We will also discuss new fast response modeling efforts which are trying to account for dense gas transport and dispersion in cities.

  20. [Chemical hazards arising from shale gas extraction].

    Science.gov (United States)

    Pakulska, Daria

    2015-01-01

    The development of the shale industry is gaining momentum and hence the analysis of chemical hazards to the environment and health of the local population is extreiely timely and important. Chemical hazards are created during the exploitation of all minerals, but in the case of shale gas production, there is much more uncertainty as regards to the effects of new technologies application. American experience suggests the increasing risk of environmental contamination, mainly groundwater. The greatest, concern is the incomplete knowledge of the composition of fluids used for fracturing shale rock and unpredictability of long-term effects of hydraulic fracturing for the environment and health of residents. High population density in the old continent causes the problem of chemical hazards which is much larger than in the USA. Despite the growing public discontent data on this subject are limited. First of all, there is no epidemiological studies to assess the relationship between risk factors, such as air and water pollution, and health effects in populations living in close proximity to gas wells. The aim of this article is to identify and discuss existing concepts on the sources of environmental contamination, an indication of the environment elements under pressure and potential health risks arising from shale gas extraction.

  1. Chemical hazards arising from shale gas extraction

    Directory of Open Access Journals (Sweden)

    Daria Pakulska

    2015-02-01

    Full Text Available The development of the shale industry is gaining momentum and hence the analysis of chemical hazards to the environment and health of the local population is extremely timely and important. Chemical hazards are created during the exploitation of all minerals, but in the case of shale gas production, there is much more uncertainty as regards to the effects of new technologies application. American experience suggests the increasing risk of environmental contamination, mainly groundwater. The greatest concern is the incomplete knowledge of the composition of fluids used for fracturing shale rock and unpredictability of long-term effects of hydraulic fracturing for the environment and health of residents. High population density in the old continent causes the problem of chemical hazards which is much larger than in the USA. Despite the growing public discontent data on this subject are limited. First of all, there is no epidemiological studies to assess the relationship between risk factors, such as air and water pollution, and health effects in populations living in close proximity to gas wells. The aim of this article is to identify and discuss existing concepts on the sources of environmental contamination, an indication of the environment elements under pressure and potential health risks arising from shale gas extraction. Med Pr 2015;66(1:99–117

  2. Optimization of Heat Exchangers for Intercooled Recuperated Aero Engines

    National Research Council Canada - National Science Library

    Dimitrios Misirlis; Zinon Vlahostergios; Michael Flouros; Christina Salpingidou; Stefan Donnerhack; Apostolos Goulas; Kyros Yakinthos

    2017-01-01

    .... The present work is focused only on the recuperation process. This is carried out through a system of heat exchangers mounted inside the hot-gas exhaust nozzle, providing fuel economy and reduced pollutant emissions...

  3. Chemical looping integration with a carbon dioxide gas purification unit

    Science.gov (United States)

    Andrus, Jr., Herbert E.; Jukkola, Glen D.; Thibeault, Paul R.; Liljedahl, Gregory N.

    2017-01-24

    A chemical looping system that contains an oxidizer and a reducer is in fluid communication with a gas purification unit. The gas purification unit has at least one compressor, at least one dryer; and at least one distillation purification system; where the gas purification unit is operative to separate carbon dioxide from other contaminants present in the flue gas stream; and where the gas purification unit is operative to recycle the contaminants to the chemical looping system in the form of a vent gas that provides lift for reactants in the reducer.

  4. Efficient and Safe Chemical Gas Generators with Nanocomposite Reactive Materials

    Science.gov (United States)

    2015-11-30

    2015 Approved for Public Release; Distribution Unlimited Final Report: Efficient and Safe Chemical Gas Generators with Nanocomposite Reactive Materials...Research Office P.O. Box 12211 Research Triangle Park, NC 27709-2211 Energetic materials, gas generators, nanoenergetics REPORT DOCUMENTATION PAGE 11...Building, Room 209 El Paso, TX 79968 -0587 12-Sep-2015 ABSTRACT Final Report: Efficient and Safe Chemical Gas Generators with Nanocomposite Reactive

  5. Chemical looping reforming of generator gas

    Energy Technology Data Exchange (ETDEWEB)

    Mendiara, T.; Jensen, Anker; Glarborg, P.

    2010-02-15

    The main objective of this work is to investigate the carbon deposition during reforming of hydrocarbons in a Chemical Looping Reformer (CLR). This knowledge is needed to asses the viability of the CLR technology in reforming tar from biomass gasification preserving lighter hydrocarbons and minimizing the carbon formation during the process. Two different setups were used to test the reactivity of the different samples in the conditions of interest for the tar reforming process: 1) Fixed bed flow reactor (FR), and 2) Thermogravimetric analyzer (TGA). In the experiments, the gas atmosphere was switched from reducing to oxidizing atmosphere in every cycle. During the oxidizing cycle, the carrier was regenerated using a mixture of oxygen and nitrogen. Four different oxygen carriers based on nickel (Ni40 and Ni60), manganese (Mn) and ilmenite (Fe) were tested. In the tests, toluene was used to simulate the tars. The Fe and the Mn carrier reacted to a small extent with methane at the highest temperature studied, 800 degrees C. The Ni-carriers did not react at 600 degrees C at first, but they showed some reactivity after having been activated at the higher temperature. Carbon formation occurred with the Ni-carriers, more so with the Ni60 than the Ni40. Ni40, Mn and Fe were activated at the higher temperature. However, Fe showed only low capacity. Ni60 showed no capability of tar reforming. Ni40 showed a high tendency to carbon formation at 800 degrees C, but the formation could be lowered by changing some parameters. Mn formed almost no carbon. Ni40 and Mn were chosen for further studies. Carbon deposition occurred for both Ni40 and Mn, but the amount deposited for Ni40 was about 10 times bigger. Ni40 reacted with the methane and toluene only at 800 degrees C. The conversion over Mn was not as big as for toluene alone. Carbon was formed from carbon monoxide on the Ni40 carrier and on the Mn, but to a much less extent on the latter one. The presence of hydrogen decreased

  6. Chemical Vapour Deposition of Gas Sensitive Metal Oxides

    OpenAIRE

    Stella Vallejos; Francesco Di Maggio; Tahira Shujah; Chris Blackman

    2016-01-01

    This article presents a review of recent research efforts and developments for the fabrication of metal-oxide gas sensors using chemical vapour deposition (CVD), presenting its potential advantages as a materials synthesis technique for gas sensors along with a discussion of their sensing performance. Thin films typically have poorer gas sensing performance compared to traditional screen printed equivalents, attributed to reduced porosity, but the ability to integrate materials directly with ...

  7. Effect of ozone gas processing on physical and chemical properties ...

    African Journals Online (AJOL)

    Purpose: To investigate the effects of ozone treatment on chemical and physical properties of wheat. (Triticum aestivum L.) gluten, glutenin and gliadin. Methods: Wheat proteins isolated from wheat flour were treated with ozone gas. The physical and chemical properties of gluten proteins were investigated after treatment ...

  8. Effect of ozone gas processing on physical and chemical properties ...

    African Journals Online (AJOL)

    Purpose: To investigate the effects of ozone treatment on chemical and physical properties of wheat (Triticum aestivum L.) gluten, glutenin and gliadin. Methods: Wheat proteins isolated from wheat flour were treated with ozone gas. The physical and chemical properties of gluten proteins were investigated after treatment ...

  9. Chemical Gas Sensors for Aerospace Applications

    Science.gov (United States)

    Hunter, Gary W.; Liu, C. C.

    1998-01-01

    Chemical sensors often need to be specifically designed (or tailored) to operate in a given environment. It is often the case that a chemical sensor that meets the needs of one application will not function adequately in another application. The more demanding the environment and specialized the requirement, the greater the need to adapt exiting sensor technologies to meet these requirements or, as necessary, develop new sensor technologies. Aerospace (aeronautic and space) applications are particularly challenging since often these applications have specifications which have not previously been the emphasis of commercial suppliers. Further, the chemical sensing needs of aerospace applications have changed over the years to reflect the changing emphasis of society. Three chemical sensing applications of particular interest to the National Aeronautics and Space Administration (NASA) which illustrate these trends are launch vehicle leak detection, emission monitoring, and fire detection. Each of these applications reflects efforts ongoing throughout NASA. As described in NASA's "Three Pillars for Success", a document which outlines NASA's long term response to achieve the nation's priorities in aerospace transportation, agency wide objectives include: improving safety and decreasing the cost of space travel, significantly decreasing the amount of emissions produced by aeronautic engines, and improving the safety of commercial airline travel. As will be discussed below, chemical sensing in leak detection, emission monitoring, and fire detection will help enable the agency to meet these objectives. Each application has vastly different problems associated with the measurement of chemical species. Nonetheless, the development of a common base technology can address the measurement needs of a number of applications.

  10. Gas turbines

    Energy Technology Data Exchange (ETDEWEB)

    Farahan, E.; Eudaly, J.P.

    1978-10-01

    This evaluation provides performance and cost data for commercially available simple- and regenerative-cycle gas turbines. Intercooled, reheat, and compound cycles are discussed from theoretical basis only, because actual units are not currently available, except on a special-order basis. Performance characteristics investigated include unit efficiency at full-load and off-design conditions, and at rated capacity. Costs are tabulated for both simple- and regenerative-cycle gas turbines. The output capacity of the gas turbines investigated ranges from 80 to 134,000 hp for simple units and from 12,000 to 50,000 hp for regenerative units.

  11. Further chemical studies on controlling gas hydrate formation

    Energy Technology Data Exchange (ETDEWEB)

    Kelland, M.A.; Svartaas, T.M.; Dybvik, L.A. [Rogalandsforskning, Stavanger (Norway)

    1995-03-01

    Gas hydrates are clathrates in which water molecules form a hydrogen bonded network enclosing roughly spherical cavities that are filled with gas molecules. They are a menace to the oil industry in several areas, one example being their potential blocking of production lines and processing equipment. This paper reviews new technology for combating the problem. Natural gas hydrates form in several structures depending on the gas molecules, their size relative to the cavity, and the relative stability of the structures. At high pressures, gas hydrates can be stable well above the melting point of ice. Pipeline blocking can be overcome in many ways: (1) insulate the pipeline, (2) reduce pressure, (3) remove water, (4) use chemicals. These techniques are expensive. Today only thermodynamic inhibitors such as methanol or ethylene glycol are used, but cheaper methods are sought for. Kinetic Inhibitors are chemicals able to (1) delay hydrate nucleation, or (2) delay hydrate crystal growth. Anti-Agglomerators are chemicals able to prevent agglomeration of hydrates. The suitability of the various inhibitor types are discussed. It is concluded from laboratory tests that the best kinetic inhibitors are chemicals (5000 ppm) which prevent hydrate nucleation for several days at ca. 10{sup o}C subcooling, or chemicals that delay visual hydrate growth for 24 hrs at 10 {sup o}C subcooling. The best anti-agglomerators are chemicals preventing agglomeration at 30-40% water cuts at from 3{sup o}C upwards and so far tested in the pressure range 40-95 bar. 5 refs., 18 figs.

  12. Chemical composition and in vitro gas production of vetch ( Vicia ...

    African Journals Online (AJOL)

    Chemical composition and in vitro gas production of vetch (Vicia sativa) and some browse and grass species from northern Ethiopia were investigated. Vetch (fresh cut) was sampled in September and vetch hay samples were taken in October both during the early dry period. Samples of the browse and grass species were ...

  13. Chemical Composition, in situ Degradability and in vitro Gas ...

    African Journals Online (AJOL)

    This study investigated the quality profile of tagasaste forage harvested at different re-growth stages by measuring the chemical composition, in situ degradability and in vitro gas production. Tagasaste re-growths after one year of establishment was harvested and the re-growths starting from the main rainy season (July) was ...

  14. Zirconia-based solid state chemical gas sensors

    CERN Document Server

    Zhuiykov, S

    2000-01-01

    This paper presents an overview of chemical gas sensors, based on solid state technology, that are sensitive to environmental gases, such as O sub 2 , SO sub x , NO sub x , CO sub 2 and hydrocarbons. The paper is focussed on performance of electrochemical gas sensors that are based on zirconia as a solid electrolyte. The paper considers sensor structures and selection of electrode materials. Impact of interfaces on sensor performance is discussed. This paper also provides a brief overview of electrochemical properties of zirconia and their effect on sensor performance. Impact of auxiliary materials on sensors performance characteristics, such as sensitivity, selectivity, response time and recovery time, is also discussed. Dual gas sensors that can be applied for simultaneous monitoring of the concentration of both oxygen and other gas phase components, are briefly considered

  15. Chemical Vapour Deposition of Gas Sensitive Metal Oxides

    Directory of Open Access Journals (Sweden)

    Stella Vallejos

    2016-03-01

    Full Text Available This article presents a review of recent research efforts and developments for the fabrication of metal-oxide gas sensors using chemical vapour deposition (CVD, presenting its potential advantages as a materials synthesis technique for gas sensors along with a discussion of their sensing performance. Thin films typically have poorer gas sensing performance compared to traditional screen printed equivalents, attributed to reduced porosity, but the ability to integrate materials directly with the sensor platform provides important process benefits compared to competing synthetic techniques. We conclude that these advantages are likely to drive increased interest in the use of CVD for gas sensor materials over the next decade, whilst the ability to manipulate deposition conditions to alter microstructure can help mitigate the potentially reduced performance in thin films, hence the current prospects for use of CVD in this field look excellent.

  16. Gas-grain chemical modeling of dynamical dark cloud environments

    Science.gov (United States)

    Garrod, R.; Herbst, E.

    Whilst many dark cloud chemical models exist, the vast majority deal exclusively with the gas phase component, or merely approximate the dust grain surface chemistry by fixing accretion rates to produce grain mantle abundances in line with expected values. However, surface chemistry is increasingly being invoked as a solution to the problems of gas phase-only models; methanol production in dark clouds may be a case in point. The Ohio State University gas-grain code has been used for some years to model explicitly the reactions of grain surface-based species, to produce fully time-dependent coupled gas and grain chemistries. This has allowed consideration to be given to the physical processes which occur on dust grain surfaces, under physical conditions appropriate to the interstellar medium, and how these impact on gas phase abundances. Previously the OSU code has been restricted to static dark clouds. This static case has been studied in many publications. We now introduce dynamics to the model, allowing for time-and depth-dependent density and visual extinction changes, as well as moderate temperature variations. The completion of the model to become a multi-point dynamical chemical code is particularly pertinent in the light of recent observational evidence of small-scale density structure in the ISM. Hence, we apply the code to a number of physical situations including: pre-stellar core collapse, hot cores, and transient dark cloud cores. We also introduce mechanisms for gas phase molecular self-shielding so that photodissociation regions may be modeled with this comprehensive approach.

  17. Flexible Graphene-Based Wearable Gas and Chemical Sensors.

    Science.gov (United States)

    Singh, Eric; Meyyappan, M; Nalwa, Hari Singh

    2017-10-11

    Wearable electronics is expected to be one of the most active research areas in the next decade; therefore, nanomaterials possessing high carrier mobility, optical transparency, mechanical robustness and flexibility, lightweight, and environmental stability will be in immense demand. Graphene is one of the nanomaterials that fulfill all these requirements, along with other inherently unique properties and convenience to fabricate into different morphological nanostructures, from atomically thin single layers to nanoribbons. Graphene-based materials have also been investigated in sensor technologies, from chemical sensing to detection of cancer biomarkers. The progress of graphene-based flexible gas and chemical sensors in terms of material preparation, sensor fabrication, and their performance are reviewed here. The article provides a brief introduction to graphene-based materials and their potential applications in flexible and stretchable wearable electronic devices. The role of graphene in fabricating flexible gas sensors for the detection of various hazardous gases, including nitrogen dioxide (NO 2 ), ammonia (NH 3 ), hydrogen (H 2 ), hydrogen sulfide (H 2 S), carbon dioxide (CO 2 ), sulfur dioxide (SO 2 ), and humidity in wearable technology, is discussed. In addition, applications of graphene-based materials are also summarized in detecting toxic heavy metal ions (Cd, Hg, Pb, Cr, Fe, Ni, Co, Cu, Ag), and volatile organic compounds (VOCs) including nitrobenzene, toluene, acetone, formaldehyde, amines, phenols, bisphenol A (BPA), explosives, chemical warfare agents, and environmental pollutants. The sensitivity, selectivity and strategies for excluding interferents are also discussed for graphene-based gas and chemical sensors. The challenges for developing future generation of flexible and stretchable sensors for wearable technology that would be usable for the Internet of Things (IoT) are also highlighted.

  18. Vehicle exhaust gas chemical sensors using acoustic wave resonators

    Energy Technology Data Exchange (ETDEWEB)

    Cernosek, R.W.; Small, J.H.; Sawyer, P.S.; Bigbie, J.R. [Sandia National Labs., Albuquerque, NM (United States); Anderson, M.T. [3M Industrial and Consumer Sector Research Lab., St. Paul, MN (United States)

    1998-03-01

    Under Sandia`s Laboratory Directed Research and Development (LDRD) program, novel acoustic wave-based sensors were explored for detecting gaseous chemical species in vehicle exhaust streams. The need exists for on-line, real-time monitors to continuously analyze the toxic exhaust gases -- nitrogen oxides (NOx), carbon monoxide (CO), and hydrocarbons (HC) -- for determining catalytic converter efficiency, documenting compliance to emission regulations, and optimizing engine performance through feedback control. In this project, the authors adapted existing acoustic wave chemical sensor technology to the high temperature environment and investigated new robust sensor materials for improving gas detection sensitivity and selectivity. This report describes one new sensor that has potential use as an exhaust stream residual hydrocarbon monitor. The sensor consists of a thickness shear mode (TSM) quartz resonator coated with a thin mesoporous silica layer ion-exchanged with palladium ions. When operated at temperatures above 300 C, the high surface area film catalyzes the combustion of the hydrocarbon vapors in the presence of oxygen. The sensor acts as a calorimeter as the exothermic reaction slightly increases the temperature, stressing the sensor surface, and producing a measurable deviation in the resonator frequency. Sensitivities as high as 0.44 (ppm-{Delta}f) and (ppm-gas) have been measured for propylene gas, with minimum detectable signals of < 50 ppm of propylene at 500 C.

  19. Modular approach to analysis of chemically recuperated gas turbine cycles

    Energy Technology Data Exchange (ETDEWEB)

    Carcasci, C.; Facchini, B. [University of Florence, `Sergio Stecco` (Italy). Dept. of Energy Engineering; Harvey, S. [Chalmers Institute of Technology, Goeteberg (Sweden). Dept. of Heat and Power Technology

    1998-12-31

    Current research programmes such as the CAGT programme investigate the opportunity for advanced power generation cycles based on state-of-the-art aeroderivative gas turbine technology. Such cycles would be primarily aimed at intermediate duty applications. Compared to industrial gas turbines, aeroderivatives offer high simple cycle efficiency, and the capability to start quickly and frequently without a significant maintenance cost penalty. A key element for high system performance is the development of improved heat recovery systems, leading to advanced cycles such as the humid air turbine (HAT) cycle, the chemically recuperated gas turbine (CRGT) cycle and the Kalina combined cycle. When used in combination with advanced technologies and components, screening studies conducted by research programmes such as the CAGT programme predict that such advanced cycles could theoretically lead to net cycle efficiencies exceeding 60%. In this paper, the authors present the application of the modular approach to cycle simulation and performance predictions of CRGT cycles. The paper first presents the modular simulation code concept and the main characteristics of CRGT cycles. The paper next discusses the development of the methane-steam reformer unit model used for the simulations. The modular code is then used to compute performance characteristics of a simple CRGT cycle and a reheat CRGT cycle, both based on the General Electric LM6000 aeroderivative gas turbine. (author)

  20. Measurement of gas transport properties for chemical vapor infiltration

    Energy Technology Data Exchange (ETDEWEB)

    Starr, T.L.; Hablutzel, N. [Georgia Inst. of Tech., Atlanta, GA (United States). School of Materials Science and Engineering

    1996-12-01

    In the chemical vapor infiltration (CVI) process for fabricating ceramic matrix composites (CMCs), transport of gas phase reactant into the fiber preform is a critical step. The transport can be driven by pressure or by concentration. This report describes methods for measuring this for CVI preforms and partially infiltrated composites. Results are presented for Nicalon fiber cloth layup preforms and composites, Nextel fiber braid preforms and composites, and a Nicalon fiber 3-D weave composite. The results are consistent with a percolating network model for gas transport in CVI preforms and composites. This model predicts inherent variability in local pore characteristics and transport properties, and therefore, in local densification during processing; this may lead to production of gastight composites.

  1. MEMS device for mass market gas and chemical sensors

    Science.gov (United States)

    Kinkade, Brian R.; Daly, James T.; Johnson, Edward A.

    2000-08-01

    Gas and chemical sensors are used in many applications. Industrial health and safety monitors allow companies to meet OSHA requirements by detecting harmful levels of toxic or combustible gases. Vehicle emissions are tested during annual inspections. Blood alcohol breathalizers are used by law enforcement. Refrigerant leak detection ensures that the Earth's ozone layer is not being compromised. Industrial combustion emissions are also monitored to minimize pollution. Heating and ventilation systems watch for high levels of carbon dioxide (CO2) to trigger an increase in fresh air exchange. Carbon monoxide detectors are used in homes to prevent poisoning from poor combustion ventilation. Anesthesia gases are monitored during a patients operation. The current economic reality is that two groups of gas sensor technologies are competing in two distinct existing market segments - affordable (less reliable) chemical reaction sensors for consumer markets and reliable (expensive) infrared (IR) spectroscopic sensors for industrial, laboratory, and medical instrumentation markets. Presently high volume mass-market applications are limited to CO detectros and on-board automotive emissions sensors. Due to reliability problems with electrochemical sensor-based CO detectors there is a hesitancy to apply these sensors in other high volume applications. Applications such as: natural gas leak detection, non-invasive blood glucose monitoring, home indoor air quality, personal/portable air quality monitors, home fire/burnt cooking detector, and home food spoilage detectors need a sensor that is a small, efficient, accurate, sensitive, reliable, and inexpensive. Connecting an array of these next generation gas sensors to wireless networks that are starting to proliferate today creates many other applications. Asthmatics could preview the air quality of their destinations as they venture out into the day. HVAC systems could determine if fresh air intake was actually better than the air

  2. Chemical potential evaluation in NVT lattice-gas simulations.

    Science.gov (United States)

    Pazzona, Federico G; Demontis, Pierfranco; Suffritti, Giuseppe B

    2012-10-21

    The discrete nature of the partition function of a lattice-gas system can be exploited to build an efficient strategy for the evaluation of the chemical potential of a periodic lattice-gas with arbitrarily ranged interactions during a simulation in the canonical ensemble, with the need of no additional sampling as it were required instead by the Widom insertion/deletion approach. The present method is based on the main concepts of the small system grand ensemble [for details, see G. Soto-Campos, D. S. Corti, and H. Reiss, J. Chem. Phys. 108, 2563 (1998)], whose key idea is to study the properties of a sublattice (called small system) and of its complementary (the reservoir sublattice) as they were two separated subsystems. The accuracy of the measured chemical potential can be further improved by artificially "restoring" the missing connections among the reservoir sublattice sites located at the boundaries with the small system. We first illustrate the theory and then we compare μVT with NVT simulation results on several test systems.

  3. ANALYSIS AND IDENTIFICATION SPIKING CHEMICAL COMPOUNDS RELATED TO CHEMICAL WEAPON CONVENTION IN UNKNOWN WATER SAMPLES USING GAS CHROMATOGRAPHY AND GAS CHROMATOGRAPHY ELECTRON IONIZATION MASS SPECTROMETRY

    Directory of Open Access Journals (Sweden)

    Harry Budiman

    2010-06-01

    Full Text Available The identification and analysis of chemical warfare agents and their degradation products is one of important component for the implementation of the convention. Nowadays, the analytical method for determination chemical warfare agent and their degradation products has been developing and improving. In order to get the sufficient analytical data as recommended by OPCW especially in Proficiency Testing, the spiking chemical compounds related to Chemical Weapon Convention in unknown water sample were determined using two different techniques such as gas chromatography and gas chromatography electron-impact ionization mass spectrometry. Neutral organic extraction, pH 11 organic extraction, cation exchanged-methylation, triethylamine/methanol-silylation were performed to extract the chemical warfare agents from the sample, before analyzing with gas chromatography. The identification of chemical warfare agents was carried out by comparing the mass spectrum of chemicals with mass spectrum reference from the OPCW Central Analytical Database (OCAD library while the retention indices calculation obtained from gas chromatography analysis was used to get the confirmation and supported data of  the chemical warfare agents. Diisopropyl methylphosphonate, 2,2-diphenyl-2-hydroacetic acid and 3-quinuclidinol were found in unknown water sample. Those chemicals were classified in schedule 2 as precursor or reactant of chemical weapons compound in schedule list of Chemical Weapon Convention.   Keywords: gas chromatography, mass spectrometry, retention indices, OCAD library, chemical warfare agents

  4. Pollution control in oil, gas and chemical plants

    CERN Document Server

    Bahadori, Alireza

    2014-01-01

    This unique book covers the fundamental requirements for air, soil, noise and water pollution control in oil and gas refineries, chemical plants, oil terminals, petrochemical plants, and related facilities. Coverage includes design and operational considerations relevant to critical systems such as monitoring of water pollution control, equipment, and engineering techniques as well as engineering/technological methods related to soil, noise and air pollution control. This book also: ·         Covers a diverse list of pollution control strategies important to practitioners, ranging from waste water gathering systems and oil/suspended solids removal to chemical flocculation units, biological treatment, and sludge handling and treatment ·         Provides numerous step-by-step tutorials that orient both entry level and veteran engineers to the essentials of pollution control methods in petroleum and chemical industries ·         Includes a comprehensive glossary providing readers with...

  5. On radial gas flows, the Galactic Bar and chemical evolution in the Galactic Disc

    OpenAIRE

    Portinari, L.; Chiosi, C.

    2000-01-01

    We develop a numerical chemical model allowing for radial flows of gas, with the aim to analyse the possible role of gas flows in the chemical evolution of the Galactic Disc. The dynamical effects of the Galactic Bar on the radial gas profile of the Disc are especially addressed.

  6. Mass Accommodation and Chemical Reaction at Gas-Liquid Interfaces

    Science.gov (United States)

    Kolb, C. E.; Williams, L. R.; Jayne, J. T.; Worsnop, D. R.; Davidovits, P.

    2006-12-01

    The uptake of trace gases by liquid surfaces is an important process that initiates the heterogeneous chemistry of liquid aerosol particles and cloud droplets. We have recently reviewed the available experimental data for liquid aqueous and aqueous/organic surfaces (1). The review highlights some inconsistencies among experimental results and between experimental results and molecular dynamics simulations. Some of these inconsistencies will be evaluated and discussed in terms of the physics of liquid interfaces, the limitations of various experimental techniques and the disparate scales of laboratory experiments and current molecular simulations (1, 2). 1. Davidovits, P., Kolb, C. E., Williams, L. R., Jayne, J. T., Worsnop, D. R., 2006, Mass Accommodation and Chemical Reactions at Gas Liquid Interfaces, Chem. Rev. 106, 1323-1354. 2. Garrett, B. C., Schenter, G. K., Morita, A., 2006, Molecular Simulations of Molecules across the Liquid/Vapor Interface of Water, Chem. Rev. 106, 1355-1374.

  7. Conversion chimique du gaz naturel Chemical Conversion of Natural Gas

    Directory of Open Access Journals (Sweden)

    Chaumette P.

    2006-11-01

    Full Text Available Dans cet article sont passés en revue les travaux de recherche et développement et les procédés existants dans le domaine de la conversion chimique du gaz naturel. Les deux voies possibles, conversion directe du méthane et conversion indirecte, via le gaz de synthèse, sont présentées. Tant la préparation d'hydrocarbures utilisables comme carburants, que celle des composés de bases pour la pétrochimie ou la chimie sont évoquées. L'accent est mis sur l'étape clé du développement de chaque procédé qui, selon le produit visé, consiste en la mise au point d'un nouveau système catalytique, en un changement de la technologie du réacteur, ou en la mise au point d'une section fractionnement moins complexe. This article reviews the research and development work and the existing processes in the area of chemical conversion of natural gas. The two possible methods, direct conversion of methane and indirect conversion via synthesis gas, are discussed. The preparation of hydrocarbons that can be used as fuels and the production of building blocks for the petrochemical and chemical industries are both dealt with. The accent is placed on the key step in developing each process. Depending on the target product, this key step consists in working out a new catalytic system, changing reactor technology or engineering a less complex fractionation section.

  8. DEVELOPMENT OF ALTERNATIVE FUELS AND CHEMICALS FROM SYNTHESIS GAS

    Energy Technology Data Exchange (ETDEWEB)

    Peter J. Tijrn

    2003-05-31

    This Final Report for Cooperative Agreement No. DE-FC22-95PC93052, the ''Development of Alternative Fuels and Chemicals from Synthesis Gas,'' was prepared by Air Products and Chemicals, Inc. (Air Products), and covers activities from 29 December 1994 through 31 July 2002. The overall objectives of this program were to investigate potential technologies for the conversion of synthesis gas (syngas), a mixture primarily of hydrogen (H{sub 2}) and carbon monoxide (CO), to oxygenated and hydrocarbon fuels and industrial chemicals, and to demonstrate the most promising technologies at the LaPorte, Texas Alternative Fuels Development Unit (AFDU). Laboratory work was performed by Air Products and a variety of subcontractors, and focused on the study of the kinetics of production of methanol and dimethyl ether (DME) from syngas, the production of DME using the Liquid Phase Dimethyl Ether (LPDME{trademark}) Process, the conversion of DME to fuels and chemicals, and the production of other higher value products from syngas. Four operating campaigns were performed at the AFDU during the performance period. Tests of the Liquid Phase Methanol (LPMEOH{trademark}) Process and the LPDME{trademark} Process were made to confirm results from the laboratory program and to allow for the study of the hydrodynamics of the slurry bubble column reactor (SBCR) at a significant engineering scale. Two campaigns demonstrated the conversion of syngas to hydrocarbon products via the slurry-phase Fischer-Tropsch (F-T) process. Other topics that were studied within this program include the economics of production of methyl tert-butyl ether (MTBE), the identification of trace components in coal-derived syngas and the means to economically remove these species, and the study of systems for separation of wax from catalyst in the F-T process. The work performed under this Cooperative Agreement has continued to promote the development of technologies that use clean syngas produced

  9. The role of OH in the chemical evolution of protoplanetary disks. II. Gas-rich environments

    NARCIS (Netherlands)

    Chaparro Molano, G.; Kamp, I.

    2012-01-01

    Context. We present a method for including gas extinction of cosmic-ray-generated UV photons in chemical models of the midplane of protoplanetary disks, focusing on its implications on ice formation and chemical evolution. Aims: Our goal is to improve on chemical models by treating cosmic rays, the

  10. The role of OH in the chemical evolution of protoplanetary disks : II. Gas-rich environments

    NARCIS (Netherlands)

    Chaparro-Molano, German; Kamp, I.

    2012-01-01

    Context. We present a method for including gas extinction of cosmic-ray-generated UV photons in chemical models of the midplane of protoplanetary disks, focusing on its implications on ice formation and chemical evolution. Aims. Our goal is to improve on chemical models by treating cosmic rays, the

  11. Quantum chemical studies of trace gas adsorption on ice nanoparticles

    Science.gov (United States)

    Schrems, Otto; Ignatov, Stanislav K.; Gadzhiev, Oleg B.; Masunov, Artem E.

    2013-04-01

    We have investigated the interaction of atmospheric trace gases with crystalline water ice particles of nanoscale size by modern quantum chemical methods. Small ice particles which can be formed in different altitudes play an important role in chemistry and physics of the Earth atmosphere. Knowledge about the uptake and incorporation of atmospheric trace gases in ice particles as well as their interactions with water molecules is very important for the understanding of processes at the air/ice interface. The interaction of the atmospheric trace gases with atmospheric ice nanoparticles is also an important issue for the development of modern physicochemical models. Usually, the interactions between trace gases and small particles considered theoretically apply small-size model complexes or the surface models representing only fragments of the ideal surface. Ice particles consisting of 48, 72, 216 and 270 water molecules with a distorted structure of hexagonal water ice Ih were studied using the new SCC-DFTBA method combining well the advantages of the DFT theory and semiempirical methods of quantum chemistry. The largest clusters correspond to the minimal nanoparticle size which are considered to be crystalline as determined experimentally. The clusters up to (H2O)72 were studied at the B3LYP/6-31++G(d,p) and B3LYP/6-311++G(2d,2p) levels. The larger clusters were studied using DFTBA and DFTB+ methods. Several adsorption complexes for the (H2O)270 water ice cluster were optimized at the RI-BLYP/6-31+G(d) theory level to verify the DFTB+ results. Trace gas molecules were coordinated on different sites of the nanoparticles corresponding to different ice Ih crystal planes: (0001), (10-10), (11-20). As atmospheric trace gases we have chosen CO, CO2, HCO*, HCOH*, HCHO, HCOOH and (HCO)2. which are the possible products and intermediates of the UV photolysis of organic molecules such as HCHCHO adsorbed on the ice surface. The structures of the corresponding coordination

  12. Opel 2.0-l biturbo diesel engine with two-stage intercooling; 2,0-L-Biturbo-Dieselmotor von Opel mit Zweistufen-Ladeluftkuehlung

    Energy Technology Data Exchange (ETDEWEB)

    Wartha, Jens; Westin, Fredrik; De Marco, Mirco [GM Powertrain Europe, Turin (Italy); Leu, Alexander [Adam Opel AG, Ruesselsheim (Germany)

    2012-07-15

    Opel has developed a 2.0-l biturbo diesel engine that features two-stage charging, piezo injection technology and a closed-loop combustion system for low emissions and a good fuel economy. All these measures in combination with a first time applied two-stage intercooling lead to high power and torque density and allow a further improvement in transient response. (orig.)

  13. Mass transfer and chemical reaction in gas-liquid-liquid systems.

    NARCIS (Netherlands)

    Brilman, Derk Willem Frederik

    1998-01-01

    Gas-liquid-liquid reaction systems may be encountered in several important fields of application as e.g. hydroformylation, alkylation, carboxylation, polymerisation, hydrometallurgy, biochemical processes and fine chemicals manufacturing. However, the reaction engineering aspects of these systems

  14. Physical and chemical characterization of particles in producer gas

    DEFF Research Database (Denmark)

    Hindsgaul, Claus; Henriksen, Ulrik B.; Bentzen, Jens Dall

    2000-01-01

    ) engines fueled by the gas. The implications of the findings on engine wear are discussed.The majority (85%) of the total particulate matter (TPM) mass was identified, using scanning electron microscopy (SEM), as mono-sized spherical primary soot particles with diameters of 70 nm. Soot agglomerates, up...... to 30 um were present. 77% of the TPM was determined, by thermogravimetric analysis (TGA) to be carbon structures.The dichloromethane (DCM)-soluble fraction (11% of the TPM) was extracted, separated into fractions of varying polarities using adsorption column chromatography and analyzed using gas...

  15. Comparison of chemical-use between hydraulic fracturing, acidizing, and routine oil and gas development.

    Science.gov (United States)

    Stringfellow, William T; Camarillo, Mary Kay; Domen, Jeremy K; Shonkoff, Seth B C

    2017-01-01

    The potential hazards and risks associated with well-stimulation in unconventional oil and gas development (hydraulic fracturing, acid fracturing, and matrix acidizing) have been investigated and evaluated and federal and state regulations requiring chemical disclosure for well-stimulation have been implemented as part of an overall risk management strategy for unconventional oil and gas development. Similar evaluations for chemicals used in other routine oil and gas development activities, such as maintenance acidizing, gravel packing, and well drilling, have not been previously conducted, in part due to a lack of reliable information concerning on-field chemical-use. In this study, we compare chemical-use between routine activities and the more closely regulated well-stimulation activities using data collected by the South Coast Air Quality Monitoring District (SCAQMD), which mandates the reporting of both unconventional and routine on-field chemical-use for parts of Southern California. Analysis of this data shows that there is significant overlap in chemical-use between so-called unconventional activities and routine activities conducted for well maintenance, well-completion, or rework. A comparison within the SCAQMD shows a significant overlap between both types and amounts of chemicals used for well-stimulation treatments included under State mandatory-disclosure regulations and routine treatments that are not included under State regulations. A comparison between SCAQMD chemical-use for routine treatments and state-wide chemical-use for hydraulic fracturing also showed close similarity in chemical-use between activities covered under chemical disclosure requirements (e.g. hydraulic fracturing) and many other oil and gas field activities. The results of this study indicate regulations and risk assessments focused exclusively on chemicals used in well-stimulation activities may underestimate potential hazard or risk from overall oil field chemical-use.

  16. Chemical reactivity of the compressed noble gas atoms and their ...

    Indian Academy of Sciences (India)

    Attempts are made to gain insights into the effect of confinement of noble gas atoms on their various reactivity indices. Systems become harder, less polarizable and difficult to excite as the compression increases. Ionization also causes similar effects. A quantum fluid density functional technique is adopted in order to study ...

  17. Essentials of water systems design in the oil, gas, and chemical processing industries

    CERN Document Server

    Bahadori, Alireza; Boyd, Bill

    2013-01-01

    Essentials of Water Systems Design in the Oil, Gas and Chemical Processing Industries provides valuable insight for decision makers by outlining key technical considerations and requirements of four critical systems in industrial processing plants—water treatment systems, raw water and plant water systems, cooling water distribution and return systems, and fire water distribution and storage facilities. The authors identify the key technical issues and minimum requirements related to the process design and selection of various water supply systems used in the oil, gas, and chemical processing industries. This book is an ideal, multidisciplinary work for mechanical engineers, environmental scientists, and oil and gas process engineers.

  18. Alternative routes for the chemical industry regarding US shale gas

    Energy Technology Data Exchange (ETDEWEB)

    Kneissel, B. [Stratley AG, Koeln (Germany)

    2013-11-01

    Cracking ethane from wet shale gas in North America sets a bench mark to global ethylene production costs. Regarding very attractive ethane prices from extraction of low cost wet shale gas we suggest in North America ethylene production costs will roughly vary between 400 and 600 $/ t. As in other parts of the world, except Middle East, the availability of ethane seems to be more limited other sources for ethylene, such as methane, coal and biomass are investigated. Oxidative coupling of methane (OCM) has its limits and may only lead to competitive production costs for large scale operations. Coal converted to ethylene via calcium carbide and subsequent hydrogenation may hardly be a viable answer. Ethylene derived by dehydration of ethanol from fermentation of corn sugar may be an answer for very low crop prices. Further research on the conversion of methane with emphasis on its industrial implementation as a major carbon resource is recommended. (orig.)

  19. Gas-phase chemical kinetics: Three is the magic number

    Science.gov (United States)

    Skodje, Rex T.

    2017-11-01

    Although predicted many years ago, chemically reactive termolecular reactions were thought to be unimportant in defining the behaviour of combustion systems. Now, calculations have shown that such reactions between radicals and long-lived bimolecular complexes can actually play an important role in hydrogen combustion.

  20. Non-isothermal gas absorption with reversible chemical reaction

    NARCIS (Netherlands)

    Vas Bhat, R.D.; Swaaij, W.P.M. van; Benes, N.E.; Kuipers, J.A.M.; Versteeg, G.F.

    1997-01-01

    A fundamental description of non-isothermal mass transfer accompanied by a single reversible chemical reaction has been presented. The description is based on the Higbie penetration theory. Arrhenius type dependence of solubility, reaction rates and diffusivities on temperature has been assumed.

  1. Non-isothermal gas absorption with reversible chemical reaction.

    NARCIS (Netherlands)

    Vas bhat, R.D.; van Swaaij, Willibrordus Petrus Maria; Benes, Nieck Edwin; Kuipers, J.A.M.; Versteeg, Geert

    1997-01-01

    A fundamental description of non-isothermal mass transfer accompanied by a single reversible chemical reaction has been presented. The description is based on the Higbie penetration theory. Arrhenius type dependence of solubility, reaction rates and diffusivities on temperature has been assumed.

  2. PENGARUH PROSES PENGINTEGRASIAN PANAS TERHADAP KONVERSI AMONIAK PADA INTERCOOLER REAKTOR AMONIAK DENGAN ANALISIS EKSERGI DAN PINCH

    Directory of Open Access Journals (Sweden)

    Muhammad Djoni Bustan

    2012-02-01

    Full Text Available Amoniak merupakan salah satu senyawa penting yang banyak digunakan dalam industri kimia sebagai bahan baku dan produk. Salah satu unit pabrik amoniak yang dikaji membutuhkan gas alam sebesar 13.627 MMBTU sebagai bahan bakar (fuel dan 24.570 MMBTU sebagai bahan baku untuk memproduksi 1 ton amoniak cair. Belum optimalnya sistim pendinginan antar unggun (bed dan belum maksimalnya pemanfaatan panas hasil reaksi di reaktor amoniak menyebabkan konversi reaksi masih rendah. Analisis eksergi yang merupakan kombinasi antara Hukum Termodinamika I dan II,  digunakan untuk mengetahui titik- titik kehilangan panas yang paling tinggi, yaitu pada bed 1, bed 2, dan bed 3. Analisis pinch yang diterapkan pada reaktor tersebut dapat dibuat suatu sistem jaringan alat penukar panas yang baru pada ammonia converter, sehingga diperoleh konversi yang lebih baik.

  3. Metal-Organic Covalent Network Chemical Vapor Deposition for Gas Separation.

    Science.gov (United States)

    Boscher, Nicolas D; Wang, Minghui; Perrotta, Alberto; Heinze, Katja; Creatore, Mariadriana; Gleason, Karen K

    2016-09-01

    The chemical vapor deposition (CVD) polymerization of metalloporphyrin building units is demonstrated to provide an easily up-scalable one-step method toward the deposition of a new class of dense and defect-free metal-organic covalent network (MOCN) layers. The resulting hyper-thin and flexible MOCN layers exhibit outstanding gas-separation performances for multiple gas pairs. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. CHEMKIN-III: A FORTRAN chemical kinetics package for the analysis of gas-phase chemical and plasma kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Kee, R.J.; Rupley, F.M.; Meeks, E.; Miller, J.A.

    1996-05-01

    This document is the user`s manual for the third-generation CHEMKIN package. CHEMKIN is a software package whose purpose is to facilitate the formation, solution, and interpretation of problems involving elementary gas-phase chemical kinetics. It provides a flexible and powerful tool for incorporating complex chemical kinetics into simulations of fluid dynamics. The package consists of two major software components: an Interpreter and a Gas-Phase Subroutine Library. The Interpreter is a program that reads a symbolic description of an elementary, user-specified chemical reaction mechanism. One output from the Interpreter is a data file that forms a link to the Gas-Phase Subroutine Library. This library is a collection of about 100 highly modular FORTRAN subroutines that may be called to return information on equations of state, thermodynamic properties, and chemical production rates. CHEMKIN-III includes capabilities for treating multi-fluid plasma systems, that are not in thermal equilibrium. These new capabilities allow researchers to describe chemistry systems that are characterized by more than one temperature, in which reactions may depend on temperatures associated with different species; i.e. reactions may be driven by collisions with electrons, ions, or charge-neutral species. These new features have been implemented in such a way as to require little or no changes to CHEMKIN implementation for systems in thermal equilibrium, where all species share the same gas temperature. CHEMKIN-III now has the capability to handle weakly ionized plasma chemistry, especially for application related to advanced semiconductor processing.

  5. Assessment and control of chemical risk from organic vapors for attendants in a gas station

    Directory of Open Access Journals (Sweden)

    Stephanie Ehmig Santillán

    2015-12-01

    Full Text Available This research comprises monitoring, assessment and recommendations for chemical risk originating from organic vapors (benzene, toluene and xylene of fuel (super and extra gasoline to which attendants at a gas station are exposed. Given the concentration measured of organic vapors (benzene, toluene and xylene the chemical risk to which attendants are exposed in the supply area is acceptable. Control measures are recommended to ensure healthy working conditions for gas station attendants and also to avoid occurrence of occupational diseases in the medium or long term

  6. Chemical treatment of wastewater from flue gas desulphurisation

    Directory of Open Access Journals (Sweden)

    Pasiecznik Iwona

    2017-01-01

    Full Text Available The article presents results of laboratory tests of removing boron and arsenium from non-ideal solutions using double-layered magnesium/aluminium hydroxides (Mg/Al Double-Layered Hydroxide – DLH produced with nitrate-chloride method. In research, wastewater from an installation for flue gas desulfurization was examined. Double-layered hydroxides are perfect absorbents for anionic compounds. The research proved high effectiveness of preparation with reference to arsenium, as well as confirmed the effect of presence of sulfatic and arsenate ions on the effectiveness of boron removal. On the basis of research on absorption kinetics a theoretical dose of DLH/NO3-Cl/M preparation was calculated and compared with a dose that ensures emimination of boron below the limit standarized by the national regulations. Application of double-layered magnesium/aluminium hydroxides for boron elimination from industrial wastewater requires significantly higher doses of preparation than those calculated in model investigations. It is due to the priority of removal of multivalent ions, such as sulfatic, arsenate or phosphate ions, by DLH/NO3-Cl/M.

  7. Chemical treatment of wastewater from flue gas desulphurisation

    Science.gov (United States)

    Pasiecznik, Iwona; Szczepaniak, Włodzimierz

    2017-11-01

    The article presents results of laboratory tests of removing boron and arsenium from non-ideal solutions using double-layered magnesium/aluminium hydroxides (Mg/Al Double-Layered Hydroxide - DLH) produced with nitrate-chloride method. In research, wastewater from an installation for flue gas desulfurization was examined. Double-layered hydroxides are perfect absorbents for anionic compounds. The research proved high effectiveness of preparation with reference to arsenium, as well as confirmed the effect of presence of sulfatic and arsenate ions on the effectiveness of boron removal. On the basis of research on absorption kinetics a theoretical dose of DLH/NO3-Cl/M preparation was calculated and compared with a dose that ensures emimination of boron below the limit standarized by the national regulations. Application of double-layered magnesium/aluminium hydroxides for boron elimination from industrial wastewater requires significantly higher doses of preparation than those calculated in model investigations. It is due to the priority of removal of multivalent ions, such as sulfatic, arsenate or phosphate ions, by DLH/NO3-Cl/M.

  8. Chemical reaction model for oil and gas generation from type 1 and type 2 kerogen

    Energy Technology Data Exchange (ETDEWEB)

    Braun, R.L.; Burnham, A.K.

    1993-06-01

    A global model for the generation of oil and gas from petroleum source rocks is presented. The model consists of 13 chemical species and 10 reactions, including an alternate-pathway mechanism for kerogen pyrolysis. Reaction rate parameters and stoichiometry coefficients determined from a variety of pyrolysis data are given for both type I and type II kerogen. Use of the chemical reaction model is illustrated for typical geologic conditions.

  9. Surface chemical reactions induced by molecules electronically-excited in the gas

    DEFF Research Database (Denmark)

    Petrunin, Victor V.

    2011-01-01

    We present a model suggesting high chemical activity of electronically-excited molecules colliding with an isolator surface. Initial photochemical event is accounted for as the result of molecular evolution on the electronically-excited potential energy surface (PES), where acceleration and align...... beams inducing the reaction can be used to distinguish the new process we try to investigate from chemical reactions induced by photoexcitation within adsorbed molecules and/or gas phase photolysis....

  10. Humidity independent mass spectrometry for gas phase chemical analysis via ambient proton transfer reaction

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Hongying; Huang, Guangming, E-mail: gmhuang@ustc.edu.cn

    2015-03-31

    Graphical abstract: Direct and humidity independent mass spectrometry analysis of gas phase chemicals could be achieved via ambient proton transfer ionization, ion intensity was found to be stable with humidity ranged from ∼10% to ∼100%. - Highlights: • A humidity independent mass spectrometric method for gas phase samples analysis. • A universal and good sensitivity method. • The method can real time identify plant released raw chemicals. - Abstract: In this work, a humidity independent mass spectrometric method was developed for rapid analysis of gas phase chemicals. This method is based upon ambient proton transfer reaction between gas phase chemicals and charged water droplets, in a reaction chamber with nearly saturate humidity under atmospheric pressure. The humidity independent nature enables direct and rapid analysis of raw gas phase samples, avoiding time- and sample-consuming sample pretreatments in conventional mass spectrometry methods to control sample humidity. Acetone, benzene, toluene, ethylbenzene and meta-xylene were used to evaluate the analytical performance of present method. The limits of detection for benzene, toluene, ethylbenzene and meta-xylene are in the range of ∼0.1 to ∼0.3 ppbV; that of benzene is well below the present European Union permissible exposure limit for benzene vapor (5 μg m{sup −3}, ∼1.44 ppbV), with linear ranges of approximately two orders of magnitude. The majority of the homemade device contains a stainless steel tube as reaction chamber and an ultrasonic humidifier as the source of charged water droplets, which makes this cheap device easy to assemble and facile to operate. In addition, potential application of this method was illustrated by the real time identification of raw gas phase chemicals released from plants at different physiological stages.

  11. Semiconductor device-based sensors for gas, chemical, and biomedical applications

    CERN Document Server

    Ren, Fan

    2011-01-01

    Sales of U.S. chemical sensors represent the largest segment of the multi-billion-dollar global sensor market, which includes instruments for chemical detection in gases and liquids, biosensors, and medical sensors. Although silicon-based devices have dominated the field, they are limited by their general inability to operate in harsh environments faced with factors such as high temperature and pressure. Exploring how and why these instruments have become a major player, Semiconductor Device-Based Sensors for Gas, Chemical, and Biomedical Applications presents the latest research, including or

  12. A Model for Gas Dynamics and Chemical Evolution of the Fornax Dwarf Spheroidal Galaxy

    Science.gov (United States)

    Yuan, Zhen

    We present an empirical model for the halo evolution, global gas dynamics and chemical evolution of Fornax, the brightest Milky Way (MW) dwarf spheroidal galaxy (dSph). Assuming a global star formation rate psi(t) = lambda*(t)[Mg( t)/M[solar masses

  13. Gas accretion as the origin of chemical abundance gradients in distant galaxies.

    Science.gov (United States)

    Cresci, G; Mannucci, F; Maiolino, R; Marconi, A; Gnerucci, A; Magrini, L

    2010-10-14

    It has recently been suggested that galaxies in the early Universe could have grown through the accretion of cold gas, and that this may have been the main driver of star formation and stellar mass growth. Because the cold gas is essentially primordial, it has a very low abundance of elements heavier than helium (referred to as metallicity). If funnelled to the centre of a galaxy, it will result in the central gas having an overall lower metallicity than gas further from the centre, because the gas further out has been enriched by supernovae and stellar winds, and not diluted by the primordial gas. Here we report chemical abundances across three rotationally supported star-forming galaxies at redshift z ≈ 3, only 2 Gyr after the Big Bang. We find 'inverse' gradients, with the central, star-forming regions having lower metallicities than less active ones, which is opposite to what is seen in local galaxies. We conclude that the central gas has been diluted by the accretion of primordial gas, as predicted by 'cold flow' models.

  14. Chemical dynamics in the gas phase: Time-dependent quantum mechanics of chemical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Gray, S.K. [Argonne National Laboratory, IL (United States)

    1993-12-01

    A major goal of this research is to obtain an understanding of the molecular reaction dynamics of three and four atom chemical reactions using numerically accurate quantum dynamics. This work involves: (i) the development and/or improvement of accurate quantum mechanical methods for the calculation and analysis of the properties of chemical reactions (e.g., rate constants and product distributions), and (ii) the determination of accurate dynamical results for selected chemical systems, which allow one to compare directly with experiment, determine the reliability of the underlying potential energy surfaces, and test the validity of approximate theories. This research emphasizes the use of recently developed time-dependent quantum mechanical methods, i.e. wave packet methods.

  15. CHEMICAL ANALYSIS OF DENSE-GAS EXTRACTS FROM LIME FLOWERS

    Directory of Open Access Journals (Sweden)

    Demyanenko DV

    2015-04-01

    apigenin glucoside. Total quantities of phenolic compounds in extracts obtained with Freons R32 and R410А were 1.29% and 0.90% respectively. Freon-ammoniac extracts (hexane, chloroform, ethylacetate and aqueous-alcoholic phases in total contained appreciable quantity of total phenolic BAS – 4.48%, among them 1.31 % was occupied by methoxycoumarins, which came into the hexane fraction. The Freon R410А modified by ammonia successfully extracted apigenin glucoside which was found in ethylacetate fraction in quantity of 0.78% that approximately 15 times exceeded content of this BAS in the extract obtained with non-modified Freon R32. Caffeic and p-cumaric acids with the total content of 0.50% (0.30+0.20% respectively were revealed only in ethylacetate phase of freon-ammoniac extract. Besides, in chloroform fraction of this extract it was found unidentified substance in quantity of 1.02%. In total after consequent processing of lime flowers with studied condensed gases and their mixtures combined extracts contained 6.75% of phenolic compounds. Supercritical СО2 was unable to take phenolic substances (this extract was previously analyzed by thin-layer chromatography and therefore was excluded from this work. Conclusions: Thus, some kinds of freons and also their mixtures modified with ammonia are promising extractive solvents for rather polar BAS of lime flowers, and consecutive infusion with different condensed gases allows to provide full processing of the specified herbal drug and to fractionate the substances different in their chemical composition and polarity.

  16. A unified approach to reheat in gas and steam turbine cycles

    Energy Technology Data Exchange (ETDEWEB)

    Lewins, J. [University of Cambridge (United Kingdom). Magdalene College

    2005-06-15

    A model of fluid behaviour is proposed for both air and steam in Joule, Brayton, and Rankine cycles by assuming that enthalpy is a function of temperature only. This enables reheat to be treated in a unified manner for both gas and steam turbines. Theorems for maximum power and maximum thermal efficiency are presented, with extensions to inter-cooling in gas turbines and afterburners in turbo-jet craft. (author)

  17. Gas separation performance of 6FDA-based polyimides with different chemical structures

    KAUST Repository

    Qiu, Wulin

    2013-10-01

    This work reports the gas separation performance of several 6FDA-based polyimides with different chemical structures, to correlate chemical structure with gas transport properties with a special focus on CO2 and CH 4 transport and plasticization stability of the polyimides membranes relevant to natural gas purification. The consideration of the other gases (He, O2 and N2) provided additional insights regarding effects of backbone structure on detailed penetrant properties. The polyimides studied include 6FDA-DAM, 6FDA-mPDA, 6FDA-DABA, 6FDA-DAM:DABA (3:2), 6FDA-DAM:mPDA (3:2) and 6FDA-mPDA:DABA (3:2). Both pure and binary gas permeation were investigated. The packing density, which is tunable by adjusting monomer type and composition of the various samples, correlated with transport permeability and selectivity. The separation performance of the polyimides for various gas pairs were also plotted for comparison to the upper bound curves, and it was found that this family of materials shows attractive performance. The CO 2 plasticization responses for the un-cross-linked polyimides showed good plasticization resistance to CO2/CH4 mixed gas with 10% CO2; however, only the cross-linked polyimides showed good plasticization resistance under aggressive gas feed conditions (CO 2/CH4 mixed gas with 50% CO2 or pure CO 2). For future work, asymmetric hollow fibers and carbon molecular sieve membranes based on the most attractive members of the family will be considered. © 2013 Elsevier Ltd. All rights reserved.

  18. Quantitative Survey and Structural Classification of Fracking Chemicals Reported in Unconventional Gas Exploitation

    Science.gov (United States)

    Elsner, Martin; Schreglmann, Kathrin

    2015-04-01

    Few technologies are being discussed in such controversial terms as hydraulic fracturing ("fracking") in the recovery of unconventional gas. Particular concern regards the chemicals that may return to the surface as a result of hydraulic fracturing. These are either "fracking chemicals" - chemicals that are injected together with the fracking fluid to optimize the fracturing performance or geogenic substances which may turn up during gas production, in the so-called produced water originating from the target formation. Knowledge about them is warranted for several reasons. (1) Monitoring. Air emissions are reported to arise from well drilling, the gas itself or condensate tanks. In addition, potential spills and accidents bear the danger of surface and shallow groundwater contaminations. Monitoring strategies are therefore warranted to screen for "indicator" substances of potential impacts. (2) Chemical Analysis. To meet these analytical demands, target substances must be defined so that adequate sampling approaches and analytical methods can be developed. (3) Transformation in the Subsurface. Identification and classification of fracking chemicals (aromatics vs. alcohols vs. acids, esters, etc.) is further important to assess the possibility of subsurface reactions which may potentially generate new, as yet unidentified transformation products. (4) Wastewater Treatment. For the same reason chemical knowledge is important for optimized wastewater treatment strategies. (5) Human and Ecosystem Health. Knowledge of the most frequent fracking chemicals is further essential for risk assessment (environmental behavior, toxicity) (6) Public Discussions. Finally, an overview of reported fracking chemicals can provide unbiased scientific into current public debates and enable critical reviews of Green Chemistry approaches. Presently, however, such information is not readily available. We aim to close this knowledge gap by providing a quantitative overview of chemical

  19. Non-stationary filtration mode during chemical reactions with the gas phase

    Science.gov (United States)

    Zavialov, Ivan; Konyukhov, Andrey; Negodyaev, Sergey

    2015-04-01

    An experimental and numerical study of filtration accompanied by chemical reactions between displacing fluid and solid skeleton is considered. Glass balls (400-500 μm in diameter) were placed in 1 cm gap between two glass sheets and were used as model porous medium. The baking soda was added to the glass balls. The 70% solution of acetic acid was used as the displacer. The modeling porous medium was saturated with a mineral oil, and then 70% solution of colored acetic acid was pumped through the medium. The glass balls and a mineral oil have a similar refractive index, so the model porous medium was optically transparent. During the filtration, the gas phase was generated by the chemical reactions between the baking soda and acetic acid, and time-dependent displacement of the chemical reaction front was observed. The front of the chemical reaction was associated with the most intensive gas separation. The front moved, stopped, and then moved again to the area where it had been already. We called this process a secondary oxidation wave. To describe this effect, we added to the balance equations a term associated with the formation and disappearance of phases due to chemical reactions. The equations were supplemented by Darcy's law for multiphase filtration. Nonstationarity front propagation of the chemical reaction in the numerical experiment was observed at Damköhler numbers greater than 100. The mathematical modelling was agreed well with the experimental results.

  20. The Recognition Chemicals in Fingerprints by Gas Chromatography/Mass Spectrometry

    Directory of Open Access Journals (Sweden)

    M Rezaei

    2014-12-01

    Full Text Available Objective: It has been greatly attempted to learn more about chemical information on finger prints using new vehicular technique use for the detection of a variety of substances, including narcotic drugs and medicines, as well using nano particles bound to specific antibodies. Over the last few years, the sensitive techniques of gas chromatography and mass spectrometry have been found for the detection of residues in samples with very low values. Method: In this study, sampling from fingerprints was taken through optimized methods with chemical solvents and then by the techniques of gas chromatography/mass spectrometry (GC/MS for the detection of chemicals in the fingerprints. Samples included a group of volunteers aged 30 to 40 years. Sampling was done by means of glass slides and extraction with solvents of sodium hydroxide, methanol, and chloroform solutions. Analysis and detection of debris, including nicotine, Tramadol, Methamphetamine, and Cocaine was fulfilled using derivatization and gas chromatography/mass spectrometry. Findings: The results showed that the use of derivatization as a sensitive method along with gas chromatography/mass spectrometry can detect very small amounts of nicotine in existing samples. Conclusion: The results of this research can be used as a way to detect drug residues in finger prints and ultimately they can be important in providing a standard method for the analysis of these residues.

  1. Humidity independent mass spectrometry for gas phase chemical analysis via ambient proton transfer reaction.

    Science.gov (United States)

    Zhu, Hongying; Huang, Guangming

    2015-03-31

    In this work, a humidity independent mass spectrometric method was developed for rapid analysis of gas phase chemicals. This method is based upon ambient proton transfer reaction between gas phase chemicals and charged water droplets, in a reaction chamber with nearly saturate humidity under atmospheric pressure. The humidity independent nature enables direct and rapid analysis of raw gas phase samples, avoiding time- and sample-consuming sample pretreatments in conventional mass spectrometry methods to control sample humidity. Acetone, benzene, toluene, ethylbenzene and meta-xylene were used to evaluate the analytical performance of present method. The limits of detection for benzene, toluene, ethylbenzene and meta-xylene are in the range of ∼0.1 to ∼0.3 ppbV; that of benzene is well below the present European Union permissible exposure limit for benzene vapor (5 μg m(-3), ∼1.44 ppbV), with linear ranges of approximately two orders of magnitude. The majority of the homemade device contains a stainless steel tube as reaction chamber and an ultrasonic humidifier as the source of charged water droplets, which makes this cheap device easy to assemble and facile to operate. In addition, potential application of this method was illustrated by the real time identification of raw gas phase chemicals released from plants at different physiological stages. Copyright © 2015 Elsevier B.V. All rights reserved.

  2. Fundamental limits on gas-phase chemical reduction of NOx in a plasma

    Energy Technology Data Exchange (ETDEWEB)

    Penetrante, B.M.; Hsiao, M.C.; Merritt, B.T.; Vogtlin, G.E. [Lawrence Livermore National Lab., CA (United States)

    1997-12-31

    In the plasma, the electrons do not react directly with the NOx molecules. The electrons collide mainly with the background gas molecules like N{sub 2}, O{sub 2} and H{sub 2}O. Electron impact on these molecules result partly in dissociation reactions that produce reactive species like N, O and OH. The NOx in the engine exhaust gas initially consist mostly of NO. The ground state nitrogen atom, N, is the only species that could lead to the chemical reduction of NO to N{sub 2}. The O radical oxidizes NO to NO{sub 2} leaving the same amount of NOx. The OH radical converts NO{sub 2} to nitric acid. Acid products in the plasma can easily get adsorbed on surfaces in the plasma reactor and in the pipes. When undetected, the absence of these oxidation products can often be mistaken for chemical reduction of NOx. In this paper the authors will examine the gas-phase chemical reduction of NOx. They will show that under the best conditions, the plasma can chemically reduce 1.6 grams of NOx per brake-horsepower-hour [g(NOx)/bhp-hr] when 5% of the engine output energy is delivered to the plasma.

  3. Advances of zeolite based membrane for hydrogen production via water gas shift reaction

    Science.gov (United States)

    Makertihartha, I. G. B. N.; Zunita, M.; Rizki, Z.; Dharmawijaya, P. T.

    2017-07-01

    Hydrogen is considered as a promising energy vector which can be obtained from various renewable sources. However, an efficient hydrogen production technology is still challenging. One technology to produce hydrogen with very high capacity with low cost is through water gas shift (WGS) reaction. Water gas shift reaction is an equilibrium reaction that produces hydrogen from syngas mixture by the introduction of steam. Conventional WGS reaction employs two or more reactors in series with inter-cooling to maximize conversion for a given volume of catalyst. Membrane reactor as new technology can cope several drawbacks of conventional reactor by removing reaction product and the reaction will favour towards product formation. Zeolite has properties namely high temperature, chemical resistant, and low price makes it suitable for membrane reactor applications. Moreover, it has been employed for years as hydrogen selective layer. This review paper is focusing on the development of membrane reactor for efficient water gas shift reaction to produce high purity hydrogen and carbon dioxide. Development of membrane reactor is discussed further related to its modification towards efficient reaction and separation from WGS reaction mixture. Moreover, zeolite framework suitable for WGS membrane reactor will be discussed more deeply.

  4. Chemical warfare agent detection in complex environments with comprehensive two-dimensional gas chromatography

    Science.gov (United States)

    Reichenbach, Stephen E.; Ni, Mingtian; Kottapalli, Visweswara; Visvanathan, Arvind; Ledford, Edward B., Jr.; Oostdijk, John; Trap, Henk C.

    2003-08-01

    Comprehensive two-dimensional gas chromatography (GCxGC) is an emerging technology for chemical separation that provides an order-of-magnitude increase in separation capacity over traditional gas chromatography. GCxGC separates chemical species with two capillary columns interfaced by two-stage thermal desorption. Because GCxGC is comprehensive and has high separation capacity, it can perform multiple traditional analytical methods with a single analysis. GCxGC has great potential for a wide variety of environmental sensing applications, including detection of chemical warfare agents (CWA) and other harmful chemicals. This paper demonstrates separation of nerve agents sarin and soman from a matrix of gasoline and diesel fuel. Using a combination of an initial column separating on the basis of boiling point and a second column separating on the basis of polarity, GCxGC clearly separates the nerve agents from the thousands of other chemicals in the sample. The GCxGC data is visualized, processed, and analyzed as a two-dimensional digital image using a software system for GCxGC image processing developed at the University of Nebraska - Lincoln.

  5. Comparison of Chemical and Microbiological Parameters of Charcoal Versus Gas and Solar Energy Treated Milk

    OpenAIRE

    Mohamed Osman Mohamed Abdalla; M.S. Daffalla

    2010-01-01

    The effect of heat treatment using different sources of heat on the chemical composition and microbial quality of milk was studied. Raw cow, goat and sheep milk were heated with charcoal, gas and solar energy at 99ºC for 12 min, cooled to 20ºC and chemical (fat, protein, total solids, ash (titratable acidity), vitamin C) composition as well as microbiological examination (total viable bacteria count) were carried out. Results showed that fat, total solids and ash contents w ere high in cow mi...

  6. Chemical derivatization of pharmaceutical samples prior to Gas-Chromatography and Mass-Spectrometry analysis

    Directory of Open Access Journals (Sweden)

    Vivek K. Bajpai

    2016-12-01

    Full Text Available Derivatization is the process by which a compound is chemically changed, that has properties more amenable to a particular analytical method. Some samples analyzed by Gas-chromatography and Mass-spectrometry (GC-MS require derivatization in order to make them suitable for analysis. Especially the compounds that have poor volatility, poor thermal stability, or that can be adsorbed in the injector will exhibit non-reproducible peak areas, heights, and shapes. Hence, this study focused on step-by-step visual demonstration of chemical derivatization of pharmaceutical samples prior to GC-MS analysis for their better elution and detection.

  7. Gas-Phase Molecular Dynamics: Theoretical Studies In Spectroscopy and Chemical Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Yu H. G.; Muckerman, J.T.

    2012-05-29

    The main goal of this program is the development and application of computational methods for studying chemical reaction dynamics and molecular spectroscopy in the gas phase. We are interested in developing rigorous quantum dynamics algorithms for small polyatomic systems and in implementing approximate approaches for complex ones. Particular focus is on the dynamics and kinetics of chemical reactions and on the rovibrational spectra of species involved in combustion processes. This research also explores the potential energy surfaces of these systems of interest using state-of-the-art quantum chemistry methods, and extends them to understand some important properties of materials in condensed phases and interstellar medium as well as in combustion environments.

  8. A Mechanistic Study of Chemically Modified Inorganic Membranes for Gas and Liquid Separations

    Energy Technology Data Exchange (ETDEWEB)

    Way, J. Douglas [Colorado School of Mines, Golden, CO (United States). Dept. of Chemical Engineering

    2011-01-21

    This final report will summarize the progress made during the period August 1, 1993 - October 31, 2010 with support from DOE grant number DE-FG03-93ER14363. The objectives of the research have been to investigate the transport mechanisms in micro- and mesoporous, metal oxide membranes and to examine the relationship between the microstructure of the membrane, the membrane surface chemistry, and the separation performance of the membrane. Examples of the membrane materials under investigation are the microporous silica hollow fiber membrane manufactured by PPG Industries, chemically modified mesoporous oxide membranes, and polymer membranes containing microporous oxides (mixed matrix membranes). Analytical techniques such as NMR, FTIR and Raman spectroscopy, thermal analysis, and gas adsorption were used to investigate membrane microstructure and to probe the chemical interactions occurring at the gas-membrane interface.

  9. Chemical contamination of groundwater at gas processing plants - the past, the present and the future

    Energy Technology Data Exchange (ETDEWEB)

    Wrubleski, R.M.; Drury, C.R. [Shell Canada Ltd., Calgary, AB (Canada). Calgary Research Centre; Sevigny, J.H. [Komex Consultants Ltd., Calgary, AB (Canada)

    1997-12-31

    The chemicals used to remove the sour gas components (primarily H{sub 2}S) from raw gas in the sour gas sweetening processes were discussed. The chemicals, mainly amines and physical absorbents, have been found as contaminants in soil and groundwater at several sites. Studies have been conducted to evaluate the behaviour of some of these chemicals. In particular, the contamination by sulfolane and diisopropanolamine (DIPA) which originate from the Sulfinol{sup R} sweetening process, was discussed. Prior to the mid 1970s wastes from these processes were disposed of on site in landfills that were not engineered for groundwater protection. By the mid 1970s the landfills were closed by capping. Many of the gas plant sites were located on elevated terrain where hydraulic gradient was available for downward movement of groundwater and any chemicals contained within. Contaminant movement in fractured bedrock has also affected drinking water. Ground water monitoring began in the mid 1980s to address environmental concerns, focusing on monitoring for potability, metals and organics. It was discovered that most of the plants using the Sulfinol process had groundwater contaminated with sulfolane levels ranging from 1 ppm to over 800 ppm. A research project was developed to determine the soil interaction parameters and biodegradation behaviour of pure sulfolane and DIPA to provide data in order to predict plume migration. Ecotoxicity tests were also performed to verify toxicity effects of sulfolane, DIPA, reclaimer bottoms and observed biodegradation metabolites to bio-organisms and aquatic life in aquatic receptors. 3 refs., 1 tab., 1 fig.

  10. Alternate fuels and chemicals from synthesis gas: Vinyl acetate monomer. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Richard D. Colberg; Nick A. Collins; Edwin F. Holcombe; Gerald C. Tustin; Joseph R. Zoeller

    1999-01-01

    There has been a long-standing desire on the part of industry and the U.S. Department of Energy to replace the existing ethylene-based vinyl acetate monomer (VAM) process with an entirely synthesis gas-based process. Although there are a large number of process options for the conversion of synthesis gas to VAM, Eastman Chemical Company undertook an analytical approach, based on known chemical and economic principles, to reduce the potential candidate processes to a select group of eight processes. The critical technologies that would be required for these routes were: (1) the esterification of acetaldehyde (AcH) with ketene to generate VAM, (2) the hydrogenation of ketene to acetaldehyde, (3) the hydrogenation of acetic acid to acetaldehyde, and (4) the reductive carbonylation of methanol to acetaldehyde. This report describes the selection process for the candidate processes, the successful development of the key technologies, and the economic assessments for the preferred routes. In addition, improvements in the conversion of acetic anhydride and acetaldehyde to VAM are discussed. The conclusion from this study is that, with the technology developed in this study, VAM may be produced from synthesis gas, but the cost of production is about 15% higher than the conventional oxidative acetoxylation of ethylene, primarily due to higher capital associated with the synthesis gas-based processes.

  11. UCLCHEM: A Gas-grain Chemical Code for Clouds, Cores, and C-Shocks

    Science.gov (United States)

    Holdship, J.; Viti, S.; Jiménez-Serra, I.; Makrymallis, A.; Priestley, F.

    2017-07-01

    We present a publicly available, open source version of the time-dependent, gas-grain chemical code UCLCHEM. UCLCHEM propagates the abundances of chemical species through a large network of chemical reactions in a variety of physical conditions. The model is described in detail, along with its applications. As an example of possible uses, UCLCHEM is used to explore the effect of protostellar collapse on commonly observed molecules, and study the behavior of molecules in C-type shocks. We find the collapse of a simple Bonnor-Ebert sphere successfully reproduces most of the behavior of CO, CS, and NH3 from cores observed by Tafalla et al. (2004), but cannot predict the behavior of N2H+. In the C-shock application, we find that molecules can be categorized such that they become useful observational tracers of shocks and their physical properties. Although many molecules are enhanced in shocked gas, we identify two groups of molecules in particular. A small number of molecules are enhanced by the sputtering of the ices as the shock propagates, and then remain high in abundance throughout the shock. A second, larger set is also enhanced by sputtering, but then destroyed as the gas temperature rises. Through these applications, the general applicability of UCLCHEM is demonstrated.

  12. Thin liquid films with time-dependent chemical reactions sheared by an ambient gas flow

    Science.gov (United States)

    Bender, Achim; Stephan, Peter; Gambaryan-Roisman, Tatiana

    2017-08-01

    Chemical reactions in thin liquid films are found in many industrial applications, e.g., in combustion chambers of internal combustion engines where a fuel film can develop on pistons or cylinder walls. The reactions within the film and the turbulent outer gas flow influence film stability and lead to film breakup, which in turn can lead to deposit formation. In this work we examine the evolution and stability of a thin liquid film in the presence of a first-order chemical reaction and under the influence of a turbulent gas flow. Long-wave theory with a double perturbation analysis is used to reduce the complexity of the problem and obtain an evolution equation for the film thickness. The chemical reaction is assumed to be slow compared to film evolution and the amount of reactant in the film is limited, which means that the reaction rate decreases with time as the reactant is consumed. A linear stability analysis is performed to identify the influence of reaction parameters, material properties, and environmental conditions on the film stability limits. Results indicate that exothermic reactions have a stabilizing effect whereas endothermic reactions destabilize the film and can lead to rupture. It is shown that an initially unstable film can become stable with time as the reaction rate decreases. The shearing of the film by the external gas flow leads to the appearance of traveling waves. The shear stress magnitude has a nonmonotonic influence on film stability.

  13. Survey on the feasibility of high-efficiency gas turbine power generation system; Kokoritsu gas turbine hatsuden system ni kansuru jitsuyo kanosei chosa

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-03-01

    For higher-efficiency power generation cycle plants with less restrained conditions for a location, the conceptual design of an inter-cooled regenerative two-fluid cycle plant (ISTIG) was attempted using a modified aircraft gas turbine. A high-performance turbo fan engine is used for middle-class power generation. The first stage combustion gas drives the first stage turbine, and its exhaust gas is used for the second stage combustion. Because of two-axial type of high and low pressure, improvement of thermal efficiency is expected by easy-to-install inter-cooler. ISTIG superior in operability is suitable for medium load or distributed power generation facilities, and aims at higher efficiency of a 60% level. ISTIG includes a large amount of water vapor in combustion air by adopting a diffusion type combustor eliminating back fire, and can reduce exergy loss by preheating fuel gas. Since load of the high-pressure turbine shifts toward low-pressure one by the inter-cooler, some considerations are necessary for low-pressure side cooling together with reheating cycle. Because of unnecessary steam turbine, the construction cost per kW can be reduced by 20%. 41 refs., 64 figs., 27 tabs.

  14. Effects of Annular Electromagnetic Stirring Coupled with Intercooling on Grain Refinement and Homogeneity During Direct Chill Casting of Large-Sized 7005 Alloy Billet

    Science.gov (United States)

    Luo, Yajun; Zhang, Zhifeng; Li, Bao; Gao, Mingwei; Qiu, Yang; He, Min

    2017-12-01

    To obtain a large-sized, high-quality aluminum alloy billet, an advanced uniform direct chill (UDC) casting method was developed by combining annular electromagnetic stirring (A-EMS) with intercooling in the sump. The 7005 alloy was chosen to investigate the effect of UDC on grain refinement and homogeneity during normal direct chill (NDC) casting. It was concluded that the microstructure consisting of both primary α-Al phase and secondary phases becomes finer and more homogeneous for the billets prepared with UDC casting compared to those prepared with NDC casting, and the forced cooling from both the inner and outer melt under A-EMS has a measurable effect on grain refinement and homogeneity.

  15. Effects of Annular Electromagnetic Stirring Coupled with Intercooling on Grain Refinement and Homogeneity During Direct Chill Casting of Large-Sized 7005 Alloy Billet

    Science.gov (United States)

    Luo, Yajun; Zhang, Zhifeng; Li, Bao; Gao, Mingwei; Qiu, Yang; He, Min

    2017-04-01

    To obtain a large-sized, high-quality aluminum alloy billet, an advanced uniform direct chill (UDC) casting method was developed by combining annular electromagnetic stirring (A-EMS) with intercooling in the sump. The 7005 alloy was chosen to investigate the effect of UDC on grain refinement and homogeneity during normal direct chill (NDC) casting. It was concluded that the microstructure consisting of both primary α-Al phase and secondary phases becomes finer and more homogeneous for the billets prepared with UDC casting compared to those prepared with NDC casting, and the forced cooling from both the inner and outer melt under A-EMS has a measurable effect on grain refinement and homogeneity.

  16. Gas Removal in the Ursa Minor Galaxy: Linking Hydrodynamics and Chemical Evolution Models

    Energy Technology Data Exchange (ETDEWEB)

    Caproni, Anderson; Lanfranchi, Gustavo Amaral; Baio, Gabriel Henrique Campos; Kowal, Grzegorz [Núcleo de Astrofísica Teórica, Universidade Cruzeiro do Sul, R. Galvão Bueno 868, Liberdade, 01506-000, São Paulo, SP (Brazil); Falceta-Gonçalves, Diego, E-mail: anderson.caproni@cruzeirodosul.edu.br [Escola de Artes, Ciências e Humanidades, Universidade de São Paulo, Rua Arlindo Bettio 1000, CEP 03828-000 São Paulo (Brazil)

    2017-04-01

    We present results from a non-cosmological, three-dimensional hydrodynamical simulation of the gas in the dwarf spheroidal galaxy Ursa Minor. Assuming an initial baryonic-to-dark-matter ratio derived from the cosmic microwave background radiation, we evolved the galactic gas distribution over 3 Gyr, taking into account the effects of the types Ia and II supernovae. For the first time, we used in our simulation the instantaneous supernovae rates derived from a chemical evolution model applied to spectroscopic observational data of Ursa Minor. We show that the amount of gas that is lost in this process is variable with time and radius, being the highest rates observed during the initial 600 Myr in our simulation. Our results indicate that types Ia and II supernovae must be essential drivers of the gas loss in Ursa Minor galaxy (and probably in other similar dwarf galaxies), but it is ultimately the combination of galactic winds powered by these supernovae and environmental effects (e.g., ram-pressure stripping) that results in the complete removal of the gas content.

  17. LSENS, a general chemical kinetics and sensitivity analysis code for gas-phase reactions: User's guide

    Science.gov (United States)

    Radhakrishnan, Krishnan; Bittker, David A.

    1993-01-01

    A general chemical kinetics and sensitivity analysis code for complex, homogeneous, gas-phase reactions is described. The main features of the code, LSENS, are its flexibility, efficiency and convenience in treating many different chemical reaction models. The models include static system, steady, one-dimensional, inviscid flow, shock initiated reaction, and a perfectly stirred reactor. In addition, equilibrium computations can be performed for several assigned states. An implicit numerical integration method, which works efficiently for the extremes of very fast and very slow reaction, is used for solving the 'stiff' differential equation systems that arise in chemical kinetics. For static reactions, sensitivity coefficients of all dependent variables and their temporal derivatives with respect to the initial values of dependent variables and/or the rate coefficient parameters can be computed. This paper presents descriptions of the code and its usage, and includes several illustrative example problems.

  18. An Easy to Manufacture Micro Gas Preconcentrator for Chemical Sensing Applications.

    Science.gov (United States)

    McCartney, Mitchell M; Zrodnikov, Yuriy; Fung, Alexander G; LeVasseur, Michael K; Pedersen, Josephine M; Zamuruyev, Konstantin O; Aksenov, Alexander A; Kenyon, Nicholas J; Davis, Cristina E

    2017-08-25

    We have developed a simple-to-manufacture microfabricated gas preconcentrator for MEMS-based chemical sensing applications. Cavities and microfluidic channels were created using a wet etch process with hydrofluoric acid, portions of which can be performed outside of a cleanroom, instead of the more common deep reactive ion etch process. The integrated heater and resistance temperature detectors (RTDs) were created with a photolithography-free technique enabled by laser etching. With only 28 V DC (0.1 A), a maximum heating rate of 17.6 °C/s was observed. Adsorption and desorption flow parameters were optimized to be 90 SCCM and 25 SCCM, respectively, for a multicomponent gas mixture. Under testing conditions using Tenax TA sorbent, the device was capable of measuring analytes down to 22 ppb with only a 2 min sample loading time using a gas chromatograph with a flame ionization detector. Two separate devices were compared by measuring the same chemical mixture; both devices yielded similar peak areas and widths (fwhm: 0.032-0.033 min), suggesting reproducibility between devices.

  19. Development of Fabric-Based Chemical Gas Sensors for Use as Wearable Electronic Noses

    Directory of Open Access Journals (Sweden)

    Thara Seesaard

    2015-01-01

    Full Text Available Novel gas sensors embroidered into fabric substrates based on polymers/ SWNT-COOH nanocomposites were proposed in this paper, aiming for their use as a wearable electronic nose (e-nose. The fabric-based chemical gas sensors were fabricated by two main processes: drop coating and embroidery. Four potential polymers (PVC, cumene-PSMA, PSE and PVP/functionalized-SWCNT sensing materials were deposited onto interdigitated electrodes previously prepared by embroidering conductive thread on a fabric substrate to make an optimal set of sensors. After preliminary trials of the obtained sensors, it was found that the sensors yielded a electrical resistance in the region of a few kilo-Ohms. The sensors were tested with various volatile compounds such as ammonium hydroxide, ethanol, pyridine, triethylamine, methanol and acetone, which are commonly found in the wastes released from the human body. These sensors were used to detect and discriminate between the body odors of different regions and exist in various forms such as the urine, armpit and exhaled breath odor. Based on a simple pattern recognition technique, we have shown that the proposed fabric-based chemical gas sensors can discriminate the human body odor from two persons.

  20. Systematic Search for Chemical Reactions in Gas Phase Contributing to Methanol Formation in Interstellar Space.

    Science.gov (United States)

    Gamez-Garcia, Victoria G; Galano, Annia

    2017-10-05

    A massive search for chemical routes leading to methanol formation in gas phase has been conducted using computational chemistry, at the CBS-QB3 level of theory. The calculations were performed at five different temperatures (100, 80, 50, 20, and 10 K) and at three pressures (0.1, 0.01, and 0.001 atm) for each temperature. The search was focused on identifying reactions with the necessary features to be viable in the interstellar medium (ISM). A searching strategy was applied to that purpose, which allowed to reduce an initial set of 678 possible reactions to a subset of 11 chemical routes that are recommended, for the first time, as potential candidates for contributing to methanol formation in the gas phase of the ISM. They are all barrier-less, and thus they are expected to take place at collision rates. Hopefully, including these reactions in the currently available models, for the gas-phase methanol formation in the ISM, would help improving the predicted fractional abundance of this molecule in dark clouds. Further investigations, especially those dealing with grain chemistry and electronic excited states, would be crucial to get a complete picture of the methanol formation in the ISM.

  1. Gas-Kinetic Navier-Stokes Solver for Hypersonic Flows in Thermal and Chemical Non-Equilibrium Project

    Data.gov (United States)

    National Aeronautics and Space Administration — This SBIR project proposes to develop a gas-kinetic Navier-Stokes solver for simulation of hypersonic flows in thermal and chemical non-equilibrium. The...

  2. Chemical dispersants enhance the activity of oil- and gas condensate-degrading marine bacteria.

    Science.gov (United States)

    Tremblay, Julien; Yergeau, Etienne; Fortin, Nathalie; Cobanli, Susan; Elias, Miria; King, Thomas L; Lee, Kenneth; Greer, Charles W

    2017-12-01

    Application of chemical dispersants to oil spills in the marine environment is a common practice to disperse oil into the water column and stimulate oil biodegradation by increasing its bioavailability to indigenous bacteria capable of naturally metabolizing hydrocarbons. In the context of a spill event, the biodegradation of crude oil and gas condensate off eastern Canada is an essential component of a response strategy. In laboratory experiments, we simulated conditions similar to an oil spill with and without the addition of chemical dispersant under both winter and summer conditions and evaluated the natural attenuation potential for hydrocarbons in near-surface sea water from the vicinity of crude oil and natural gas production facilities off eastern Canada. Chemical analyses were performed to determine hydrocarbon degradation rates, and metagenome binning combined with metatranscriptomics was used to reconstruct abundant bacterial genomes and estimate their oil degradation gene abundance and activity. Our results show important and rapid structural shifts in microbial populations in all three different oil production sites examined following exposure to oil, oil with dispersant and dispersant alone. We found that the addition of dispersant to crude oil enhanced oil degradation rates and favored the abundance and expression of oil-degrading genes from a Thalassolituus sp. (that is, metagenome bin) that harbors multiple alkane hydroxylase (alkB) gene copies. We propose that this member of the Oceanospirillales group would be an important oil degrader when oil spills are treated with dispersant.

  3. Effect of dimethylamine on the gas phase sulfuric acid concentration measured by Chemical Ionization Mass Spectrometry

    CERN Document Server

    Rondo, L.; Kürten, A.; Adamov, A.; Bianchi, F.; Breitenlechner, M.; Duplissy, J.; Franchin, A.; Dommen, J.; Donahue, N. M.; Dunne, E. M.; Flagan, R. C.; Hakala, J.; Hansel, A.; Keskinen, H.; Kim, J.; Jokinen, T.; Lehtipalo, K.; Leiminger, M.; Praplan, A.; Riccobono, F.; Rissanen, M. P.; Sarnela, N.; Schobesberger, S.; Simon, M.; Sipilä, M.; Smith, J. N.; Tomé, A.; Tröstl, J.; Tsagkogeorgas, G.; Vaattovaara, P.; Winkler, P. M.; Williamson, C.; Wimmer, D.; Baltensperger, U.; Kirkby, J.; Kulmala, M.; Petäjä, T.; Worsnop, D. R.; Curtius, J.

    2016-01-01

    Sulfuric acid is widely recognized as a very important substance driving atmospheric aerosolnucleation. Based on quantum chemical calculations it has been suggested that the quantitative detectionof gas phase sulfuric acid (H2SO4) by use of Chemical Ionization Mass Spectrometry (CIMS) could be biased inthe presence of gas phase amines such as dimethylamine (DMA). An experiment (CLOUD7 campaign) was setup at the CLOUD (Cosmics Leaving OUtdoor Droplets) chamber to investigate the quantitative detection ofH2SO4in the presence of dimethylamine by CIMS at atmospherically relevant concentrations. For the first time inthe CLOUD experiment, the monomer sulfuric acid concentration was measured by a CIMS and by two CI-APi-TOF(Chemical Ionization-Atmospheric Pressure interface-Time Of Flight) mass spectrometers. In addition, neutralsulfuric acid clusters were measured with the CI-APi-TOFs. The CLOUD7 measurements show that in the presenceof dimethylamine (<5 to 70 pptv) the sulfuric acid monomer measured by the CIMS...

  4. Removal of calcium and magnesium ions from shale gas flowback water by chemically activated zeolite.

    Science.gov (United States)

    Chang, Haiqing; Liu, Teng; He, Qiping; Li, Duo; Crittenden, John; Liu, Baicang

    2017-07-01

    Shale gas has become a new sweet spot of global oil and gas exploration, and the large amount of flowback water produced during shale gas extraction is attracting increased attention. Internal recycling of flowback water for future hydraulic fracturing is currently the most effective, and it is necessary to decrease the content of divalent cations for eliminating scaling and maintaining effectiveness of friction reducer. Zeolite has been widely used as a sorbent to remove cations from wastewater. This work was carried out to investigate the effects of zeolite type, zeolite form, activation chemical, activation condition, and sorption condition on removal of Ca2+ and Mg2+ from shale gas flowback water. Results showed that low removal of Ca2+ and Mg2+ was found for raw zeolite 4A and zeolite 13X, and the efficiency of the mixture of both zeolites was slightly higher. Compared with the raw zeolites, the zeolites after activation using NaOH and NaCl greatly improved the sorption performance, and there was no significant difference between dynamic activation and static activation. Dynamic sorption outperformed static sorption, the difference exceeding 40% and 7-70% for removal of Ca2+ and Mg2+, respectively. Moreover, powdered zeolites outperformed granulated zeolites in divalent cation removal.

  5. Flue gas compounds and microalgae: (bio-)chemical interactions leading to biotechnological opportunities.

    Science.gov (United States)

    Van Den Hende, Sofie; Vervaeren, Han; Boon, Nico

    2012-01-01

    Flue gases are a resource yet to be fully utilised in microalgal biotechnology, not only to moderate the anthropogenic effects on our climate, but also to steer microalgal resource management towards innovative applications of microalgal biomass compounds. These gases, both untreated and treated into current discharge standards, contain CO2, N2, H2O, O2, NOx, SOx, CxHy, CO, particulate matter, halogen acids and heavy metals. To better steer and engineer flue gas-fed microalgal cultures, all these compounds need to be considered. Therefore, here, we review (i) the chemical composition and treatment technologies of flue gas, (ii) the uptake pathways and removal of the different compounds in microalgae reactors, and (iii) the tolerance and effects on microalgae of all flue gas compounds. By emphasising the interactions between microalgae and flue gas compounds, we envisage new pathways for microalgal biomass valorisation such as enzyme production for environmental technology, novel biogas production and biosequestration of minerals. Furthermore, we highlight fundamental and applied research niches that merit further investigation. Copyright © 2012 Elsevier Inc. All rights reserved.

  6. FORAGE YIELD, CHEMICAL COMPOSITION AND IN VITRO GAS PRODUCTION OF YELLOW HYBRID MAIZE GROWN IN MEXICO

    Directory of Open Access Journals (Sweden)

    Lizbeth Esmeralda Roblez Jimenez

    2017-12-01

    Full Text Available Maize is the most important forage in feed cattle, due to its higher energy content, however, it is characterized by its wide range of varieties and the possibility of generating a large quantity of final products. The objective of the present study was to evaluate and compare the forage yield, chemical composition and in vitro gas production as fresh and hay of a local yellow criollo maize and six varieties of yellow hybrid maize (HIT13, CML460, PIONER, COPPER, CDMO80001 and CLO80902. Fresh and dry yield did not show differences between treatments (P>0.05, their chemical composition (g / kg DM showed differences (P ˂ 0.05 for the protein content by various storage methods ranging from 59.87 to 59.61 g kg-1 DM per conservation method, NDF ranged from 591 to 686 g kg-1 DM by variety and by the method ranged from 619 to 639 g kg -1 DM, ADF ranged from 298 to 345 g kg-1 DM by variety and 317 to 340 g kg-1 DM by conservation method; ADL ranged from 58 to 41 g kg-1 DM by variety and 41 to 57 g kg-1 DM by conservation method, in vitro gas production  there were no differences (P>0.05 between varieties and conservation method. It is concluded that according to the results obtained, the varieties studied show the same forage yields in both hay and fresh, chemical composition, and in vitro gas production.

  7. Predicting dermal absorption of gas-phase chemicals: transient model development, evaluation, and application

    DEFF Research Database (Denmark)

    Gong, M.; Zhang, Y.; Weschler, Charles J.

    2014-01-01

    A transient model is developed to predict dermal absorption of gas-phase chemicals via direct air-to-skin-to-blood transport under non-steady-state conditions. It differs from published models in that it considers convective mass-transfer resistance in the boundary layer of air adjacent to the skin....... Results calculated with this transient model are in good agreement with the limited experimental results that are available for comparison. The sensitivity of the modeled estimates to key parameters is examined. The model is then used to estimate air-to-skin-to-blood absorption of six phthalate esters...

  8. Adsorption-desorption kinetics and chemical potential of adsorbed and gas-phase particles

    Science.gov (United States)

    Zhdanov, V. P.

    2001-03-01

    In the literature, one can find two alternative ways of using the chemical potential of adsorbed and gas-phase particles, μa and μg, for describing the adsorption-desorption kinetics. According to the first approach, the desorption rate depends only on μa. The second approach, proposed by Ward et al. in a series of papers published in the Journal of Chemical Physics, predicts that the desorption rate is proportional to exp[(μa-μg)/kBT]. Scrutinizing the formalism used by Ward et al., we show that the latter dependence makes no sense because it contradicts the basic principles of the general theory of activated rate processes.

  9. Effect of temperature on a free energy and equilibrium constants during dry flue gas desulphurisation chemical reactions

    Directory of Open Access Journals (Sweden)

    Kuburović Miloš

    2002-01-01

    Full Text Available During dry flue gas desulphurisation (FGD dry particles of reagents are inserted (injected in the stream of flue gas, where they bond SO2. As reagents, the most often are used compounds of calcium (CaCO3, CaO or Ca(OH2. Knowledge of free energy and equilibrium constants of chemical reactions during dry FGD is necessary for understanding of influence of flue gas temperature to course of these chemical reactions as well as to SO2 bonding from flue gases.

  10. The use of the dusty-gas model for the description of mass transport with chemical reaction in porous media

    NARCIS (Netherlands)

    Veldsink, J.W.; Veldsink, J.W.; van Damme, Rudolf M.J.; Versteeg, Geert; van Swaaij, Willibrordus Petrus Maria

    1995-01-01

    In the present study, mass transport accompanied by chemical reactions in porous media is studied according to the Fick model and the dusty-gas model. For mass transport accompanied by a chemical reaction in catalyst structures showing a plane, line, or point of symmetry, the approximate analytical

  11. In situ laser measurement of oxygen concentration and flue gas temperature utilizing chemical reaction kinetics.

    Science.gov (United States)

    Viljanen, J; Sorvajärvi, T; Toivonen, J

    2017-12-01

    Combustion research requires detailed localized information on the dynamic combustion conditions to improve the accuracy of the simulations and, hence, improve the performance of the combustion processes. We have applied chemical reaction kinetics of potassium to measure the local temperature and O 2 concentration in flue gas. An excess of free atomic potassium is created in the measurement volume by a photofragmenting precursor molecule such as potassium chloride or KOH which are widely released from solid fuels. The decay of the induced potassium concentration is followed with an absorption measurement using a narrow-linewidth diode laser. The temperature and O 2 concentration are solved from the decay curve features using equations obtained from calibration measurements in a temperature range of 800°C-1000°C and in O 2 concentrations of 0.1%-21%. The local flue gas temperature and O 2 concentration were recorded in real time during devolatilization, char burning, and ash cooking phases of combustion in a single-particle reactor with a 5 Hz repetition rate. The method can be further extended to other target species and applications where the chemical dynamics can be disturbed with photofragmentation.

  12. A numerical modelling of gas exchange mechanisms between air and turbulent water with an aquarium chemical reaction

    Science.gov (United States)

    Nagaosa, Ryuichi S.

    2014-01-01

    This paper proposes a new numerical modelling to examine environmental chemodynamics of a gaseous material exchanged between the air and turbulent water phases across a gas-liquid interface, followed by an aquarium chemical reaction. This study uses an extended concept of a two-compartment model, and assumes two physicochemical substeps to approximate the gas exchange processes. The first substep is the gas-liquid equilibrium between the air and water phases, A(g)⇌A(aq), with Henry's law constant H. The second is a first-order irreversible chemical reaction in turbulent water, A(aq)+H2O→B(aq)+H+ with a chemical reaction rate κA. A direct numerical simulation (DNS) technique has been employed to obtain details of the gas exchange mechanisms and the chemical reaction in the water compartment, while zero velocity and uniform concentration of A is considered in the air compartment. The study uses the different Schmidt numbers between 1 and 8, and six nondimensional chemical reaction rates between 10(≈0) to 101 at a fixed Reynolds number. It focuses on the effects of the Schmidt number and the chemical reaction rate on fundamental mechanisms of the gas exchange processes across the interface.

  13. Reprint of: A numerical modelling of gas exchange mechanisms between air and turbulent water with an aquarium chemical reaction

    Science.gov (United States)

    Nagaosa, Ryuichi S.

    2014-08-01

    This paper proposes a new numerical modelling to examine environmental chemodynamics of a gaseous material exchanged between the air and turbulent water phases across a gas-liquid interface, followed by an aquarium chemical reaction. This study uses an extended concept of a two-compartment model, and assumes two physicochemical substeps to approximate the gas exchange processes. The first substep is the gas-liquid equilibrium between the air and water phases, A(g)⇌A(aq), with Henry's law constant H. The second is a first-order irreversible chemical reaction in turbulent water, A(aq)+H2O→B(aq)+H+ with a chemical reaction rate κA. A direct numerical simulation (DNS) technique has been employed to obtain details of the gas exchange mechanisms and the chemical reaction in the water compartment, while zero velocity and uniform concentration of A is considered in the air compartment. The study uses the different Schmidt numbers between 1 and 8, and six nondimensional chemical reaction rates between 10(≈0) to 101 at a fixed Reynolds number. It focuses on the effects of the Schmidt number and the chemical reaction rate on fundamental mechanisms of the gas exchange processes across the interface.

  14. Chemical composition, in vitro digestibility and gas production of Brachiaria managed under different forage allowances

    Directory of Open Access Journals (Sweden)

    Andressa F. Ribeiro

    2014-03-01

    Full Text Available The objective of this study was to evaluate the chemical composition, in vitro digestibility, gas production and fermentation kinetics of three Brachiaria cultivars: Brachiaria brizantha cv. Marandu, Brachiaria brizantha cv. Xaraes, and hybrid Brachiaria cv. Mulato, subjected to different levels of forage allowance (4, 7, 10 and 13% of the animal body weight, under rotational grazing cycles. Cultivar Xaraes presented higher contents of neutral detergent fibre, neutral detergent fibre corrected for ash and protein, acid detergent fibre and lignin, and lower production of gases in 96 h in the component leaf blade. There was a decrease of non-fibrous carbohydrates and fraction B2 and an increase in the fraction C of the carbohydrates in the components stem and leaf blade over the grazing cycles in all the cultivars. Cultivar Marandu presented higher digestibility values (in vitro organic matter digestibility and in vitro dry matter digestibility in the components stem and leaf blade. Cultivar Mulato demanded a shorter time of colonisation, according to the calculations of fermentation kinetics. Regardless of the level of forage allowance and of the grazing cycles, the three Brachiaria cultivars were characterised by great fermentation quality due to the relations of the gas production potential and the gas production after 48 and 96 h.

  15. Combining non selective gas sensors on a mobile robot for identification and mapping of multiple chemical compounds.

    Science.gov (United States)

    Bennetts, Victor Hernandez; Schaffernicht, Erik; Pomareda, Victor; Lilienthal, Achim J; Marco, Santiago; Trincavelli, Marco

    2014-09-17

    In this paper, we address the task of gas distribution modeling in scenarios where multiple heterogeneous compounds are present. Gas distribution modeling is particularly useful in emission monitoring applications where spatial representations of the gaseous patches can be used to identify emission hot spots. In realistic environments, the presence of multiple chemicals is expected and therefore, gas discrimination has to be incorporated in the modeling process. The approach presented in this work addresses the task of gas distribution modeling by combining different non selective gas sensors. Gas discrimination is addressed with an open sampling system, composed by an array of metal oxide sensors and a probabilistic algorithm tailored to uncontrolled environments. For each of the identified compounds, the mapping algorithm generates a calibrated gas distribution model using the classification uncertainty and the concentration readings acquired with a photo ionization detector. The meta parameters of the proposed modeling algorithm are automatically learned from the data. The approach was validated with a gas sensitive robot patrolling outdoor and indoor scenarios, where two different chemicals were released simultaneously. The experimental results show that the generated multi compound maps can be used to accurately predict the location of emitting gas sources.

  16. Advanced gas turbine cycles a brief review of power generation thermodynamics

    CERN Document Server

    Horlock, JH

    2003-01-01

    Primarily this book describes the thermodynamics of gas turbine cycles. The search for high gas turbine efficiency has produced many variations on the simple ""open circuit"" plant, involving the use of heat exchangers, reheating and intercooling, water and steam injection, cogeneration and combined cycle plants. These are described fully in the text. A review of recent proposals for a number of novel gas turbine cycles is also included. In the past few years work has been directed towards developing gas turbines which produce less carbon dioxide, or plants from which the CO2 can be d

  17. Wellbore Stability in Oil and Gas Drilling with Chemical-Mechanical Coupling

    Directory of Open Access Journals (Sweden)

    Chuanliang Yan

    2013-01-01

    Full Text Available Wellbore instability in oil and gas drilling is resulted from both mechanical and chemical factors. Hydration is produced in shale formation owing to the influence of the chemical property of drilling fluid. A new experimental method to measure diffusion coefficient of shale hydration is given, and the calculation method of experimental results is introduced. The diffusion coefficient of shale hydration is measured with the downhole temperature and pressure condition, then the penetration migrate law of drilling fluid filtrate around the wellbore is calculated. Furthermore, the changing rules of shale mechanical properties affected by hydration and water absorption are studied through experiments. The relationships between shale mechanical parameters and the water content are established. The wellbore stability model chemical-mechanical coupling is obtained based on the experimental results. Under the action of drilling fluid, hydration makes the shale formation softened and produced the swelling strain after drilling. This will lead to the collapse pressure increases after drilling. The study results provide a reference for studying hydration collapse period of shale.

  18. Long-term pulmonary complications of chemical weapons exposure in former poison gas factory workers.

    Science.gov (United States)

    Nishimura, Yoshifumi; Iwamoto, Hiroshi; Ishikawa, Nobuhisa; Hattori, Noboru; Horimasu, Yasushi; Ohshimo, Shinichiro; Fujitaka, Kazunori; Kondo, Keiichi; Hamada, Hironobu; Awai, Kazuo; Kohno, Nobuoki

    2016-07-01

    Sulfur mustard (SM) and lewisite are vesicant chemical warfare agents that can cause skin blistering and chronic lung complications. During 1929-1945, a Japanese factory produced poisonous gases, which included SM, lewisite and other chemical weapons. The aim of this study was to investigate the chest computed tomography (CT) findings among long-term survivors who worked at this factory. During 2009-2012, we evaluated chest CT findings from 346 long-term survivors who worked at the poison gas factory. Skin lesions were used as an indicator of significant exposure to vesicant agents. Among the 346 individuals, 53 (15%) individuals experienced skin lesions while working at the factory, and chest CT revealed abnormal findings in 179 individuals (52%). Emphysema was the most common CT finding and was observed in 75 individuals (22%), while honeycombing was observed in 8 individuals (2%). Emphysema and honeycombing were more prevalent among individuals with skin lesions, compared to individuals without skin lesions. Multivariate analyses revealed significant associations between the presence of emphysema and skin lesions (p = 0.008). Among individuals who never smoked, individuals with skin lesions (n = 26) exhibited a significantly higher rate of emphysema, compared to individuals without skin lesions (n = 200) (35% versus 7%, respectively; p chemical warfare agents.

  19. A Chemical Detector for Gas Chromatography Using Pulsed Discharge Emission Spectroscopy on a Microchip

    Science.gov (United States)

    Luo, X.; Zhu, W.; Mitra, B.; Liu, J.; Liu, T.; Fan, X.; Gianchandani, Y.

    2011-12-01

    There is increasing interest in miniaturized systems for chemical analysis in harsh environments. Chemical detection by emission spectroscopy of on-chip microdischarges [1-3] can be performed at >200°C [4], suggesting utility inspace exploration, volcanic monitoring, and oil well monitoring. This abstract describes the first use of pulsed microdischarge spectroscopy for gas chromatography (GC).This effort supports NASA interests in monitoring closed-loop life support systems for spacecraft. The microdischarge occurs on a 1cm2 glass chip (Fig. 1a), with thin-film Ni electrodes separated by 160μm. A glass lid with a grooved gas-flow channel, and inlet/outlet capillary tubes are epoxy-sealed to the chip. Located downstream of the 1.7m-long, RTX-1-coated, GC separation column, the microdischarge chip is read by a spectrometer. In a typical experiment (Fig. 1b), a mixture of acetone 3.6μg, 1-hexanol 2.8μg and nitrobenzene 3.0μg, is injected, with He carrier gas at 1.56sccm, through the GC. Acetone elutes quickly while nitrobenzene is slower. Microdischarges are triggered at 0.5Hz for 6 min., and 0.04Hz thereafter. Each microdischarge consumes ≈8mJ; the average power is ≈1.14mW. The spectrum (Fig. 1b, inset) shows that the 388nm peak, representing CN/CH fragments [5], is enhanced by carbon compounds. Its strength relative to the 588nm peak of He provides a chromatogram. Fig. 1b also shows a benchmark result from a commercial flame ionization detector (FID). The differences in elution time are attributed to differences in the gas flow paths for the two detectors [1]. REFERENCES [1] Eijkel et al, Anal. Chem, 2000 [2] Mitra et al, IEEE Trans Plasma Sci, 2008 [3] Mitra et al, IEEE Sensors, 2008 [4] Wright et al, APL, 2009 [5] Pearse et al, The Identification of Molecular Spectra, 1963

  20. Gas and particle phase chemical characterization of photochemical smog in Beijing and Hong Kong

    Science.gov (United States)

    Hallquist, Mattias; Le Breton, Michael; Guo, Song; Zhen Yu, Jian; Hallquist, Åsa. M.; Pathak, Ravi K.; Liu, Qianyun; Wang, Yuchen; Li, Jinjian; Chan, Chak K.; Wang, Yujue; Zheng, Jing; Yang, Yudong; Lu, Keding; Wu, Zhijun; Hu, Min

    2017-04-01

    Secondary chemistry transforming primary pollutants is of high relevance for Chinese photochemical smog. In particular, formation of ozone (O3) and particulate matter (PM), including Secondary Organic Aerosols (SOA), are of major concern regarding impacts on health, climate and ecosystems. The atmospheric oxidation processes leading to SOA formation are complex and involves thousands of different compounds, both of biogenic and anthropogenic origin. Furthermore, for a thorough understanding both the gas and the particle phase need to be considered. As part of an intercollaborative project to assess the photochemical smog in China, two major field campaigns were arranged in 2016; in Changping, Bejing during springtime and at HKUST, Hong Kong during the autumn. Alongside with other advanced instrumentations, a Time of Flight Chemical Ionisation Mass Spectrometer (ToF CIMS) utilising the Filiter Inlet for Gases and AEROsols (FIGAERO) was used to chemically characterize the gas and the particle phase. This specific instrument applies soft ionization limiting the fragmentation and one can usually identify molecular composition of hundreds of different parent molecules. In both Beijing and Hong Kong the iodide ionization scheme was utilised, making it possible to specifically detect oxygenated compounds such as carboxylic acids, organic nitrates and sulphates as well as some inorganic compounds e.g. N2O5, ClNO2, and HONO. For numerous compounds significant levels were detected in both the gas and particle phase enabling evaluation of partitioning and gas-to-particle transformation and its relationship to atmospheric conditions and estimated vapour pressures. Furthermore, the detection of molecular markers such as levoglucosan, C6H5NO3, C10H16NSO7, C5H8SO7, C5H8O4 can support source apportionment and atmospheric process description. In order to further investigate atmospheric ageing/processing a portable laminar flow reactor (Go:PAM) was for selected periods utilized to

  1. Odor and odorous chemical emissions from dairy and swine facilities: Part 5-Simultaneous chemical and sensory analysis with Gas Chromatography - Mass Spectrometry - Olfactometry

    Science.gov (United States)

    Simultaneous chemical and sensory analyses using gas chromatography-mass spectrometry-olfactometry (GC-MS-O) for air samples collected at barn exhaust fans were used for quantification and ranking of odor impact of target odorous gases. Fifteen target odorous VOCs (odorants) were selected. Air sampl...

  2. Gas chromatography-mass spectrometric identification of iodine species arising from photo-chemical vapor generation

    Energy Technology Data Exchange (ETDEWEB)

    Grinberg, Patricia; Mester, Zoltan [Institute for National Measurements Standards, National Research Council Canada, Ottawa, Ontario, K1A 0R6 (Canada); D' Ulivo, Alessandro [Institute for Chemical and Physical Processes, National Research Council, Via G. Moruzzi 1, Pisa, 56124 (Italy); Sturgeon, Ralph E. [Institute for National Measurements Standards, National Research Council Canada, Ottawa, Ontario, K1A 0R6 (Canada)], E-mail: ralph.sturgeon@nrc.ca

    2009-07-15

    Ultraviolet irradiation of aqueous solutions of iodide/iodate ion containing low molecular weight organic acids generates volatile iodine species that are amenable to detection by atomic spectrometry. In the presence of formic, acetic or propionic acids, photo-chemical generation results in the formation of HI, methyl- and ethyl-iodide respectively, the latter two products being directly identified by gas chromatography-mass spectrometry. Deuterium and {sup 13}C-labeled reagents were employed to elucidate the provenance of the alkyl group. Use of {sup 13}CH{sub 3}-COOH produced {sup 13}CH{sub 3}-I; deuterated acetic acid (D{sub 3}C-COOD) resulted in the formation of CD{sub 3}-I. These observations indicate direct transfer of the alkyl group from the carboxylic acid to iodide, consistent with the suggestion that the mechanism of synthesis involves radical induced reactions.

  3. Gas chromatography-mass spectrometric identification of iodine species arising from photo-chemical vapor generation

    Science.gov (United States)

    Grinberg, Patricia; Mester, Zoltan; D'Ulivo, Alessandro; Sturgeon, Ralph E.

    2009-07-01

    Ultraviolet irradiation of aqueous solutions of iodide/iodate ion containing low molecular weight organic acids generates volatile iodine species that are amenable to detection by atomic spectrometry. In the presence of formic, acetic or propionic acids, photo-chemical generation results in the formation of HI, methyl- and ethyl-iodide respectively, the latter two products being directly identified by gas chromatography-mass spectrometry. Deuterium and 13C-labeled reagents were employed to elucidate the provenance of the alkyl group. Use of 13CH 3-COOH produced 13CH 3-I; deuterated acetic acid (D 3C-COOD) resulted in the formation of CD 3-I. These observations indicate direct transfer of the alkyl group from the carboxylic acid to iodide, consistent with the suggestion that the mechanism of synthesis involves radical induced reactions.

  4. Recent Advances in Gas and Chemical Detection by Vernier Effect-Based Photonic Sensors

    Directory of Open Access Journals (Sweden)

    Mario La Notte

    2014-03-01

    Full Text Available Recently, the Vernier effect has been proved to be very efficient for significantly improving the sensitivity and the limit of detection (LOD of chemical, biochemical and gas photonic sensors. In this paper a review of compact and efficient photonic sensors based on the Vernier effect is presented. The most relevant results of several theoretical and experimental works are reported, and the theoretical model of the typical Vernier effect-based sensor is discussed as well. In particular, sensitivity up to 460 μm/RIU has been experimentally reported, while ultra-high sensitivity of 2,500 μm/RIU and ultra-low LOD of 8.79 × 10−8 RIU have been theoretically demonstrated, employing a Mach-Zehnder Interferometer (MZI as sensing device instead of an add drop ring resonator.

  5. Recent advances in gas and chemical detection by Vernier effect-based photonic sensors.

    Science.gov (United States)

    La Notte, Mario; Troia, Benedetto; Muciaccia, Tommaso; Campanella, Carlo Edoardo; De Leonardis, Francesco; Passaro, Vittorio M N

    2014-03-10

    Recently, the Vernier effect has been proved to be very efficient for significantly improving the sensitivity and the limit of detection (LOD) of chemical, biochemical and gas photonic sensors. In this paper a review of compact and efficient photonic sensors based on the Vernier effect is presented. The most relevant results of several theoretical and experimental works are reported, and the theoretical model of the typical Vernier effect-based sensor is discussed as well. In particular, sensitivity up to 460 μm/RIU has been experimentally reported, while ultra-high sensitivity of 2,500 μm/RIU and ultra-low LOD of 8.79 × 10(-8) RIU have been theoretically demonstrated, employing a Mach-Zehnder Interferometer (MZI) as sensing device instead of an add drop ring resonator.

  6. Supersonic Flow of Chemically Reacting Gas-Particle Mixtures. Volume II. RAMP - A Computer Code for Analysis of Chemically Reacting Gas-Particle Flows,

    Science.gov (United States)

    1976-01-01

    pitot pressure. This routine is used only for finite rate chemistry, real gas cases. CALLING SEQUENCE CALL NORSCK (VI, PI, EMI, TI, GMI, RI, HI, POSTR ...where VI, PI. HI are the local values of velocity, pressure, Mach number, temperature, gamma, gas constant and enthalpy POSTR is the pitot pressure

  7. Physical and chemical characterizations of nanometric indigo layers as efficient ozone filter for gas sensor devices

    Energy Technology Data Exchange (ETDEWEB)

    Brunet, J., E-mail: brunet@lasmea.univ-bpclermont.fr [Clermont Universite, Universite B. Pascal, LASMEA, F-63000 Clermont-Ferrand (France); CNRS, UMR 6602, LASMEA, F-63177 Aubiere (France); Spinelle, L. [Clermont Universite, Universite B. Pascal, LASMEA, F-63000 Clermont-Ferrand (France); CNRS, UMR 6602, LASMEA, F-63177 Aubiere (France); Clermont Universite, Universite B. Pascal, LMI, F-63000 Clermobnt-Ferrand (France); CNRS, UMR 6002, LMI, F-63177 Aubiere (France); Ndiaye, A. [Clermont Universite, Universite B. Pascal, LASMEA, F-63000 Clermont-Ferrand (France); CNRS, UMR 6602, LASMEA, F-63177 Aubiere (France); Dubois, M. [Clermont Universite, Universite B. Pascal, LMI, F-63000 Clermobnt-Ferrand (France); CNRS, UMR 6002, LMI, F-63177 Aubiere (France); Monier, G.; Varenne, C.; Pauly, A.; Lauron, B. [Clermont Universite, Universite B. Pascal, LASMEA, F-63000 Clermont-Ferrand (France); CNRS, UMR 6602, LASMEA, F-63177 Aubiere (France); Guerin, K.; Hamwi, A. [Clermont Universite, Universite B. Pascal, LMI, F-63000 Clermobnt-Ferrand (France); CNRS, UMR 6002, LMI, F-63177 Aubiere (France)

    2011-11-30

    The relevance of nanometric indigo layers as integrated ozone filters on chemical gas sensors has been established. Indigo can be considered as a selective filter because it ensures a complete removal of ozone in air while being very weakly reactive with CO and NO{sub 2}. The nanometric layers have been realized by thermal evaporation and their chemical structures have been consecutively determined by FT-IR and XPS analyses. Studies about their morphology have been realized by means of SEM and AFM. Results underline the homogeneity and the low roughness of the samples. Electrical characterizations have revealed the high electronic resistivity of nanometric indigo layers. Current-voltage characterizations have put in obviousness that the integration of indigo layer has no effect on the electrical characteristics of sensitive element, even for material exhibiting a very low intrinsic electronic conductivity like metallophthalocyanines. The selective and reproducible measurements of NO{sub 2} concentrations by an original sensing device which takes advantage of on the one hand, the sensitivity and the partial selectivity of copper phthalocyanine (CuPc) to oxidizing gases and on the other hand, the filtering selectivity of indigo toward O{sub 3} have been successfully performed. Optimization of sensing performances as well as the scope of indigo nanolayers will be finally discussed.

  8. Chemical bonding and humidity sensing properties of amorphous carbon nitride (a-CNx) by acetylene gas

    Science.gov (United States)

    Aziz, Siti Aisyah Abd; Purhanudin, Noorain; Awang, Rozidawati

    2017-05-01

    Amorphous carbon nitride (a-CNx) thin films were deposited by radio frequency plasma enhance chemical vapor deposition (RF-PECVD) using a fixed mixture of acetylene (C2H2) at 20 sccm and nitrogen (N2) gases at 50 sccm. The films were deposited at different RF power of 60, 70, 80, 90 and 100 W. The deposition pressure, deposition time and substrate temperature were kept constant at 0.8 mbar, 30 minutes and 100°C, respectively. The chemical bonding of the a-CNx thin films was characterized using Fourier transform infrared spectroscopy (FTIR) and its sensing properties was determined using a home built humidity sensor system. The increase of RF powers leads to an increment of formation of double (C=N) and triple (C≡N) bonds as compared to a-CNx deposited using methane (CH4) or ethane (C2H6) gas. This is due to a higher ratio of C to H atoms in C2H2. The humidity sensing performance show the sensitivity of the films is the highest at low deposition power in changes of relative humidity (%RH). The a-CNx thin film show good repeatability and high sensitivity as a humidity sensing materials which prepared at low RF power.

  9. Impact of chemically amended pig slurry on greenhouse gas emissions, soil properties and leachate.

    Science.gov (United States)

    O' Flynn, Cornelius J; Healy, Mark G; Lanigan, Gary J; Troy, Shane M; Somers, Cathal; Fenton, Owen

    2013-10-15

    The effectiveness of chemical amendment of pig slurry to ameliorate phosphorus (P) losses in runoff is well studied, but research mainly has concentrated only on the runoff pathway. The aims of this study were to investigate changes to leachate nutrient losses, soil properties and greenhouse gas (GHG) emissions due to the chemical amendment of pig slurry spread at 19 kg total phosphorus (TP), 90 kg total nitrogen (TN), and 180 kg total carbon (TC) ha(-1). The amendments examined were: (1) commercial grade liquid alum (8% Al2O3) applied at a rate of 0.88:1 [Al:TP], (2) commercial-grade liquid ferric chloride (38% FeCl3) applied at a rate of 0.89:1 [Fe:TP] and (3) commercial-grade liquid poly-aluminium chloride (PAC) (10% Al2O3) applied at a rate of 0.72:1 [Al:TP]. Columns filled with sieved soil were incubated for 8 mo at 10 °C and were leached with 160 mL (19 mm) distilled water wk(-1). All amendments reduced the Morgan's phosphorus and water extractable P content of the soil to that of the soil-only treatment, indicating that they have the ability to reduce P loss in leachate following slurry application. There were no significant differences between treatments for nitrogen (N) or carbon (C) in leachate or soil, indicating no deleterious impact on reactive N emissions or soil C cycling. Chemical amendment posed no significant change to GHG emissions from pig slurry, and in the cases of alum and PAC, reduced cumulative N2O and CO2 losses. Chemical amendment of land applied pig slurry can reduce P in runoff without any negative impact on nutrient leaching and GHG emissions. Future work must be conducted to ascertain if more significant reductions in GHG emissions are possible with chemical amendments. Copyright © 2013 Elsevier Ltd. All rights reserved.

  10. Gases in Taiwan mud volcanoes: Chemical composition, methane carbon isotopes, and gas fluxes

    Energy Technology Data Exchange (ETDEWEB)

    Chao, Hung-Chun [Department of Earth Sciences, National Cheng Kung University, Tainan, Taiwan (China)] [Earth Dynamic System Research Center, National Cheng Kung University, Tainan, Taiwan (China); You, Chen-Feng, E-mail: cfy20@mail.ncku.edu.tw [Department of Earth Sciences, National Cheng Kung University, Tainan, Taiwan (China)] [Earth Dynamic System Research Center, National Cheng Kung University, Tainan, Taiwan (China); Sun, Chih-Hsien [Exploration and Production Research Institute, Chinese Petroleum Corporation, Taiwan (China)

    2010-03-15

    Mud volcanoes are important pathways for CH{sub 4} emission from deep buried sediments; however, the importance of gas fluxes have hitherto been neglected in atmospheric source budget considerations. In this study, gas fluxes have been monitored to examine the stability of their chemical compositions and fluxes spatially, and stable C isotopic ratios of CH{sub 4} were determined, for several mud volcanoes on land in Taiwan. The major gas components are CH{sub 4} (>90%), 'air' (i.e. N{sub 2} + O{sub 2} + Ar, 1-5%) and CO{sub 2} (1-5%) and these associated gas fluxes varied slightly at different mud volcanoes in southwestern Taiwan. The Hsiao-kun-shui (HKS) mud volcano emits the highest CH{sub 4} concentration (CH{sub 4} > 97%). On the other hand, the Chung-lun mud volcano (CL) shows CO{sub 2} up to 85%, and much lower CH{sub 4} content (<37%). High CH{sub 4} content (>90%) with low CO{sub 2} (<0.2%) are detected in the mud volcano gases collected in eastern Taiwan. It is suggestive that these gases are mostly of thermogenic origin based on C{sub 1} (methane)/C{sub 2} (ethane) + C{sub 3} (propane) and {delta}{sup 13}C{sub CH4} results, with the exception of mud volcanoes situated along the Gu-ting-keng (GTK) anticline axis showing unique biogenic characteristics. Only small CH{sub 4} concentration variations, <2%, were detected in four on-site short term field-monitoring experiments, at Yue-shi-jie A, B, Kun-shui-ping and Lo-shan A. Preliminary estimation of CH{sub 4} emission fluxes for mud volcanoes on land in Taiwan fall in a range between 980 and 2010 tons annually. If soil diffusion were taken into account, the total amount of mud volcano CH{sub 4} could contribute up to 10% of total natural CH{sub 4} emissions in Taiwan.

  11. Chemical hot gas purification for biomass gasification processes; Chemische Heissgasreinigung bei Biomassevergasungsprozessen

    Energy Technology Data Exchange (ETDEWEB)

    Stemmler, Michael

    2010-07-01

    The German government decided to increase the percentage of renewable energy up to 20 % of all energy consumed in 2020. The development of biomass gasification technology is advanced compared to most of the other technologies for producing renewable energy. So the overall efficiency of biomass gasification processes (IGCC) already increased to values above 50 %. Therefore, the production of renewable energy attaches great importance to the thermochemical biomass conversion. The feedstock for biomass gasification covers biomasses such as wood, straw and further energy plants. The detrimental trace elements released during gasification of these biomasses, e.g. KCl, H{sub 2}S and HCl, cause corrosion and harm downstream devices. Therefore, gas cleaning poses an especial challenge. In order to improve the overall efficiency this thesis aims at the development of gas cleaning concepts for the allothermic, water blown gasification at 800 C and 1 bar (Guessing-Process) as well as for the autothermic, water and oxygen blown gasification at 950 C and 18 bar (Vaernamo-Process). Although several mechanisms for KCl- and H{sub 2}S-sorption are already well known, the achievable reduction of the contamination concentration is still unknown. Therefore, calculations on the produced syngas and the chemical hot gas cleaning were done with a thermodynamic process model using SimuSage. The syngas production was included in the calculations because the knowledge of the biomass syngas composition is very limited. The results of these calculations prove the dependence of syngas composition on H{sub 2}/C-ratio and ROC (Relative Oxygen Content). Following the achievable sorption limits were detected via experiments. The KCl containing syngases were analysed by molecular beam mass spectrometry (MBMS). Furthermore, an optimised H{sub 2}S-sorbent was developed because the examined sorbents exceeded the sorption limit of 1 ppmv. The calculated sorption limits were compared to the limits

  12. Porous TiO2-Based Gas Sensors for Cyber Chemical Systems to Provide Security and Medical Diagnosis

    Directory of Open Access Journals (Sweden)

    Vardan Galstyan

    2017-12-01

    Full Text Available Gas sensors play an important role in our life, providing control and security of technical processes, environment, transportation and healthcare. Consequently, the development of high performance gas sensor devices is the subject of intense research. TiO2, with its excellent physical and chemical properties, is a very attractive material for the fabrication of chemical sensors. Meanwhile, the emerging technologies are focused on the fabrication of more flexible and smart systems for precise monitoring and diagnosis in real-time. The proposed cyber chemical systems in this paper are based on the integration of cyber elements with the chemical sensor devices. These systems may have a crucial effect on the environmental and industrial safety, control of carriage of dangerous goods and medicine. This review highlights the recent developments on fabrication of porous TiO2-based chemical gas sensors for their application in cyber chemical system showing the convenience and feasibility of such a model to provide the security and to perform the diagnostics. The most of reports have demonstrated that the fabrication of doped, mixed and composite structures based on porous TiO2 may drastically improve its sensing performance. In addition, each component has its unique effect on the sensing properties of material.

  13. Porous TiO₂-Based Gas Sensors for Cyber Chemical Systems to Provide Security and Medical Diagnosis.

    Science.gov (United States)

    Galstyan, Vardan

    2017-12-19

    Gas sensors play an important role in our life, providing control and security of technical processes, environment, transportation and healthcare. Consequently, the development of high performance gas sensor devices is the subject of intense research. TiO₂, with its excellent physical and chemical properties, is a very attractive material for the fabrication of chemical sensors. Meanwhile, the emerging technologies are focused on the fabrication of more flexible and smart systems for precise monitoring and diagnosis in real-time. The proposed cyber chemical systems in this paper are based on the integration of cyber elements with the chemical sensor devices. These systems may have a crucial effect on the environmental and industrial safety, control of carriage of dangerous goods and medicine. This review highlights the recent developments on fabrication of porous TiO₂-based chemical gas sensors for their application in cyber chemical system showing the convenience and feasibility of such a model to provide the security and to perform the diagnostics. The most of reports have demonstrated that the fabrication of doped, mixed and composite structures based on porous TiO₂ may drastically improve its sensing performance. In addition, each component has its unique effect on the sensing properties of material.

  14. Porous TiO2-Based Gas Sensors for Cyber Chemical Systems to Provide Security and Medical Diagnosis

    Science.gov (United States)

    2017-01-01

    Gas sensors play an important role in our life, providing control and security of technical processes, environment, transportation and healthcare. Consequently, the development of high performance gas sensor devices is the subject of intense research. TiO2, with its excellent physical and chemical properties, is a very attractive material for the fabrication of chemical sensors. Meanwhile, the emerging technologies are focused on the fabrication of more flexible and smart systems for precise monitoring and diagnosis in real-time. The proposed cyber chemical systems in this paper are based on the integration of cyber elements with the chemical sensor devices. These systems may have a crucial effect on the environmental and industrial safety, control of carriage of dangerous goods and medicine. This review highlights the recent developments on fabrication of porous TiO2-based chemical gas sensors for their application in cyber chemical system showing the convenience and feasibility of such a model to provide the security and to perform the diagnostics. The most of reports have demonstrated that the fabrication of doped, mixed and composite structures based on porous TiO2 may drastically improve its sensing performance. In addition, each component has its unique effect on the sensing properties of material. PMID:29257076

  15. Chemical and isotopic study of thermal springs and gas discharges from Sierra de Chiapas, Mexico

    Energy Technology Data Exchange (ETDEWEB)

    Nencetti, A; Tassi, F; Vaselli, O [Department of Earth Sciences, Florence (Italy); Macias, J. L [Instituto de Geofisica, Universidad Nacional Autonoma de Mexico, D.F. (Mexico); Magro, G [CNR-Institute of Geosciences and Earth Resources, Pisa (Italy); Capaccioni, B [Institute of Volcanology and Geochemistry, Urbino (Italy); Minissale, A [CNR-Institute of Geosciences and Earth Resources, Florence (Italy); Mora, J. C [Instituto de Geofisica, Universidad Nacional Autonoma de Mexico, D.F. (Mexico)

    2005-01-15

    Thermal water and gas discharges south-east of El Chichon volcano, Mexico are associated mainly with NW-SE oriented fault systems. Spring discharges include i) waters with Na-Cl composition and TDS>3000 mg/L; ii) waters with Ca-SO{sub 4} composition and TDS values between 1400 and 2300 mg/L; iii) waters with Na-Cl composition and TDS of 800 to 2400 mg/L and sulphate content up to 650 mg/L and iv) waters with Ca-HCO{sub 3} composition and low salinity (TDS <250mg/L). Most of these waters are associated with free-gas discharges of N{sub 2} (up to 93 % by vol.), CO{sub 2} (2.4 to 31.2 % by vol.) and Ar (up to 1.25 % by vol.) with a predominant meteoric origin. H{sub 2}S is present only in gas samplers collected at El Azufre (up to 1.1 % by vol.). The {delta}13C CO{sub 2} values are always below -9.7% (PDB) and suggest a partially biogenic origin for CO{sub 2}. Chemical and isotopic features of spring discharges indicate that fluid circulation in the Sierra de Chiapas is mainly regulated by meteoric waters that tend to infiltrate the upper and middle-Cretaceous carbonate units up to the lower Cretaceous-upper Jurassic evaporitic formations (by Lopez-Ramos, 1982). The latter provide the main source of the species in solution. No evidence for high-to-medium enthalpy systems at depth beneath the Sierra de Chiapas has been found. [Spanish] La Sierra de Chiapas localizada en el Sureste de Mexico, se caracteriza por la presencia de descargas de gas y agua. La mayoria de los manantiales termales se asocian a rocas volcanicas Terciarias a lo largo de fallas regionales con orientacion NOSE. Las descargas termales se dividen en cuatro grupos: i) aguas con composicion Na-Cl y Solidos Disueltos Totales (SDT) >3000 mg/L; ii) aguas con composicion Ca-SO{sub 4} y valores de SDT entre 1400 y 2300 mg/L; iii) aguas con composicion Na-Cl, bajos contenidos de SDT (800 2400 mg/L) y un contenido de sulfato alto (hasta 650 mg/L) y iv) aguas con una composicion Ca-HCO{sub 3} y salinidad baja

  16. Room temperature multiplexed gas sensing using chemical-sensitive 3.5-nm-thin silicon transistors.

    Science.gov (United States)

    Fahad, Hossain Mohammad; Shiraki, Hiroshi; Amani, Matin; Zhang, Chuchu; Hebbar, Vivek Srinivas; Gao, Wei; Ota, Hiroki; Hettick, Mark; Kiriya, Daisuke; Chen, Yu-Ze; Chueh, Yu-Lun; Javey, Ali

    2017-03-01

    There is great interest in developing a low-power gas sensing technology that can sensitively and selectively quantify the chemical composition of a target atmosphere. Nanomaterials have emerged as extremely promising candidates for this technology due to their inherent low-dimensional nature and high surface-to-volume ratio. Among these, nanoscale silicon is of great interest because pristine silicon is largely inert on its own in the context of gas sensing, unless functionalized with an appropriate gas-sensitive material. We report a chemical-sensitive field-effect transistor (CS-FET) platform based on 3.5-nm-thin silicon channel transistors. Using industry-compatible processing techniques, the conventional electrically active gate stack is replaced by an ultrathin chemical-sensitive layer that is electrically nonconducting and coupled to the 3.5-nm-thin silicon channel. We demonstrate a low-power, sensitive, and selective multiplexed gas sensing technology using this platform by detecting H2S, H2, and NO2 at room temperature for environment, health, and safety in the oil and gas industry, offering significant advantages over existing technology. Moreover, the system described here can be readily integrated with mobile electronics for distributed sensor networks in environmental pollution mapping and personal air-quality monitors.

  17. ANALYSIS OF CHEMICAL COMPOUNDS OF AGARWOOD OIL FROM DIFFERENT SPECIES BY GAS CHROMATOGRAPHY MASS SPECTROMETRY (GCMS

    Directory of Open Access Journals (Sweden)

    Yumi Zuhanis Has-Yun Hashim

    2014-05-01

    Full Text Available ABSTRACT: Agarwood oil is a highly prized type of oil due to its unique aroma. The oil is extracted from the fragrant resin found in the agarwood tree (trunk.  The unique aroma and quality of agarwood resin and oil are contributed by the presence of certain chemical compounds. In this work, analysis and comparison of the chemical compounds of agarwood oil from A. malaccensis, A. sub-integra and a mixture of both were conducted.  The essential oils were diluted in hexane (5% prior to gas chromatography mass spectrometry (GCMS analysis performed using Agilent GCMS 7890A coupled with MSD quadrupole detector 5975 C.  Separation of analytes by gas chromatography was carried out using a Hewlett Packard HP-5MS silica capillary column (30 m X 0.25 mm X 0.25 mm. A total of 107 compounds were identified from the three samples of agarwood oils. Fifty-five (55 components were identified in A. malaccensis sample which contributes to the largest portion of the total compounds. About 20% of the compounds identified were aromatic and sesquiterpenes which have been revealed to be the main active compounds of agarwood oils which also give the aroma and pleasant odour of agarwood. Different compositions or profile of chemical components were found in agarwood oils from the two different species. Two compounds were commonly identified in all three samples namely 3-phenyl-2-butanone and alpha-cubebene.  Further studies are needed to refine the results which later can be used to assist detection and authentication of agarwood as well as its scientific-based grading. ABSTRAK: Minyak gaharu merupakan sejenis minyak beraroma unik yang mendapat permintaan tinggi dan mahal. Minyak ini diekstrak daripada resin beraroma yang terbentuk di dalam batang pokok gaharu. Keunikan aroma dan kualiti resin dan minyak gaharu ini bergantung kepada kehadiran bahan kimia tertentu. Penyelidikan ini menjurus kepada analisis dan perbandingan bahan-bahan kimia yang terdapat dalam minyak

  18. Distribution and chemical fate of 36Cl-chlorine dioxide gas during the fumigation of tomatoes and cantaloupe

    Science.gov (United States)

    The distribution and chemical fate of 36Cl-ClO2 gas subsequent to fumigation of tomatoes or cantaloupe was investigated as was major factors that affect the formation of chloroxyanion byproducts. Approximately 22% of the generated 36Cl-ClO2 was present on fumigated tomatoes after a 2-hour exposure t...

  19. Probing the Gas-Phase Dynamics of Graphene Chemical Vapour Deposition using in-situ UV Absorption Spectroscopy

    DEFF Research Database (Denmark)

    Shivayogimath, Abhay; Mackenzie, David; Luo, Birong

    2017-01-01

    The processes governing multilayer nucleation in the chemical vapour deposition (CVD) of graphene are important for obtaining high-quality monolayer sheets, but remain poorly understood. Here we show that higher-order carbon species in the gas-phase play a major role in multilayer nucleation...

  20. Endocrine-Disrupting Chemicals and Oil and Natural Gas Operations: Potential Environmental Contamination and Recommendations to Assess Complex Environmental Mixtures.

    Science.gov (United States)

    Kassotis, Christopher D; Tillitt, Donald E; Lin, Chung-Ho; McElroy, Jane A; Nagel, Susan C

    2016-03-01

    Hydraulic fracturing technologies, developed over the last 65 years, have only recently been combined with horizontal drilling to unlock oil and gas reserves previously deemed inaccessible. Although these technologies have dramatically increased domestic oil and natural gas production, they have also raised concerns for the potential contamination of local water supplies with the approximately 1,000 chemicals that are used throughout the process, including many known or suspected endocrine-disrupting chemicals. We discuss the need for an endocrine component to health assessments for drilling-dense regions in the context of hormonal and antihormonal activities for chemicals used. We discuss the literature on a) surface and groundwater contamination by oil and gas extraction operations, and b) potential human exposure, particularly in the context of the total hormonal and antihormonal activities present in surface and groundwater from natural and anthropogenic sources; we also discuss initial analytical results and critical knowledge gaps. In light of the potential for environmental release of oil and gas chemicals that can disrupt hormone receptor systems, we recommend methods for assessing complex hormonally active environmental mixtures. We describe a need for an endocrine-centric component for overall health assessments and provide information supporting the idea that using such a component will help explain reported adverse health trends as well as help develop recommendations for environmental impact assessments and monitoring programs.

  1. Endocrine-disrupting chemicals and oil and natural gas operations: Potential environmental contamination and recommendations to assess complex environmental mixtures

    Science.gov (United States)

    Kassotis, Christopher D.; Tillitt, Donald E.; Lin, Chung-Ho; McElroy, Jane A.; Nagel, Susan C.

    2016-01-01

    Background: Hydraulic fracturing technologies, developed over the last 65 years, have only recently been combined with horizontal drilling to unlock oil and gas reserves previously deemed inaccessible. While these technologies have dramatically increased domestic oil and natural gas production, they have also raised concerns for the potential contamination of local water supplies with the approximately 1,000 chemicals used throughout the process, including many known or suspected endocrine-disrupting chemicals.Objectives: We discuss the need for an endocrine component to health assessments for drilling-dense regions in the context of hormonal and anti-hormonal activities for chemicals used.Methods: We discuss the literature on 1) surface and ground water contamination by oil and gas extraction operations, and 2) potential human exposure, particularly in context of the total hormonal and anti-hormonal activities present in surface and ground water from natural and anthropogenic sources, with initial analytical results and critical knowledge gaps discussed.Discussion: In light of the potential for environmental release of oil and gas chemicals that can disrupt hormone receptor systems, we recommend methods for assessing complex hormonally active environmental mixtures.Conclusions: We describe a need for an endocrine-centric component for overall health assessments and provide supporting information that using this may help explain reported adverse health trends as well as help develop recommendations for environmental impact assessments and monitoring programs.

  2. Determination of BROMATE AT PARTS-PER-TRILLION LEVELS BY GAS CHROMATOGRAPHY-MASS SPECTROMETRY WITH NEGATIVE CHEMICAL IONIZATION

    Science.gov (United States)

    The ozonation of bromide-containing source waters produces bromate as a class 2B carcinogenic disinfection by-product. The present work describes the determination of bromate by gas chromatography-negative chemical ionization mass spectrometry (GC-NCIMS) following a bromate react...

  3. Influence of gas flow velocity on the transport of chemical species in an atmospheric pressure air plasma discharge

    Science.gov (United States)

    Hasan, M. I.; Walsh, J. L.

    2017-03-01

    This paper reports on a numerical study of the transport of reactive chemical species generated in an atmospheric-pressure air plasma discharge under the influence of a high velocity flowing gas. Using a 1D air plasma model, it is shown that the reactive species transported downstream of the discharge region can be categorized into three distinct groups based on their spatial distribution: (i) decaying downstream species, (ii) increasing downstream species and (iii) variable density species, where the density is a function of both spatial position and gas flow velocity. It is demonstrated that the gas flow velocity influences the dominant chemical reactions downstream of the discharge region, noticeably altering the composition of several key reactive chemical species transported to a given downstream location. As many emerging applications of atmospheric pressure plasma are driven by the flux of reactive chemical species, this study highlights the importance of gas flow velocity, not only as a means to enhance mass transport but also as a means to manipulate the very nature of the reactive plasma chemistry arriving at a given location.

  4. Effects of feed gas composition and catalyst thickness on carbon nanotube and nanofiber synthesis by plasma enhanced chemical vapor deposition.

    Science.gov (United States)

    Garg, R K; Kim, S S; Hash, D B; Gore, J P; Fisher, T S

    2008-06-01

    Many engineering applications require carbon nanotubes with specific characteristics such as wall structure, chirality and alignment. However, precise control of nanotube properties grown to application specifications remains a significant challenge. Plasma-enhanced chemical vapor deposition (PECVD) offers a variety of advantages in the synthesis of carbon nanotubes in that several important synthesis parameters can be controlled independently. This paper reports an experimental study of the effects of reacting gas composition (percentage methane in hydrogen) and catalyst film thickness on carbon nanotube (CNT) growth and a computational study of gas-phase composition for the inlet conditions of experimentally observed carbon nanotube growth using different chemical reaction mechanisms. The simulations seek to explain the observed effects of reacting gas composition and to identify the precursors for CNT formation. The experimental results indicate that gas-phase composition significantly affects the synthesized material, which is shown to be randomly aligned nanotube and nanofiber mats for relatively methane-rich inlet gas mixtures and non-tubular carbon for methane-lean incoming mixtures. The simulation results suggest that inlet methane-hydrogen mixture coverts to an acetylene-methane-hydrogen mixture with minor amounts of ethylene, hydrogen atom, and methyl radical. Acetylene appears to be the indicator species for solid carbon formation. The simulations also show that inlet methane-hydrogen mixture does not produce enough gas-phase precursors needed to form quality CNTs below 5% CH4 concentrations in the inlet stream.

  5. Vinylphosphine-borane: synthesis, gas phase infrared spectroscopy, and quantum chemical vibrational calculations.

    Science.gov (United States)

    Khater, Brahim; Guillemin, Jean-Claude; Benidar, Abdessamad; Bégué, Didier; Pouchan, Claude

    2008-12-14

    Both experimental and theoretical investigations are reported on the infrared spectrum of vinylphosphine-borane (CH(2)=CHPH(2) x BH(3)), a donor-acceptor complex. The gas phase infrared spectra (3500-600 cm(-1)) have been recorded at 0.5 cm(-1) resolution. This first primary alpha,beta-unsaturated phosphine-borane synthesized up to now is kinetically very unstable in the gas phase and decomposes rapidly into two fragments: the free vinylphosphine CH(2)=CHPH(2) and the monoborane BH(3) which dimerizes to form the more stable diborane B(2)H(6). Spectra of free CH(2)=CHPH(2) and B(2)H(6) compounds were also recorded to assign some vibration modes of the complex in very dense spectral regions. The analysis was completed by carrying out quantum mechanical calculations by density functional theory method at the B3LYP/6-31+G(**) level. Anharmonic frequencies and infrared intensities of the two predicted gauche and syn conformers of the vinylphosphine-borane complex were calculated in the 3500-100 cm(-1) region with the use of a variational approach, implemented in the P_ANHAR_V1.2 code. Because of the relatively weak interaction between the vinylphosphine and the monoborane, the vibrations of the complex can easily be subdivided into modes localized in the CH(2)=CHPH(2) and BH(3) moieties and into "intermolecular" modes. Localized modes are unambiguously correlated with the modes of the isolated monomers. Therefore, they are described in terms of the monomer vibrations, and the complexation shifts are defined as Delta nu = nu(complex) - nu(monomer) to make the effect of the complexation precise on each localized mode. In this objective, anharmonic frequencies and infrared intensities of the BH(3) monomer and the stable gauche and syn conformers of the free vinylphosphine were obtained at the same level of theory. In the gas phase, only the syn form of the complex was observed and assigned. All theoretically predicted frequencies and complexation shifts in magnitude and

  6. Does Moisture Influence the Chemical Detection of Gas Molecules Adsorbed on Single-Wall Carbon Nanotubes?

    Science.gov (United States)

    Yu, Ming; Tian, W. Q.; Jayanthi, C. S.; Wu, S. Y.

    2009-03-01

    In this work, the role of water in the detection of hydrazine (N2H4) by a single-wall carbon nanotube (SWCNT) is investigated using first principles electronic structure calculations (DFT/GGA--USPP)[1]. This calculation is undertaken to interpret the experimental resistivity measurements for N2H4 adsorbed on SWCNT that reveal an n-type behavior [2]. Our preliminary theoretical studies of the adsorption of N2H4 on SWCNT revealed physisorption for N2H4 and an unaltered band structure for the SWCNT [3]. This prompted us to look into the role of water on the bonding of N2H4 to the SWCNT. We found that, by introducing a monolayer of water film on the (8,0) SWCNT, the adsorption of N2H4 can introduce occupied states near the Fermi level, exhibiting an n-type behavior. However, the introduction of just few water molecules was not sufficient to influence the electronic structure of N2H4/SWCNT. Presently, we are studying the influence of water films on the chemical detection of a variety of other gas molecules (N2, NH3, etc.) by SWCNTs, and the results from such studies will also be reported. [1]. G. Kresse et al. Phys. Rev. B 54, 11169 (1996). [2]. S. Desai, et al. (APS, March 2008). [3]. M. Yu, et al. (APS, March 2008).

  7. Thermal barrier coatings on gas turbine blades: Chemical vapor deposition (Review)

    Science.gov (United States)

    Igumenov, I. K.; Aksenov, A. N.

    2017-12-01

    Schemes are presented for experimental setups (reactors) developed at leading scientific centers connected with the development of technologies for the deposition of coatings using the CVD method: at the Technical University of Braunschweig (Germany), the French Aerospace Research Center, the Materials Research Institute (Tohoku University, Japan) and the National Laboratory Oak Ridge (USA). Conditions and modes for obtaining the coatings with high operational parameters are considered. It is established that the formed thermal barrier coatings do not fundamentally differ in their properties (columnar microstructure, thermocyclic resistance, thermal conductivity coefficient) from standard electron-beam condensates, but the highest growth rates and the perfection of the crystal structure are achieved in the case of plasma-chemical processes and in reactors with additional laser or induction heating of a workpiece. It is shown that CVD reactors can serve as a basis for the development of rational and more advanced technologies for coating gas turbine blades that are not inferior to standard electron-beam plants in terms of the quality of produced coatings and have a much simpler and cheaper structure. The possibility of developing a new technology based on CVD processes for the formation of thermal barrier coatings with high operational parameters is discussed, including a set of requirements for industrial reactors, high-performance sources of vapor precursors, and promising new materials.

  8. Off-Gas Generation Rate during Chemical Cleaning Operations at the Savannah River Site - 12499

    Energy Technology Data Exchange (ETDEWEB)

    Wiersma, Bruce J. [Savannah River National Laboratory, Aiken, SC 29808 (United States); Subramanian, Karthik H.; Ketusky, Edward T. [Savannah River Remediation, Aiken, SC 29808 (United States)

    2012-07-01

    The enhanced chemical cleaning process (ECC) is being developed at the Savannah River Site (SRS) to remove the residual radioactive sludge heel that remains in a liquid waste storage tank. Oxalic acid is the chemical agent utilized for this purpose. However, the acid also corrodes the carbon steel tank wall and cooling coils. If the oxalic acid has little interaction with the sludge, hydrogen gas could conceivably evolve at cathodic areas due to the corrosion of the carbon steel. Scenarios where hydrogen evolution could occur during ECC include the initial filling of the tank prior to agitation and near the end of the process when there is little or no sludge present. The purpose of this activity was to provide a bounding estimate for the hydrogen generation rate during the ECC process. Sealed vessel coupon tests were performed to estimate the hydrogen generation rate due to corrosion of carbon steel by oxalic acid. These tests determined the maximum instantaneous hydrogen generation rate, the rate at which the generation rate decays, and the total hydrogen generated. The tests were performed with polished ASTM A285 Grade C carbon steel coupons. This steel is representative of the Type I and II waste tanks at SRS. Bounding conditions were determined for the solution environment. The oxalic acid concentration was 2.5 wt.% and the test temperature was 75 deg. C. The test solution was agitated and contained no sludge simulant. Duplicate tests were performed and showed excellent reproducibility for the hydrogen generation rate and total hydrogen generated. The results showed that the hydrogen generation rate was initially high, but decayed rapidly within a couple of days. A statistical model was developed to predict the instantaneous hydrogen generation rate as a function of exposure time by combining both sets of data. An upper bound on the maximum hydrogen generation rate was determined from the upper 95% confidence limit. The upper bound limit on the maximum

  9. The impact of lignin down regulation on alfalfa yield, chemical composition and in vitro gas production.

    Science.gov (United States)

    Getachew, G; Laca, E A; Putnam, D H; Witte, D; McCaslin, M; Ortega, K P; DePeters, E J

    2018-02-06

    Lignin is a complex, phenolic polymer found in plant cell walls that is essential for mechanical support, water and mineral transport, and defense in vascular plants. Over 10 different enzymes play a role in the synthesis of lignin in plants. Suppression of any one enzyme or combinations of these enzymes may change the concentration and composition of lignin in the genetically transformed plants. Two lines of alfalfa that were down regulated for caffeoyl-CoA O-methyltransferase (CCOMT) were used to assess the impact of lignin down-regulation on chemical composition and fermentation rate and extent using an in vitro gas production technique. A total of 64 samples consisting two reduced lignin (RL) and two controls (CL)), four field replicates, two cutting intervals (CI) (28 and 35 days) and two Cuts (Cut -1 and Cut-3) were used. No differences were detected in yield, CP, NDF, and ADF between the lines when harvested at the 28-day CI. The ADL concentration in RL alfalfa lines was significantly (p<0.001) lower than in the CL. In alfalfa harvested at the 35-day CI, the reduced lignin alfalfa resulted in lower (P<0.001) yield than controls. Reduced lignin alfalfa lines had 24% and 22% lower (P<0.001) ADL in cuts 1 and 3 than CL lines respectively. . The IVDMD NIR and NDF NIR were greater (p<0.001) in RL than CL lines harvested at the 35-day CI. In alfalfa harvested at the 35-day CI, extent of in vitro gas production and ME content were greater in RL than in CL alfalfa. Although lignin down regulation did reduce ADL, its effect on digestibility was partly counteracted by a reduction of NDF degradability in RL relative to CL alfalfa. Reduced lignin lines had 3.8 % whereas CL had 3.4% (p<0.01) indigestible NDF per unit ADL. The positive effect of lignin down-regulation was more pronounced when intervals between harvests were longer (35-day compared with the 28-day CI). This offers an opportunity to extend harvesting time (CI) for higher yield without compromising the

  10. Chemical differentiation of Boswellia sacra and Boswellia carterii essential oils by gas chromatography and chiral gas chromatography-mass spectrometry

    NARCIS (Netherlands)

    Woolley, C.L.; Suhail, M.M.; Smith, B.L.; Boren, K.E.; Taylor, L.C.; Schreuder, M.F.; Chai, J.K.; Casabianca, H.; Haq, S.; Lin, H.K.; Al-Shahri, A.A.; Al-Hatmi, S.; Young, D.G.

    2012-01-01

    Major botanical and scientific references currently identify two species of frankincense, Boswellia carterii and Boswellia sacra, as being synonymous. We evaluated the Somalian (B. carterii) and Omani/Yemeni (B. sacra) species by chemical analyses to determine if there were any minor or major

  11. Analysis of chemical profiles of insect adhesion secretions by gas chromatography–mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Reitz, Manuela [Institute of Organic Chemistry, University of Tübingen, Auf der Morgenstelle 8, 72076 Tübingen (Germany); Gerhardt, Heike [Institute of Pharmaceutical Sciences, University of Tübingen, Auf der Morgenstelle 8, 72076 Tübingen (Germany); Schmitt, Christian; Betz, Oliver [Institute of Evolution and Ecology, University of Tübingen, Auf der Morgenstelle 28, 72076 Tübingen (Germany); Albert, Klaus, E-mail: klaus.albert@uni-tuebingen.de [Institute of Organic Chemistry, University of Tübingen, Auf der Morgenstelle 8, 72076 Tübingen (Germany); Lämmerhofer, Michael, E-mail: michael.laemmerhofer@uni-tuebingen.de [Institute of Pharmaceutical Sciences, University of Tübingen, Auf der Morgenstelle 8, 72076 Tübingen (Germany)

    2015-01-07

    Highlights: • Adhesion secretions of desert locust analyzed by GC–MS. • Insect secretions are composed of apolar and polar constituents. • Sampling simplified with contact SPME as compared to solvent sampling. • Thin-film SPME-GC–MS revealed complex alkane patterns for insect secretions. • Differences in tarsal (feet) secretions and samples from tibiae (upper legs) identified. - Abstract: This article reports on the chemical analysis of molecular profiles of tarsal secretions of the desert locust Schistocerca gregaria (Forsskål, 1775) by gas chromatography hyphenated with quadrupol mass spectrometry (GC–MS) as well as {sup 1}H-nuclear magnetic resonance ({sup 1}H NMR) spectroscopy. Special focus of this study was to elaborate on sampling methods which enable selective microscale extraction of insect secretions in a spatially controlled manner, in particular tarsal adhesive secretions and secretions located on cuticle surfaces at the tibia. Various solvent sampling procedures and contact solid-phase microextraction (SPME) methods were compared in terms of comprehensiveness and extraction efficiencies as measured by signal intensities in GC–MS. Solvent sampling with water as extraction solvent gave access to the elucidation of chemical profiles of polar compound classes such as amino acids and carbohydrates, but is extremely tedious. Contact SPME on the other hand can be regarded as a simplified and more elegant alternative, in particular for the lipophilic compound fraction. Many proteinogenic amino acids and ornithine as well as carbohydrate monomers arabinose, xylose, glucose, and galactose were detected in tarsal secretions after acid hydrolysis of aqueous extracts. Qualitatively similar but quantitatively significantly different molecular profiles were found for the lipid fraction which contained mainly n-alkanes and internally branched monomethyl-, dimethyl-, and trimethyl-alkanes in the C23–C49 range as well as long chain fatty acids and

  12. Hot-Wire Chemical Vapor Deposition Of Polycrystalline Silicon : From Gas Molecule To Solar Cell

    Science.gov (United States)

    van Veenendaal, P. A. T. T.

    2002-10-01

    Although the effort to investigate the use of renewable energy sources, such as wind and solar energy, has increased, their contribution to the total energy consumption remains insignificant. The conversion of solar energy into electricity through solar cells is one of the most promising techniques, but the use of these cells is limited by the high cost of electricity. The major contributions to these costs are the material and manufacturing costs. Over the past decades, the development of silicon based thin film solar cells has received much attention, because the fabrication costs are low. A promising material for use in thin film solar cells is polycrystalline silicon (poly-Si:H). A relatively new technique to deposit poly-Si:H is Hot-Wire Chemical Vapor Deposition (Hot-Wire CVD), in which the reactant gases are catalytically decomposed at the surface of a hot filament, mainly tungsten and tantalum. The main advantages of Hot-Wire CVD over PE-CVD are absence of ion bombardment, high deposition rate, low equipment cost and high gas utilization. This thesis deals with the full spectrum of deposition, characterization and application of poly-Si:H thin films, i.e. from gas molecule to solar cell. Studies on the decomposition of silane on the filament showed that the process is catalytic of nature and that silane is decomposed into Si and 4H. The dominant gas phase reaction is the reaction of Si and H with silane, resulting in SiH3, Si2H6, Si3H6 and H2SiSiH2. The film growth precursors are Si, SiH3 and Si2H4. Also, XPS results on used tantalum and tungsten filaments are discussed. The position dependent measurements show larger silicon contents at the ends of the tungsten filament, as compared to the middle, due to a lower filament temperature. This effect is insignificant for a tantalum filament. Deposition time dependent measurements show an increase in silicon content of the tungsten filament with time, while the silicon content on the tantalum filament saturates

  13. TREATMENT TANK OFF-GAS TESTING FOR THE ENHANCED CHEMICAL CLEANING PROCESS

    Energy Technology Data Exchange (ETDEWEB)

    Wiersma, B.

    2011-08-29

    The purpose of this activity was to provide a bounding estimate of the volume of hydrogen gas generated during Enhanced Chemical Cleaning (ECC) of residual sludge remaining in a Type I or Type II treatment tank as well as to provide results independent of the sludge volume in the waste tank to be cleaned. Previous testing to support Chemical Cleaning was based on a 20:1 oxalic acid to sludge ratio. Hydrogen gas evolution is the primary safety concern. Sealed vessel coupon tests were performed to estimate the hydrogen generation rate due to corrosion of carbon steel by 2.5 wt.% oxalic acid. These tests determined the maximum instantaneous hydrogen generation rate, the rate at which the generation rate decays, and the total hydrogen generated. These values were quantified based on a small scale methodology similar to the one described in WSRC-STI-2007-00209, Rev. 0. The measured rates support identified Safety Class functions. The tests were performed with ASTM A285 Grade C carbon steel coupons. Bounding conditions were determined for the solution environment. The oxalic acid concentration was 2.5 wt.% and the test temperature was 75 C. The test solution was agitated and contained no sludge simulant. Duplicate tests were performed and showed excellent reproducibility for the hydrogen generation rate and total hydrogen generated. The results showed that the hydrogen generation rate was initially high, but decayed rapidly within a couple of days. A statistical model was developed to predict the instantaneous hydrogen generation rate as a function of exposure time by combining both sets of data. An upper bound on the maximum hydrogen generation rate was determined from the upper 95% confidence limit. The upper bound confidence limit for the hydrogen generation rate is represented by the following equation. ln (G{sub v}) = -8.22-0.0584 t + 0.0002 t{sup 2}. This equation should be utilized to estimate the instantaneous hydrogen generation rate per unit surface area, G

  14. Magnesium carbide synthesis from methane and magnesium oxide - a potential methodology for natural gas conversion to premium fuels and chemicals

    Energy Technology Data Exchange (ETDEWEB)

    Diaz, A.F.; Modestino, A.J.; Howard, J.B. [Massachusetts Institute of Technology, Cambridge, MA (United States)] [and others

    1995-12-31

    Diversification of the raw materials base for manufacturing premium fuels and chemicals offers U.S. and international consumers economic and strategic benefits. Extensive reserves of natural gas in the world provide a valuable source of clean gaseous fuel and chemical feedstock. Assuming the availability of suitable conversion processes, natural gas offers the prospect of improving flexibility in liquid fuels and chemicals manufacture, and thus, the opportunity to complement, supplement, or displace petroleum-based production as economic and strategic considerations require. The composition of natural gas varies from reservoir to reservoir but the principal hydrocarbon constituent is always methane (CH{sub 4}). With its high hydrogen-to-carbon ratio, methane has the potential to produce hydrogen or hydrogen-rich products. However, methane is a very chemically stable molecule and, thus, is not readily transformed to other molecules or easily reformed to its elements (H{sub 2} and carbon). In many cases, further research is needed to augment selectivity to desired product(s), increase single-pass conversions, or improve economics (e.g. there have been estimates of $50/bbl or more for liquid products) before the full potential of these methodologies can be realized on a commercial scale. With the trade-off between gas conversion and product selectivity, a major challenge common to many of these technologies is to simultaneously achieve high methane single-pass conversions and high selectivity to desired products. Based on the results of the scoping runs, there appears to be strong indications that a breakthrough has finally been achieved in that synthesis of magnesium carbides from MgO and methane in the arc discharge reactor has been demonstrated.

  15. Effect of Byproducts of Flue Gas Desulfurization on the Soluble Salts Composition and Chemical Properties of Sodic Soils

    OpenAIRE

    Jinman Wang; Zhongke Bai; Peiling Yang

    2013-01-01

    The byproducts of flue gas desulfurization (BFGD) are a useful external source of Ca(2+) for the reclamation of sodic soils because they are comparatively cheap, generally available and have high gypsum content. The ion solution composition of sodic soils also plays an important role in the reclamation process. The effect of BFGD on the soluble salts composition and chemical properties of sodic soils were studied in a soil column experiment. The experiment consisted of four treatments using t...

  16. Assessment of the chemical changes during storage of phenol-formaldehyde resins pyrolysis gas chromatography mass spectrometry, inverse gas chromatography and Fourier transform infra red methods.

    Science.gov (United States)

    Strzemiecka, B; Voelkel, A; Zięba-Palus, J; Lachowicz, T

    2014-09-12

    The chemical changes occurring in the phenol-formaldehyde resins (resol and novolac type) during their storage were investigated. In this paper the FT-IR, py-GCMS and inverse gas chromatography methods were applied for assessment of the changes occurring during storage of the phenolic resins. We have found that during storage some examined resins occurred partial curing. The results from all techniques applied are consistent. Py-GCMS is useful technique for screening the storage processes but IGC seems to be most sensitive one. Copyright © 2014 Elsevier B.V. All rights reserved.

  17. The development and application of dynamic operational risk assessment in oil/gas and chemical process industry

    Energy Technology Data Exchange (ETDEWEB)

    Yang Xiaole [Mary Kay O' Connor Process Safety Center, Artie McFerrin Department of Chemical Engineering, Texas A and M University System, College Station, TX 77843-3122 (United States); Mannan, M. Sam, E-mail: mannan@tamu.ed [Mary Kay O' Connor Process Safety Center, Artie McFerrin Department of Chemical Engineering, Texas A and M University System, College Station, TX 77843-3122 (United States)

    2010-07-15

    A methodology of dynamic operational risk assessment (DORA) is proposed for operational risk analysis in oil/gas and chemical industries. The methodology is introduced comprehensively starting from the conceptual framework design to mathematical modeling and to decision making based on cost-benefit analysis. The probabilistic modeling part of DORA integrates stochastic modeling and process dynamics modeling to evaluate operational risk. The stochastic system-state trajectory is modeled according to the abnormal behavior or failure of each component. For each of the possible system-state trajectories, a process dynamics evaluation is carried out to check whether process variables, e.g., level, flow rate, temperature, pressure, or chemical concentration, remain in their desirable regions. Component testing/inspection intervals and repair times are critical parameters to define the system-state configuration, and play an important role for evaluating the probability of operational failure. This methodology not only provides a framework to evaluate the dynamic operational risk in oil/gas and chemical industries, but also guides the process design and further optimization. To illustrate the probabilistic study, we present a case-study of a level control in an oil/gas separator at an offshore plant.

  18. 75 FR 38092 - The Dow Chemical Company; Application for Blanket Authorization To Export Liquefied Natural Gas

    Science.gov (United States)

    2010-07-01

    ... Gas Global Security and Supply, Office of Fossil Energy, Forrestal Building, Room 3E-042, 1000... positive international effects. Further details can be found in the Application. Environmental Impact Dow....S. Department of Energy (FE-34), Office of Oil and Gas Global Security and Supply, Office of Fossil...

  19. Quality of Life of Chemically-Disabled War Veterans Involved in Pulmonary Complications of Sulfur Mustard Gas in Sardasht

    Directory of Open Access Journals (Sweden)

    Abbasi M

    2012-01-01

    Full Text Available Background and Objectives: Chemical gasses, particularly Sulfur Mustard, have a negative impact on physical, psychological, social and spiritual aspects of quality of life of those suffering from this gas. It is so serious that even 20 years after being exposed to Sulfur Mustard, we can witness people who are still suffering from various damages of organs particularly the pulmonary system. This research aimed at determining the quality of life of chemically-disabled war veterans with pulmonary complications of Sulfur Mustard from physical, social, psychological, and spiritual aspects.Methods: This was a descriptive study in which 260 chemically-disabled war veterans living in Sardasht, Iran then, were randomly selected for the study. It should be mentioned that all these people are now treated as chemically-disabled war veterans suffering from the pulmonary complications of Sulfur Mustard Gas and were living in Sardasht at the time of bombardment of that city. Having been acquainted with the procedure, they were then asked to fill in the questionnaires.Results: The results showed that quality of life in 71.5% of the samples was moderate, only in 5.8%, it was considered as good. 11.9% of them in physical domain, 8.1% in psychological domain, 1.9% in social domain, and 22.8% in spiritual domain had a good quality of life. Conclusion: Based on the findings, the quality of life in the social, physical and psychological domains was 1.9%, 11.9% and 8.1% poor, therefore; responsible organizations can help these people in various ways by, for example, providing them with low price drugs, which are usually costly in the market, public transportation designed especially for chemically-disabled war veterans, improving insurance services and developing public services in Sardasht. The researchers, finally suggests a qualitative study be performed on each domain of quality of life of chemically-disabled war veterans.

  20. Numerical modeling of gas mixing and bio-chemical transformations during underground hydrogen storage within the project H2STORE

    Science.gov (United States)

    Hagemann, B.; Feldmann, F.; Panfilov, M.; Ganzer, L.

    2015-12-01

    The change from fossil to renewable energy sources is demanding an increasing amount of storage capacities for electrical energy. A promising technological solution is the storage of hydrogen in the subsurface. Hydrogen can be produced by electrolysis using excessive electrical energy and subsequently converted back into electricity by fuel cells or engine generators. The development of this technology starts with adding small amounts of hydrogen to the high pressure natural gas grid and continues with the creation of pure underground hydrogen storages. The feasibility of hydrogen storage in depleted gas reservoirs is investigated in the lighthouse project H2STORE financed by the German Ministry for Education and Research. The joint research project has project members from the University of Jena, the Clausthal University of Technology, the GFZ Potsdam and the French National Center for Scientic Research in Nancy. The six sub projects are based on laboratory experiments, numerical simulations and analytical work which cover the investigation of mineralogical, geochemical, physio-chemical, sedimentological, microbiological and gas mixing processes in reservoir and cap rocks. The focus in this presentation is on the numerical modeling of underground hydrogen storage. A mathematical model was developed which describes the involved coupled hydrodynamic and microbiological effects. Thereby, the bio-chemical reaction rates depend on the kinetics of microbial growth which is induced by the injection of hydrogen. The model has been numerically implemented on the basis of the open source code DuMuX. A field case study based on a real German gas reservoir was performed to investigate the mixing of hydrogen with residual gases and to discover the consequences of bio-chemical reactions.

  1. Effects of Steam and CO2 in the Fluidizing Gas when Using Bituminous Coal in Chemical-Looping Combustion

    Science.gov (United States)

    Leion, H.; Lyngfelt, A.; Mattisson, T.

    Chemical-looping combustion (CLC) is a combustion technology where an oxygen carrier is used to transfer oxygen from the combustion air to the fuel in order to avoid direct contact between air and fuel. Thus, the CO2 is inherently separated from the flue gases with a potential for considerably lower energy penalty and cost compared to other techniques for CO2 separation. The oxygen carrier is circulated between two reactors, a fuel and an air reactor, where the flue gas from the air reactor contains oxygen depleted air and the flue gas from the fuel reactor contains mainly CO2 and H2O. The water can easily be condensed and the remaining CO2 can be transported for underground storage. Most of the prior work with CLC has focused on using natural gas and syngas as fuel and oxygen carrying material normally produced from pure chemicals. However, recent work on adapting the CLC process for solid fuels with ores and natural minerals as oxygen carrier shows promising results. This paper will present results from reactivity investigations in a laboratory fluidized-bed reactor system using previously investigated natural mineral ilmenite as oxygen carrier and a bituminous Colombian coal as fuel. Experiments were conducted at a temperature of 970°C with N2, steam, and/or CO2 in the fluidizing gas. Synergy effects between steam and CO2 on fuel conversion was noted. The results show that the fuel conversion was a roughly a factor 5 faster with steam as compared to CO2 in the fluidizing gas.

  2. Source Characterization of Heavy Gas Dispersion Models for Reactive Chemicals. Volume 1

    Science.gov (United States)

    1987-12-21

    Temperatura TC10263,3 K (K) f Liquid aerosol TAIRw30 0 K mass fraction in fl " 75% MO unmixed sulfur dioxide cloud 1nil 0.1 it 100 1o0 Mass Air / Mass Sulfur...Using gas sensor instruments that were optimized for liquefied natural gas (LNG) detection and which did not perform as expected during all of the...3) Assuming the gas sensors at 25 meters downwind would only detect N204 and not NO2 . The downwind average centerline volume percent concentrations

  3. Evaluation of reduced chemical kinetic mechanisms used for modeling mild combustion for natural gas

    Directory of Open Access Journals (Sweden)

    Hamdi Mohamed

    2009-01-01

    Full Text Available A numerical and parametric study was performed to evaluate the potential of reduced chemistry mechanisms to model natural gas chemistry including NOx chemistry under mild combustion mode. Two reduced mechanisms, 5-step and 9-step, were tested against the GRI-Mech3.0 by comparing key species, such as NOx, CO2 and CO, and gas temperature predictions in idealized reactors codes under mild combustion conditions. It is thus concluded that the 9-step mechanism appears to be a promising reduced mechanism that can be used in multi-dimensional codes for modeling mild combustion of natural gas.

  4. Chemical and physical properties of gas hydrates; Chemische und physikalische Eigenschaften von Gashydraten

    Energy Technology Data Exchange (ETDEWEB)

    Meyn, V. [Inst. fuer Erdoel- und Erdgasforschung, Clausthal-Zellerfeld (Germany)

    1997-12-31

    Numerous properties of gas hydrates can be inferred directly from their phase behaviour. The present contribution gives a short overview of the properties of gas hydrates using pressure-temperature curves to depict their phase behaviour. It also describes the growth kinetics and inhibition of gas hydrates. (MSK) [Deutsch] Eine Vielzahl der Eigenschaften von Gashydraten lassen sich direkt aus ihrem Phasenverhalten herleiten. In kurzer Form wird ein Ueberblick ueber die Eigenschaften der Gashydrate gegeben. Druck-Temperatur-Diagramme erlaeutern des Phasenverhalten. Ebenso wird die Wachstumskinetik und die Inhibierung der Gashydrate beschrieben.

  5. Analysis of chemical signals in red fire ants by gas chromatography and pattern recognition techniques

    Science.gov (United States)

    The combination of gas chromatography and pattern recognition (GC/PR) analysis is a powerful tool for investigating complicated biological problems. Clustering, mapping, discriminant development, etc. are necessary to analyze realistically large chromatographic data sets and to seek meaningful relat...

  6. The evolution of structural and chemical heterogeneity during rapid solidification at gas atomization

    Science.gov (United States)

    Golod, V. M.; Sufiiarov, V. Sh

    2017-04-01

    Gas atomization is a high-performance process for manufacturing superfine metal powders. Formation of the powder particles takes place primarily through the fragmentation of alloy melt flow with high-pressure inert gas, which leads to the formation of non-uniform sized micron-scale particles and subsequent their rapid solidification due to heat exchange with gas environment. The article presents results of computer modeling of crystallization process, simulation and experimental studies of the cellular-dendrite structure formation and microsegregation in different size particles. It presents results of adaptation of the approach for local nonequilibrium solidification to conditions of crystallization at gas atomization, detected border values of the particle size at which it is possible a manifestation of diffusionless crystallization.

  7. Evaluation of soil-gas transport of organic chemicals into residential buildings: Final report

    Energy Technology Data Exchange (ETDEWEB)

    Hodgson, A.T.; Garbesi, K.; Sextro, R.G.; Daisey, J.M.

    1988-06-01

    This investigation consisted of theoretical, laboratory, and field study phases with the overall objective of determining the importance of pressure-driven flow of soil gas in the transport of volatile organic compounds (VOC) from soil into a house. In the first phase, the mechanisms of advection, diffusion, and retardation of VOC in soil were evaluated. Using the theory of fluid mechanics and empirical for equilibrium partitioning of VOC among gas, aqueous, and solid phase of soil, a one-dimensional advection-diffusion equation or the transport of gas-phase VOC through soil was developed. An experimental apparatus and method were developed for the direct observation of pressure-driven transport of VOC through soil under controlled laboratory conditions. The retardation of sulfur hexafluoride (SF/sub 6/) and hexafluorobenzene with respect to the flow of the bulk gas was measured in soil-column experiments using different soils and soil-moisture conditions. The results were in good agreement with theoretical predictions. Since SF/sub 6/ was not lost by sorption to soil, it was selected for use as a tracer gas in the field study to study the advective flow of soil gas. The overall objective of the investigation was directly addressed by the field study. This study was conducted at a house which has a basement and which was located adjacent to a covered municipal landfill. The soil at the site was characterized, pressure coupling between the basement and surrounding soil was measured, the entry rate of soil gas as a function of basement depressurization was measured, and VOC in soil gas, indoor air and outdoor air were quantified. 46 refs., 18 figs., 11 tabs.

  8. Synthesis, Postmodification, Metalation, and Gas Adsorption in Chemically Stable Metal Organic Frameworks and Zeolitic Imidazolate Frameworks.

    OpenAIRE

    Morris, William

    2012-01-01

    Metal Organic Frameworks (MOFs) and Zeolitic Imidazolate Frameworks (ZIFs) are porous crystalline materials comprised of organic units (links) and metal oxide units (secondary building units) with surface areas often exceeding 1000 m2/g. These materials are finding increased applications in gas storage, gas separation, and catalysis. In this thesis new MOFs and ZIFs are synthesized to further these applications. Special attention is paid to the synthesis of frameworks, which can be postsynthe...

  9. Chemical differentiation of Boswellia sacra and Boswellia carterii essential oils by gas chromatography and chiral gas chromatography-mass spectrometry.

    Science.gov (United States)

    Woolley, Cole L; Suhail, Mahmoud M; Smith, Brett L; Boren, Karen E; Taylor, Lindsey C; Schreuder, Marc F; Chai, Jeremiah K; Casabianca, Hervé; Haq, Sadqa; Lin, Hsueh-Kung; Al-Shahri, Ahmed A; Al-Hatmi, Saif; Young, D Gary

    2012-10-26

    Major botanical and scientific references currently identify two species of frankincense, Boswellia carterii and Boswellia sacra, as being synonymous. We evaluated the Somalian (B. carterii) and Omani/Yemeni (B. sacra) species by chemical analyses to determine if there were any minor or major differences between the two species of frankincense. Components identified with their average percent for B. sacra are α-thujene (0.6%), α-pinene (68.2%), camphene (2.1%), sabinene (2.9%), β-pinene (2.0%), myrcene (0.7%), limonene+β-phellandrene (6.2%). Components identified with their average percent for B. carterii are α-thujene (7.9%), α-pinene (37.3%), camphene (0.8%), sabinene (4.9%), β-pinene (1.8%), myrcene (7.3%), limonene+β-phellandrene (14.4%). Initially, GC-MS analysis did not reveal major statistical differences. However, optical rotation values, B. Sacra (+30.1°) and B. carterii (-13.3°), demonstrated a greater significant difference. Enantiomeric ratio (+)/(-) values of α-pinene for B. sacra and B. carterii are 8.24 and 0.68, respectively, were also calculated aiding our conclusion that B. sacra and B. carterii are not synonymous but rather two distinct and individual frankincense species. Copyright © 2012 Elsevier B.V. All rights reserved.

  10. Crack-free yttria stabilized zirconia thin films by aerosol assisted chemical vapor deposition: Influence of water and carrier gas

    Energy Technology Data Exchange (ETDEWEB)

    Schlupp, M.V.F., E-mail: Meike.Schlupp@mat.ethz.ch [Nonmetallic Inorganic Materials, ETH Zuerich, Wolfgang-Pauli-Str. 10, 8093 Zuerich (Switzerland); Binder, S.; Martynczuk, J.; Prestat, M. [Nonmetallic Inorganic Materials, ETH Zuerich, Wolfgang-Pauli-Str. 10, 8093 Zuerich (Switzerland); Gauckler, L.J. [Nonmetallic Inorganic Materials, ETH Zuerich, Wolfgang-Pauli-Str. 10, 8093 Zuerich (Switzerland); International Institute for Carbon Neutral Energy Research (WPI-I2CNER), Kyushu University, 744 Moto-oka, Nishi-ku, Fukuoka 819-0395 (Japan)

    2012-11-01

    Yttria stabilized zirconia thin films are deposited on silicon single crystal substrates by aerosol assisted chemical vapor deposition from precursor solutions of zirconium and yttrium 2,4-pentanedionate in ethanol. Continuous films are obtained using pure oxygen, pure nitrogen, or mixtures of both as carrier gas. In the simultaneous presence of water and oxygen, crack formation is observed for films deposited at intermediate substrate temperatures (450 Degree-Sign C), while those deposited at low (300 Degree-Sign C) and high (600 Degree-Sign C) temperatures remain crack-free. Crack-free films can be deposited at 450 Degree-Sign C in a water-free setting, or in the presence of water using pure nitrogen as carrier gas. The addition of water to the precursor solutions also significantly reduces film growth rates. - Highlights: Black-Right-Pointing-Pointer Thin film deposition by aerosol assisted chemical vapor deposition (AA-CVD) Black-Right-Pointing-Pointer Yttria stabilized zirconia (YSZ) thin films deposited between 300 Degree-Sign C and 600 Degree-Sign C Black-Right-Pointing-Pointer Water decreases growth rates and leads to crack formation in AA-CVD of YSZ. Black-Right-Pointing-Pointer Crack-free YSZ thin films deposited using oxygen and/or nitrogen as carrier gas Black-Right-Pointing-Pointer YSZ thin films deposited by AA-CVD show low shrinkage on annealing at 1000 Degree-Sign C.

  11. LSENS: A General Chemical Kinetics and Sensitivity Analysis Code for homogeneous gas-phase reactions. Part 3: Illustrative test problems

    Science.gov (United States)

    Bittker, David A.; Radhakrishnan, Krishnan

    1994-01-01

    LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 3 of a series of three reference publications that describe LSENS, provide a detailed guide to its usage, and present many example problems. Part 3 explains the kinetics and kinetics-plus-sensitivity analysis problems supplied with LSENS and presents sample results. These problems illustrate the various capabilities of, and reaction models that can be solved by, the code and may provide a convenient starting point for the user to construct the problem data file required to execute LSENS. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions.

  12. Towards chemical profiling of ignitable liquids with comprehensive two-dimensional gas chromatography: Exploring forensic application to neat white spirits.

    Science.gov (United States)

    Sampat, Andjoe A S; Lopatka, Martin; Vivó-Truyols, Gabriel; Schoenmakers, Peter J; van Asten, Arian C

    2016-10-01

    The application of GC×GC-FID and GC×GC-MS for the chemical analysis and profiling of neat white spirit is explored and the benefit of the enhanced peak capacity offered by comprehensive two-dimensional gas chromatography is demonstrated. An extensive sampling exercise was conducted throughout The Netherlands and the production and logistics in terms of bottling and distribution of white spirits were studied. An exploratory approach based on target-peak tables and principal component analysis was employed to study the brand-to-brand differences and production variations over time. Despite the complex chemical composition of white spirit samples this study shows that chemical variation during productions is actually quite limited. Hence care has to be taken with the chemical comparison for forensic purposes. Although some clustering was noticed on brand level, the large scale production process leads to a very consistent composition across stores and brands. However, because of the broad specifications of this commodity product, substantial chemical variation was found over time. This temporal discrimination could be of forensic value when considering white spirits supplies in individual households. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  13. In situ laser-induced breakdown spectroscopy measurements of chemical compositions in stainless steels during tungsten inert gas welding

    Science.gov (United States)

    Taparli, Ugur Alp; Jacobsen, Lars; Griesche, Axel; Michalik, Katarzyna; Mory, David; Kannengiesser, Thomas

    2018-01-01

    A laser-induced breakdown spectroscopy (LIBS) system was combined with a bead-on-plate Tungsten Inert Gas (TIG) welding process for the in situ measurement of chemical compositions in austenitic stainless steels during welding. Monitoring the weld pool's chemical composition allows governing the weld pool solidification behavior, and thus enables the reduction of susceptibility to weld defects. Conventional inspection methods for weld seams (e.g. ultrasonic inspection) cannot be performed during the welding process. The analysis system also allows in situ study of the correlation between the occurrence of weld defects and changes in the chemical composition in the weld pool or in the two-phase region where solid and liquid phase coexist. First experiments showed that both the shielding Ar gas and the welding arc plasma have a significant effect on the selected Cr II, Ni II and Mn II characteristic emissions, namely an artificial increase of intensity values via unspecific emission in the spectra. In situ investigations showed that this artificial intensity increase reached a maximum in presence of weld plume. Moreover, an explicit decay has been observed with the termination of the welding plume due to infrared radiation during sample cooling. Furthermore, LIBS can be used after welding to map element distribution. For austenitic stainless steels, Mn accumulations on both sides of the weld could be detected between the heat affected zone (HAZ) and the base material.

  14. IGE Model: An Extension of the Ideal Gas Model to Include Chemical Composition as Part of the Equilibrium State

    Directory of Open Access Journals (Sweden)

    Christopher P. Paolini

    2012-01-01

    Full Text Available The ideal gas (IG model is probably the most well-known gas models in engineering thermodynamics. In this paper, we extend the IG model into an ideal gas equilibrium (IGE model mixture model by incorporating chemical equilibrium calculations as part of the state evaluation. Through a simple graphical interface, users can set the atomic composition of a gas mixture. We have integrated this model into a thermodynamic web portal TEST (http://thermofluids.sdsu.edu/ that contains Java applets for various models for properties of pure substances. In the state panel of the IGE model, the known thermodynamic properties are entered. For a given pressure and temperature, the mixture's Gibbs function is minimized subject to atomic constraints and the equilibrium composition along with thermodynamic properties of the mixture are calculated and displayed. What is unique about this approach is that equilibrium computations are performed in the background, without requiring any major change in the familiar user interface used in other state daemons. Properties calculated by this equilibrium state daemon are compared with results from other established applications such as NASA CEA and STANJAN. Also, two different algorithms, an iterative approach and a direct approach based on minimizing different thermodynamic functions in different situation, are compared.

  15. Hot wire chemical vapor deposition chemistry in the gas phase and on the catalyst surface with organosilicon compounds.

    Science.gov (United States)

    Shi, Yujun

    2015-02-17

    CONSPECTUS: Hot wire chemical vapor deposition (HWCVD), also referred to as catalytic CVD (Cat-CVD), has been used to produce Si-containing thin films, nanomaterials, and functional polymer coatings that have found wide applications in microelectronic and photovoltaic devices, in automobiles, and in biotechnology. The success of HWCVD is largely due to its various advantages, including high deposition rate, low substrate temperatures, lack of plasma-induced damage, and large-area uniformity. Film growth in HWCVD is induced by reactive species generated from primary decomposition on the metal wire or from secondary reactions in the gas phase. In order to achieve a rational and efficient optimization of the process, it is essential to identify the reactive species and to understand the chemical kinetics that govern the production of these precursor species for film growth. In this Account, we report recent progress in unraveling the complex gas-phase reaction chemistry in the HWCVD growth of silicon carbide thin films using organosilicon compounds as single-source precursors. We have demonstrated that laser ionization mass spectrometry is a powerful diagnostic tool for studying the gas-phase reaction chemistry when combined with the methods of isotope labeling and chemical trapping. The four methyl-substituted silane molecules, belonging to open-chain alkylsilanes, dissociatively adsorb on W and Ta filaments to produce methyl radical and H2 molecule. Under the typical deposition pressures, with increasing number of methyl substitution, the dominant chemistry occurring in the gas phase switches from silylene/silene reactions to free-radical short chain reactions. This change in dominant reaction intermediates from silylene/silene to methyl radicals explains the observation from thin film deposition that silicon carbide films become more C-rich with a decreasing number of Si-H bonds in the four precursor molecules. In the case of cyclic monosilacyclobutanes, we have

  16. Chemical composition and the nutritive value of pistachio epicarp (in situ degradation and in vitro gas production techniques

    Directory of Open Access Journals (Sweden)

    Somayeh Bakhshizadeh

    2014-04-01

    Full Text Available The nutritive value of pistachio epicarp (PE was evaluated by in situ and in vitro techniques. Chemical analysis indicated that PE was high in crude protein (11.30% and low in neutral detergent fiber (26.20%. Total phenols, total tannins, condensed tannins and hydrolysable tannins contents in PE were 8.29%, 4.48%, 0.49% and 3.79%, respectively. Ruminal dry matter and crude protein degradation after 48 hr incubation were 75.21% and 82.52%, respectively. The gas production volume at 48 hr for PE was 122.47 mL g-1DM. As a whole, adding polyethylene glycol (PEG to PE increased (p < 0.05 gas production volumes, organic matter digestibility and the metabolizable energy that illustrated inhibitory effect of phenolics on rumen microbial fermentation and the positive influence of PEG on digestion PE. The results showed that PE possessed potentials to being used as feed supplements.

  17. Thermodynamic performance of SNG and power coproduction from MSW with recovery of chemical unreacted gas.

    Science.gov (United States)

    Fan, Junming; Hong, Hui; Zhang, Le; Li, Luling; Jin, Hongguang

    2017-09-01

    A cogeneration system for simultaneously producing synthetic natural gas (SNG) and electric power from municipal solid waste (MSW) is developed. This process provides a disposal method for MSW that is environmentally sustainable and uses as an alternative energy sources. Rather than converting all of the synthesis gas into end products, in the proposed system the unconverted gas is recovered for power generation in a combined-cycle unit. The overall efficiency of the proposed system is 36.33%. The energy efficiency of this system is approximately 8.7% higher than that of a standalone SNG production system, and 15.02% higher than that of an MSW incineration system. A sensitivity analysis shows that by increasing the H2/CO ratio (α), SNG production and SNG conversion efficiency can be increased, but the overall efficiency does not increase. Increasing the recycling ratio of the unconverted gas (Ru) benefits for the SNG yield up to a value before Ru/(Ru+1)=0.7, and the overall system efficiency reaches its maximum value at Ru/(Ru+1)=0.9. Therefore, partial recycling of the unreacted gas is more efficient up to a point, and higher recycling ratios are less efficient. Copyright © 2017. Published by Elsevier Ltd.

  18. Chemically synthesized PbS Nano particulate thin films for a rapid NO2 gas sensor

    Directory of Open Access Journals (Sweden)

    Burungale Vishal V.

    2016-03-01

    Full Text Available Rapid NO2 gas sensor has been developed based on PbS nanoparticulate thin films synthesized by Successive Ionic Layer Adsorption and Reaction (SILAR method at different precursor concentrations. The structural and morphological properties were investigated by means of X-ray diffraction and field emission scanning electron microscope. NO2 gas sensing properties of PbS thin films deposited at different concentrations were tested. PbS film with 0.25 M precursor concentration showed the highest sensitivity. In order to optimize the operating temperature, the sensitivity of the sensor to 50 ppm NO2 gas was measured at different operating temperatures, from 50 to 200 °C. The gas sensitivity increased with an increase in operating temperature and achieved the maximum value at 150 °C, followed by a decrease in sensitivity with further increase of the operating temperature. The sensitivity was about 35 % for 50 ppm NO2 at 150 °C with rapid response time of 6 s. T90 and T10 recovery time was 97 s at this gas concentration.

  19. Low Cost Chemical Feedstocks Using an Improved and Energy Efficient Natural Gas Liquid (NGL) Removal Process, Final Technical Report

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, Howard, S.; Lu, Yingzhong

    2012-08-10

    The overall objective of this project is to develop a new low-cost and energy efficient Natural Gas Liquid (NGL) recovery process - through a combination of theoretical, bench-scale and pilot-scale testing - so that it could be offered to the natural gas industry for commercialization. The new process, known as the IROA process, is based on U.S. patent No. 6,553,784, which if commercialized, has the potential of achieving substantial energy savings compared to currently used cryogenic technology. When successfully developed, this technology will benefit the petrochemical industry, which uses NGL as feedstocks, and will also benefit other chemical industries that utilize gas-liquid separation and distillation under similar operating conditions. Specific goals and objectives of the overall program include: (i) collecting relevant physical property and Vapor Liquid Equilibrium (VLE) data for the design and evaluation of the new technology, (ii) solving critical R&D issues including the identification of suitable dehydration and NGL absorbing solvents, inhibiting corrosion, and specifying proper packing structure and materials, (iii) designing, construction and operation of bench and pilot-scale units to verify design performance, (iv) computer simulation of the process using commercial software simulation platforms such as Aspen-Plus and HYSYS, and (v) preparation of a commercialization plan and identification of industrial partners that are interested in utilizing the new technology. NGL is a collective term for C2+ hydrocarbons present in the natural gas. Historically, the commercial value of the separated NGL components has been greater than the thermal value of these liquids in the gas. The revenue derived from extracting NGLs is crucial to ensuring the overall profitability of the domestic natural gas production industry and therefore of ensuring a secure and reliable supply in the 48 contiguous states. However, rising natural gas prices have dramatically reduced

  20. Effect of laser fluence and ambient gas pressure on surface morphology and chemical composition of hydroxyapatite thin films deposited using pulsed laser deposition

    Science.gov (United States)

    Nishikawa, Hiroaki; Hasegawa, Tsukasa; Miyake, Akiko; Tashiro, Yuichiro; Komasa, Satoshi; Hashimoto, Yoshiya

    2018-01-01

    The dependence of the surface morphology and chemical composition of hydroxyapatite (HA) thin films on the laser fluence and ambient gas pressure during their formation by pulsed laser deposition was studied as the first step to investigate the effect of physical and chemical interactions between the ablated chemical species and ambient gas molecules on HA film formation. It was found that a higher fluence could decrease the number of large protrusions on the surface of HA thin films. However, too high a fluence caused a phosphorus deficiency from the stoichiometric value, particularly in the case of lower ambient gas pressure. It was also found that for lower fluences, the atomic species among the ablated chemical species were easily scattered by collision processes with ambient gas molecules. This was caused by the lower velocity of the ablated chemical species and higher ambient gas pressure, which induced a shorter mean free path. In addition, these collision processes played an important role in the adsorption, migration, and re-evaporation of the ablated chemical species on the substrate via chemical reactions.

  1. Composition dependent effects in gas chromatography. [used in chemical analysis system onboard unmanned roving vehicle on Mars

    Science.gov (United States)

    Lavoie, R. C.

    1974-01-01

    Fundamantal concepts are developed which are required to optimize a gas chromatograph-mass spectrometer chemical analysis system suitable for use on an unmanned roving vehicle for Mars exploration. Prior efforts have developed simulation models for the chromatograph which were compared with data obtained from a test facility. Representation of binary systems by superposition was shown to be a first-order approximation and in certain cases large discrepencies were noted. This subtask has as its objective generation of additional binary data and analysis of the observed nonlinear effects.

  2. Detection of methamphetamine and amphetamine in a single human hair by gas chromatography/chemical ionization mass spectrometry.

    Science.gov (United States)

    Suzuki, O; Hattori, H; Asano, M

    1984-04-01

    A detailed procedure of an extremely sensitive method for quantitation of methamphetamine and amphetamine in human hair by gas chromatography (GC)/chemical ionization (CI) mass spectrometry (MS) is presented. N-methylbenzylamine was used as an internal standard. The samples, after extraction with an organic solvent, were derivatized with trifluoroacetic anhydride before the GC/MS analysis. Quantitation was made with quasi-molecular ions of the derivatives by selected ion monitoring in the CI mode. The detection limit was about 10 pg in an injected volume. The high sensitivity enabled us to measure both stimulants in a single human hair in actual cases.

  3. The molecular structure of niobium pentachloride by quantum chemical calculations and gas electron diffraction

    Science.gov (United States)

    Gove, S. K.; Gropen, O.; Fægri, K.; Haaland, A.; Martinsen, K.-G.; Strand, T. G.; Volden, H. V.; Swang, O.

    1999-08-01

    The molecular structure of NbCl 5 was determined experimentally by gas electron diffraction and computationally by structure optimisation of D 3h models. The bond distances obtained by ab initio calculations with very large basis sets, relativistic effects included through the one-electron Douglas-Kroll method and all electrons correlated at the MP2 level and by gas electron diffraction are: (calc/exp) Nb-Cl ax=230.7/230.6(5) pm and Nb-Cl eq=227.0/227.5(4) pm.

  4. Chemical Alterations of Pb using Flue Gas Desulfurization Gypsum (FGDG) in two contaminated soils

    Data.gov (United States)

    U.S. Environmental Protection Agency — The data include chemical composition of Pb contaminated soils by adding FGDG as an amendment. The data shows the changes in Pb speciation to sulfur based minerals....

  5. GCKP84-general chemical kinetics code for gas-phase flow and batch processes including heat transfer effects

    Science.gov (United States)

    Bittker, D. A.; Scullin, V. J.

    1984-01-01

    A general chemical kinetics code is described for complex, homogeneous ideal gas reactions in any chemical system. The main features of the GCKP84 code are flexibility, convenience, and speed of computation for many different reaction conditions. The code, which replaces the GCKP code published previously, solves numerically the differential equations for complex reaction in a batch system or one dimensional inviscid flow. It also solves numerically the nonlinear algebraic equations describing the well stirred reactor. A new state of the art numerical integration method is used for greatly increased speed in handling systems of stiff differential equations. The theory and the computer program, including details of input preparation and a guide to using the code are given.

  6. Chemical characterization of bio-oils using comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry.

    Science.gov (United States)

    Tessarolo, Nathalia S; dos Santos, Luciana R M; Silva, Raphael S F; Azevedo, Débora A

    2013-03-01

    The liquid product obtained via the biomass flash pyrolysis is commonly called bio-oil or pyrolysis oil. Bio-oils can be used as sources for chemicals or as fuels, primarily in mixtures or emulsions with fossil fuels. A detailed chemical characterization of bio-oil is necessary to determine its potential uses. Such characterization demands a powerful analytical technique such as comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry (GC×GC-TOFMS). Limited chemical information can be obtained from conventional gas chromatography coupled mass spectrometry (GC-MS) because of the large number of compounds and coelutions. Thus, GC×GC-TOFMS was used for the individual identification of bio-oil components from two samples prepared via the flash pyrolysis of empty palm fruit bunch and pine wood chips. To the best of our knowledge, few papers have reported comprehensive two-dimensional gas chromatography (GC×GC) for bio-oil analysis. Many classes of compounds such as phenols, benzenediols, cyclopentenones, furanones, indanones and alkylpyridines were identified. Several coelutions present in the GC-MS were resolved using GC×GC-TOFMS. Many peaks were detected for the samples by GC-MS (~166 and 129), but 631 and 857 were detected by GC×GC-TOFMS, respectively. The GC×GC-TOFMS analyses indicated that the major classes of components (analytes>0.5% relative area) in the two bio-oil samples are ketones, cyclopentenones, furanones, furans, phenols, benzenediols, methoxy- and dimethoxy-phenols and sugars. In addition, esters, aldehydes and pyridines were found for sample obtained from empty palm fruit bunch, while alcohols and cyclopentanediones were found in sample prepared from pine wood chips indicating different composition profiles due to the biomass sources. The elucidation of the composition of empty fruit bunch and pine wood chips bio-oils indicates that these oils are suitable for the production of value-added chemicals. The

  7. Semi-continuous high speed gas analysis of generated vapors of chemical warfare agents

    NARCIS (Netherlands)

    Trap, H.C.; Langenberg, J.P.

    1999-01-01

    A method is presented for the continuous analysis of generated vapors of the nerve agents soman and satin and the blistering agent sulfur mustard. By using a gas sampling valve and a very short (15 cm) column connected to an on-column injector with a 'standard length' column, the system can either

  8. A Gas-Solid Singlet Delta Oxygen Generator for the Chemical Iodine Laser

    National Research Council Canada - National Science Library

    Alfano, Angelo

    2002-01-01

    ... at 1.27 microns by passing chlorine gas through aqueous, basic hydrogen peroxide (H2O2/OH). Unfortunately, the process of nonradiative relaxation used in COIL results in the creation of undesired heat and not the desired light emission...

  9. Quality of Life of Chemically-Disabled War Veterans Involved in Pulmonary Complications of Sulfur Mustard Gas in Sardasht

    Directory of Open Access Journals (Sweden)

    M Abbasi

    2012-05-01

    Full Text Available

    Background and Objectives: Chemical gasses, particularly Sulfur Mustard, have a negative impact on physical, psychological, social and spiritual aspects of quality of life of those suffering from this gas. It is so serious that even 20 years after being exposed to Sulfur Mustard, we can witness people who are still suffering from various damages of organs particularly the pulmonary system. This research aimed at determining the quality of life of chemically-disabled war veterans with pulmonary complications of Sulfur Mustard from physical, social, psychological, and spiritual aspects.

     

    Methods: This was a descriptive study in which 260 chemically-disabled war veterans living in Sardasht, Iran then, were randomly selected for the study. It should be mentioned that all these people are now treated as chemically-disabled war veterans suffering from the pulmonary complications of Sulfur Mustard Gas and were living in Sardasht at the time of bombardment of that city. Having been acquainted with the procedure, they were then asked to fill in the questionnaires.

     

    Results: The results showed that quality of life in 71.5% of the samples was moderate, only in 5.8%, it was considered as good. 11.9% of them in physical domain, 8.1% in psychological domain, 1.9% in social domain, and 22.8% in spiritual domain had a good quality of life.

     

    Conclusion: Based on the findings, the quality of life in the social, physical and psychological domains was 1.9%, 11.9% and 8.1% poor, therefore; responsible organizations can help these people in various ways by, for example, providing them with low price drugs, which are usually costly in the market, public transportation designed especially for chemically-disabled war veterans, improving insurance services and developing public services in Sardasht. The researchers, finally

  10. International Symposium on Gas Flow and Chemical Lasers, 8th, Madrid, Spain, Sept. 10-14, 1990, Proceedings

    Science.gov (United States)

    Orza, Jose M.; Domingo, C.

    1991-03-01

    Papers are presented on current research developments and applications related to high-powered lasers. Recent advances in excimer laser technology, electron-beam-pumped excimer lasers, discharge technology for excimer lasers, and pulsed XeF lasers are examined. Consideration is given to short-wavelength lasers, chemical oxygen iodine lasers, and vibrational chemical lasers. Papers are presented on CO2, CO, N2O lasers, coupled CO2 lasers, laser induced perturbation in pulsed CO2 lasers, construction of sealed-off CO2 lasers, and computer modeling of discharge-excited CO gas flow. Topics discussed include gas-dynamic lasers, discharge and flow effects, matrix and laser optics and laser beam parameters. Laser-matter interactions, laser-induced surface plasma, plasma motion velocity along laser beams and thermocapillary effects are also discussed. Applications of laser technology are examined and high-speed laser welding, welding results, laser ablation, laser steel processing, and numerical modeling of laser-matter interaction in high-intensity laser applications are considered. (For individual items see A93-26381 to A93-26422)

  11. Analysis of Combined Cycle Power Plants with Chemical Looping Reforming of Natural Gas and Pre-Combustion CO2 Capture

    Directory of Open Access Journals (Sweden)

    Shareq Mohd Nazir

    2018-01-01

    Full Text Available In this paper, a gas-fired combined cycle power plant subjected to a pre-combustion CO2 capture method has been analysed under different design conditions and different heat integration options. The power plant configuration includes the chemical looping reforming (CLR of natural gas (NG, water gas shift (WGS process, CO2 capture and compression, and a hydrogen fuelled combined cycle to produce power. The process is denoted as a CLR-CC process. One of the main parameters that affects the performance of the process is the pressure for the CLR. The process is analysed at different design pressures for the CLR, i.e., 5, 10, 15, 18, 25 and 30 bar. It is observed that the net electrical efficiency increases with an increase in the design pressure in the CLR. Secondly, the type of steam generated from the cooling of process streams also effects the net electrical efficiency of the process. Out of the five different cases including the base case presented in this study, it is observed that the net electrical efficiency of CLR-CCs can be improved to 46.5% (lower heating value of NG basis by producing high-pressure steam through heat recovery from the pre-combustion process streams and sending it to the Heat Recovery Steam Generator in the power plant.

  12. Confirmation of clorsulon residues in cattle kidney by capillary gas chromatography-negative-ion chemical-ionization mass spectrometry.

    Science.gov (United States)

    Wehner, T A; Wood, J S; Walker, R; Downing, G V; Vandenheuvel, W J

    1987-07-24

    A confirmatory assay for residues of the anthelmintic agent clorsulon [4-amino-6-(trichloroethenyl)-1,3-benzenedisulfonamide] in cattle kidney tissue has been developed. The assay involves isolation of a drug-containing fraction by solvent extraction, methylation of the analyte, and fused-silica capillary column gas chromatography-negative-ion chemical-ionization mass spectrometry of the pentamethyl derivative of clorsulon. The intensities of four negative ions [m/z 406 and 408 (trichloro species) and m/z 413 and 415 (dichloro species)] are monitored. Confirmation of the presence of drug in an analyte requires that all four ions appear at the appropriate retention time with their intensity ratios within 10-15% of those arising from analysis of the reference standard, methylated clorsulon; the lower limit of detection is 3 ppb. Quantification of the drug is based on the intensity of the m/z 406 ion. Identification and quantification of residues by the gas chromatographic-mass spectrometric assay gave results in good agreement with those obtained with an electron-capture gas chromatographic assay.

  13. CHEMICAL SENSORS BASED ON NANOSTRUCTURAL MATERIALS. PART 1. GAS SENSORS. (Review)

    OpenAIRE

    V. V. Khatko

    2014-01-01

    Analysis of modern methods of preparation of gas sensors than utilize nanostructural materials in the basic construction has been made. Nanostructural materials utilization in the sensor increases specific surface area of its sensitive layer. Two groups of the methods that promote to solve this task were selected. The first one is related to the utilization of nanoporous anodic alumina substrate and/or membrane as sensor template. The second one includes the preparation of the sensitive layer...

  14. A study on reduced chemical mechanisms of ammonia/methane combustion under gas turbine conditions

    OpenAIRE

    Xiao, Hua; Howard, Michael; Valera Medina, Agustin; Dooley, Stephen; Bowen, Philip John

    2016-01-01

    As an alternative fuel and hydrogen carrier, ammonia is believed to have good potential for future power generation. To explore the feasibility of co-firing ammonia with methane, studies involving robust numerical analyses with detailed chemistry are required to progress towards industrial implementation. Therefore, the objective of this study is to determine a reduced mechanism for simulation studies of ammonia/methane combustion in practical gas turbine combustor conditions. Firstly, five d...

  15. PENGARUH KATALIS Co DAN Fe TERHADAP KARAKTERISTIK CARBON NANOTUBES DARI GAS ASETILENA DENGAN MENGGUNAKAN PROSES CATALYTIC CHEMICAL VAPOUR DEPOSITION (CCVD

    Directory of Open Access Journals (Sweden)

    Tutuk Djoko Kusworo

    2013-11-01

    Full Text Available EFFECT OF Co AND Fe ON CARBON NANOTUBES CHARACTERISTICS FROM ACETYLENE USING CATALYTIC CHEMICAL VAPOUR DEPOSITION (CCVD PROCESS. Carbon Nanotubes (CNTs is one of the most well known nano-technology applications which the most of attracting the attention of researchers, because it has more advantages than other materials. The application of the CNT has extended into various aspects, such as electronics, materials, biology and chemistry. This research uses a system of Catalytic Chemical Vapour Deposition (CCVD, which aims to determine the influence of Co and Fe as a catalyst and zeolite 4A as a support catalyst with acetylene gas (C2H2 as carbon source in the synthesis of Carbon Nanotubes (CNTs. In this experiment, used the ratio of acetylene gas and flow rate of N2 gas is 1:1 by weight of the catalyst Co/Zeolite and Fe/Zeolite amounted to 0.5 grams at the operating temperature of 700oC for 20 minutes. N2 gas serves to minimize the occurrence of oxidation reaction (explosion when operating. From analysis result by Scanning Electron Microscopy (SEM shows the CNTs formed a type of MWNT with different of diameter size and product weight, depending on the size of the active component concentration on the catalyst. The larger of active components produced CNTs with larger diameter, whereas product weight syntheses result smaller. Use of the catalyst Fe/Zeolite produce CNTs with a diameter larger than the catalyst Co/Zeolite.  Carbon Nanotubes (CNTs merupakan salah satu aplikasi nanoteknologi yang paling terkenal dan banyak menarik perhatian para peneliti, karena memiliki beberapa kelebihan daripada material lainnya. Aplikasi dari CNT telah merambah ke berbagai aspek, seperti bidang elektronika, material, biologi dan kimia. Penelitian ini menggunakan sistem Catalytic Chemical Vapour Deposition (CCVD yang bertujuan untuk mengetahui pengaruh variasi Cobalt (Co dan Ferrum (Fe sebagai katalis dan zeolit tipe 4A sebagai penyangga katalis dengan gas

  16. Natural Gas Residual Fluids: Sources, Endpoints, and Organic Chemical Composition after Centralized Waste Treatment in Pennsylvania.

    Science.gov (United States)

    Getzinger, Gordon J; O'Connor, Megan P; Hoelzer, Kathrin; Drollette, Brian D; Karatum, Osman; Deshusses, Marc A; Ferguson, P Lee; Elsner, Martin; Plata, Desiree L

    2015-07-21

    Volumes of natural gas extraction-derived wastewaters have increased sharply over the past decade, but the ultimate fate of those waste streams is poorly characterized. Here, we sought to (a) quantify natural gas residual fluid sources and endpoints to bound the scope of potential waste stream impacts and (b) describe the organic pollutants discharged to surface waters following treatment, a route of likely ecological exposure. Our findings indicate that centralized waste treatment facilities (CWTF) received 9.5% (8.5 × 10(8) L) of natural gas residual fluids in 2013, with some facilities discharging all effluent to surface waters. In dry months, discharged water volumes were on the order of the receiving body flows for some plants, indicating that surface waters can become waste-dominated in summer. As disclosed organic compounds used in high volume hydraulic fracturing (HVHF) vary greatly in physicochemical properties, we deployed a suite of analytical techniques to characterize CWTF effluents, covering 90.5% of disclosed compounds. Results revealed that, of nearly 1000 disclosed organic compounds used in HVHF, only petroleum distillates and alcohol polyethoxylates were present. Few analytes targeted by regulatory agencies (e.g., benzene or toluene) were observed, highlighting the need for expanded and improved monitoring efforts at CWTFs.

  17. Radiation Fog in the US Mid-Atlantic Region: Chemical Composition, Trends, and Gas-Liquid Partitioning

    Science.gov (United States)

    Straub, D.

    2016-12-01

    The chemical composition of radiation fog has been studied at a rural site in central Pennsylvania over an eight year period extending through 2015. Bulk fog samples were collected with an automated Caltech Heated Rod Cloud Collector (CHRCC) and analyzed for pH, inorganic ions, organic acids, total organic carbon (TOC), and total nitrogen (TN). Over the duration of the project, 146 samples were collected and used to document chemical composition, evaluate changes over time, and to investigate partitioning between the gas and aqueous phases. Ammonium, sulfate, calcium, and nitrate were the most abundant inorganic ions while acetate and formate were the dominant organic acids. Organic acids contributed about 15% to TOC. Inorganic nitrogen accounted for the majority of TN, with only 18% of TN attributed to organic nitrogen. Overall, organic matter contributed 52% to the total mass loading of the fog samples, a value that is higher than reported for other radiation fog studies. Statistically significant decreasing trends were observed for sulfate, ammonium, chloride, nitrate, and pH. These trends coincide with reductions in emissions from fossil fuel combustion that have been documented over this time period. Seasonal trends were also detected for nitrate, ammonium, potassium, phosphate, acetate and formate which appear to be related to the agricultural growing season. Based on simultaneous measurements of gas phase ammonia and ammonium in the fog samples, significant deviations from equilibrium were found. In low pH samples, ammonium concentrations were much lower than equilibrium predicts, while the opposite occurred in high pH samples. Modeling suggested that mass transfer limitations contributed to the departure from equilibrium. Similarly, predictions of bicarbonate concentrations based on equilibrium with gas phase carbon dioxide appears to underestimate the actual amount of bicarbonate present in samples collected during this study.

  18. Distribution and chemical fate of chlorine dioxide gas during sanitation of tomatoes and cantaloupe

    Science.gov (United States)

    A series of studies was conducted to establish the 1) distribution and chemical fate of 36-ClO2 on tomatoes and cantaloupe; and 2) the magnitude of residues in kilogram quantities of tomatoes and cantaloupe sanitized with a slow-release chlorine dioxide formulation. Tomatoes and cantaloupe were resp...

  19. LSENS, a general chemical kinetics and sensitivity analysis code for homogeneous gas-phase reactions. 2: Code description and usage

    Science.gov (United States)

    Radhakrishnan, Krishnan; Bittker, David A.

    1994-01-01

    LSENS, the Lewis General Chemical Kinetics Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 2 of a series of three reference publications that describe LSENS, provide a detailed guide to its usage, and present many example problems. Part 2 describes the code, how to modify it, and its usage, including preparation of the problem data file required to execute LSENS. Code usage is illustrated by several example problems, which further explain preparation of the problem data file and show how to obtain desired accuracy in the computed results. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions. Part 1 (NASA RP-1328) derives the governing equations describes the numerical solution procedures for the types of problems that can be solved by lSENS. Part 3 (NASA RP-1330) explains the kinetics and kinetics-plus-sensitivity-analysis problems supplied with LSENS and presents sample results.

  20. CHEMICALS

    CERN Multimedia

    Medical Service

    2002-01-01

    It is reminded that all persons who use chemicals must inform CERN's Chemistry Service (TIS-GS-GC) and the CERN Medical Service (TIS-ME). Information concerning their toxicity or other hazards as well as the necessary individual and collective protection measures will be provided by these two services. Users must be in possession of a material safety data sheet (MSDS) for each chemical used. These can be obtained by one of several means : the manufacturer of the chemical (legally obliged to supply an MSDS for each chemical delivered) ; CERN's Chemistry Service of the General Safety Group of TIS ; for chemicals and gases available in the CERN Stores the MSDS has been made available via EDH either in pdf format or else via a link to the supplier's web site. Training courses in chemical safety are available for registration via HR-TD. CERN Medical Service : TIS-ME :73186 or service.medical@cern.ch Chemistry Service : TIS-GS-GC : 78546

  1. Both gas chromatography and an electronic nose reflect chemical polymorphism of juniper shrubs browsed or avoided by sheep.

    Science.gov (United States)

    Markó, Gábor; Novák, Ildikó; Bernáth, Jeno; Altbäcker, Vilmos

    2011-07-01

    Chemical polymorphism may contribute to variation in browsing damage by mammalian herbivores. Earlier, we demonstrated that essential oil concentration in juniper, Juniperus communis, was negatively associated with herbivore browsing. The aim of the present study was to characterize the volatile chemical composition of browsed and non-browsed J. communis. By using either gas chromatography with flame ionization detection (GC-FID) or an electronic nose device, we could separate sheep-browsed or non-browsed juniper shrubs by their essential oil pattern and complex odor matrix. The main components of the essential oil from J. communis were monoterpenes. We distinguished three chemotypes, dominated either by α-pinene, sabinene, or δ-3-carene. Shrubs belonging to the α-pinene- or sabinene-dominated groups were browsed, whereas all individuals with the δ-3-carene chemotype were unused by the local herbivores. The electronic nose also separated the browsed and non-browsed shrubs indicating that their odor matrix could guide sheep browsing. Responses of sheep could integrate the post-ingestive effects of plant secondary metabolites with sensory experience that stems from odor-phytotoxin interactions. Chemotype diversity could increase the survival rate in the present population of J. communis as certain shrubs could benefit from relatively better chemical protection against the herbivores.

  2. An interactive computer code for calculation of gas-phase chemical equilibrium (EQLBRM)

    Science.gov (United States)

    Pratt, B. S.; Pratt, D. T.

    1984-01-01

    A user friendly, menu driven, interactive computer program known as EQLBRM which calculates the adiabatic equilibrium temperature and product composition resulting from the combustion of hydrocarbon fuels with air, at specified constant pressure and enthalpy is discussed. The program is developed primarily as an instructional tool to be run on small computers to allow the user to economically and efficiency explore the effects of varying fuel type, air/fuel ratio, inlet air and/or fuel temperature, and operating pressure on the performance of continuous combustion devices such as gas turbine combustors, Stirling engine burners, and power generation furnaces.

  3. CHEMICAL SENSORS BASED ON NANOSTRUCTURAL MATERIALS. PART 1. GAS SENSORS. (Review

    Directory of Open Access Journals (Sweden)

    V. V. Khatko

    2014-01-01

    Full Text Available Analysis of modern methods of preparation of gas sensors than utilize nanostructural materials in the basic construction has been made. Nanostructural materials utilization in the sensor increases specific surface area of its sensitive layer. Two groups of the methods that promote to solve this task were selected. The first one is related to the utilization of nanoporous anodic alumina substrate and/or membrane as sensor template. The second one includes the preparation of the sensitive layers based on the 1D–3D nanostructures. Enhancement of the sensor output characteristics is determined by the collection of advanced physicalchemical properties of nanomaterials and nanostructures utilized in the sensor construction.

  4. Modelling of associating mixtures for applications in the oil & gas and chemical industries

    DEFF Research Database (Denmark)

    Kontogeorgis, Georgios; Folas, Georgios; Muro Sunè, Nuria

    2007-01-01

    -polar (non self-associating) compounds it reduces to SRK. The model was first published in 1996 and since then it has been developed and applied with success to binary systems containing water-alkanes and alcohol/glycol/acid-alkanes (both VLE and LLE) as well as ternary and multicomponent (V)LLE for water......-alcohol (glycol)-alkanes and certain acid and amine-containing mixtures. Recent results include glycol-aromatic hydrocarbons including multiphase, multicomponent equilibria and gas hydrate calculations in combination with the van der Waals-Platteeuw model. This article will outline some new applications...

  5. Perspective: Chemical reactions in ionic liquids monitored through the gas (vacuum)/liquid interface

    OpenAIRE

    Maier, Florian; Niedermaier, Inga; Steinrück, Hans-Peter

    2017-01-01

    This perspective analyzes the potential of X-ray photoelectron spectroscopy under ultrahigh vacuum (UHV) conditions to follow chemical reactions in ionic liquids in situ. Traditionally, only reactions occurring on solid surfaces were investigated by X-ray photoelectron spectroscopy (XPS) in situ. This was due to the high vapor pressures of common liquids or solvents, which are not compatible with the required UHV conditions. It was only recently realized that the situation is very different w...

  6. Application of process simulators in chemical engineering process design -natural gas separation plant case study

    Directory of Open Access Journals (Sweden)

    Stevanović Dimitrije Ž.

    2014-01-01

    Full Text Available Software for chemical processes modeling and simulation, in the past few decades, play an important role in the development of chemical-process industry with their growing capabilities and wide range of application. Usage of process simulators in Serbia for the process design is very limited. This paper gives a brief overview of the numerous process simulators that are used in the chemical-process industry today. The conceptual design is responsible for most of the investment costs in chemical process industry. Importance of precise design on preliminary level is obvious. Wrong decisions made at the conceptual level could be carried out throughout the chain in process design to the detailed design procedures and procurement of equipment. Although preliminary design phase comprises only about 2% of the total cost of the project, it contributes significantly to the reduction of cost of the project by more than 30%. Therefore process simulators play important role in elimination of unnecessary errors in basic process design. Here is also shown a case study of parallel process simulated in different process simulators which tests the results, the reliability and usefulness of these programs in solving specific engineering tasks. Comparison of given simulation results confirm that the modern process simulators are at high level of confidence, no matter they are based on different models, equations, methods, operations, interfaces or data bases. Usage of software speeds up the arrival of optimized solution during the design and the operational procedures. Therefore software have significant impact on reducing time of pre-project phase such as research, conceptual design, and proving project abilities. It’s development lead to faster commercialization of industrial ideas. [Projekat Ministartsva nauke Republike Srbije, br. TR 34009

  7. Carbon molecular sieves from carbon cloth: Influence of the chemical impregnant on gas separation properties

    Science.gov (United States)

    Rodríguez-Blanco, G.; Giraldo, L.; Moreno-Piraján, J. C.

    2010-06-01

    Carbon materials with molecular sieve properties (CMS) were prepared by pyrolysis of cotton fabrics by chemical activation procedures. To evaluate the changes in the chemical and textural properties, the impregnants AlCl 3, ZnCl 2 and H 3PO 4 were used at 1123 K. The materials were characterized using adsorption of nitrogen and carbon dioxide, TPD, and immersion calorimetry in C 6H 6. Adsorption kinetics of O 2, N 2, CO 2, CH 4, C 3H 8 and C 3H 6 were measured in all the prepared materials to determine their behaviour as molecular sieves. The results confirm that the chemical used as impregnant has a significant effect on the resulting CMS separation properties. All materials exhibit microporosity and low oxygen surface group contents; however, the sample impregnated with zinc chloride, with an immersion enthalpy value of 66.4 J g -1 in benzene, exhibits the best performance in the separation of CH 4-CO 2 and C 3H 8-C 3H 6 at 273 K.

  8. Perspective: Chemical reactions in ionic liquids monitored through the gas (vacuum)/liquid interface

    Science.gov (United States)

    Maier, F.; Niedermaier, I.; Steinrück, H.-P.

    2017-05-01

    This perspective analyzes the potential of X-ray photoelectron spectroscopy under ultrahigh vacuum (UHV) conditions to follow chemical reactions in ionic liquids in situ. Traditionally, only reactions occurring on solid surfaces were investigated by X-ray photoelectron spectroscopy (XPS) in situ. This was due to the high vapor pressures of common liquids or solvents, which are not compatible with the required UHV conditions. It was only recently realized that the situation is very different when studying reactions in Ionic Liquids (ILs), which have an inherently low vapor pressure, and first studies have been performed within the last years. Compared to classical spectroscopy techniques used to monitor chemical reactions, the advantage of XPS is that through the analysis of their core levels all relevant elements can be quantified and their chemical state can be analyzed under well-defined (ultraclean) conditions. In this perspective, we cover six very different reactions which occur in the IL, with the IL, or at an IL/support interface, demonstrating the outstanding potential of in situ XPS to gain insights into liquid phase reactions in the near-surface region.

  9. A hybrid plasma-chemical system for high-NOx flue gas treatment

    Science.gov (United States)

    Chmielewski, Andrzej G.; Zwolińska, Ewa; Licki, Janusz; Sun, Yongxia; Zimek, Zbigniew; Bułka, Sylwester

    2018-03-01

    The reduction of high concentrations of NOx and SO2 from simulated flue gas has been studied. Our aim was to optimise energy consumption for NOx and SO2 removal from off-gases from a diesel generator using heavy fuel oil. A hybrid process: electron beam (EB) plasma and wet scrubber has been applied. A much higher efficiency of NOx and SO2 removal was achieved in comparison to dry, ammonia free, electron beam flue gas treatment (EBFGT). A recorded removal from a concentration of 1500 ppm NOx reached 49% at a low dose of 6.5 kGy, while only 2% NOx was removed at the same dose if EB only was applied. For SO2, removal efficiency at a dose of 6.5 kGy increased from 15% (EB only) to 84% when sea water was used as a wet scrubber agent for 700 ppm SO2. The results of this study indicate that EB combined with wet scrubber is a very promising technology to be applied for removal of high concentrations of NOx and SO2 emitted from diesel engines operated e.g. on cargo ships, which are the main sources of SO2 and NOx pollution along their navigation routes.

  10. Consistent dust and gas models for protoplanetary disks. II. Chemical networks and rates

    Science.gov (United States)

    Kamp, I.; Thi, W.-F.; Woitke, P.; Rab, C.; Bouma, S.; Ménard, F.

    2017-11-01

    Aims: We aim to define a small and large chemical network which can be used for the quantitative simultaneous analysis of molecular emission from the near-IR to the submm. We also aim to revise reactions of excited molecular hydrogen, which are not included in UMIST, to provide a homogeneous database for future applications. Methods: We have used the thermo-chemical disk modeling code ProDiMo and a standard T Tauri disk model to evaluate the impact of various chemical networks, reaction rate databases and sets of adsorption energies on a large sample of chemical species and emerging line fluxes from the near-IR to the submm wavelength range. Results: We find large differences in the masses and radial distribution of ice reservoirs when considering freeze-out on bare or polar ice coated grains. Most strongly the ammonia ice mass and the location of the snow line (water) change. As a consequence molecules associated to the ice lines such as N2H+ change their emitting region; none of the line fluxes in the sample considered here changes by more than 25% except CO isotopologues, CN and N2H+ lines. The three-body reaction N+H2+M plays a key role in the formation of water in the outer disk. Besides that, differences between the UMIST 2006 and 2012 database change line fluxes in the sample considered here by less than a factor of two (a subset of low excitation CO and fine structure lines stays even within 25%); exceptions are OH, CN, HCN, HCO+ and N2H+ lines. However, different networks such as OSU and KIDA 2011 lead to pronounced differences in the chemistry inside 100 au and thus affect emission lines from high excitation CO, OH and CN lines. H2 is easily excited at the disk surface and state-to-state reactions enhance the abundance of CH+ and to a lesser extent HCO+. For sub-mm lines of HCN, N2H+ and HCO+, a more complex larger network is recommended. Conclusions: More work is required to consolidate data on key reactions leading to the formation of water, molecular

  11. Comparison of Gas Chromatography-Mass Spectrometry and Gas Chromatography-Tandem Mass Spectrometry with Electron Ionization and Negative-Ion Chemical Ionization for Analyses of Pesticides at Trace Levels in Atmospheric Samples

    OpenAIRE

    Renata Raina; Patricia Hall

    2008-01-01

    A comparison of detection limits of gas chromatography-mass spectrometry (GC-MS) in selected ion monitoring (SIM) with gas chromatography-tandem mass spectrometry (GC-MS/MS) in selected reaction monitoring (SRM) mode with both electron ionization (EI) and negative-ion chemical ionization (NCI) are presented for over 50 pesticides ranging from organochlorines (OCs), organophosphorus pesticides (OPs) and pre-emergent herbicides used in the Canadian prairies (triallate, trifluralin, ethalflurali...

  12. Chemical Vapor Identification by Plasma Treated Thick Film Tin Oxide Gas Sensor Array and Pattern Recognition

    Directory of Open Access Journals (Sweden)

    J. K. Srivastava

    2011-02-01

    Full Text Available Present study deals the class recognition potential of a four element plasma treated thick film tin oxide gas sensor array exposed with volatile organic compounds (VOCs. Methanol, Ethanol and Acetone are selected as target VOCs and exposed on sensor array at different concentration in range from 100-1000 ppm. Sensor array consist of four tin oxide sensors doped with 1-4 % PbO concentrations were fabricated by thick film technology and then treated with oxygen plasma for 5-10 minute durations. Sensor signal is analyzed by principal component analysis (PCA for visual classification of VOCs. Further output of PCA is used as input for classification of VOCs by four pattern classification techniques as: linear discriminant analysis (LDA, k-nearest neighbor (KNN, back propagation neural network (BPNN and support vector machine (SVM. All the four classifier results 100 % correct classification rate of VOCs by response analysis of sensor array treated with plasma for 5 minute.

  13. Reduction of carbon dioxide gas formation at the anode of a direct methanol fuel cell using chemically enhanced solubility

    Science.gov (United States)

    Lundin, Michael D.; McCready, Mark J.

    The production of CO 2 gas at the DMFC anode leads to dramatic increases in pumping power requirements and reduced power output because of mass transfer limitations as bubble trains form in the channels of larger stacks. Experimental observations taken in a 5 cm 2 DMFC test cell operated at 60 °C, 1 atm, and with a methanol/water fuel flow rates of 5-10 cm 3 min -1 indicate that the rate of bubble formation can be reduced by increasing the fuel flow because more liquid is available for the CO 2 to dissolve in. Further observations indicate that KOH and LiOH added to the fuel eliminates CO 2 gas formation in situ at low concentrations because of the greatly increased solubility that results. A mathematical model for the volumetric rate of CO 2 gas production that includes effects of temperature and solubility is developed and extended to include the effects of hydroxide ions in solution. The model is used to predict the onset location of gas formation in the flow field as well as the void fraction at any point in the flow field. Predictions from the model agree very well with our experiments. Model predictions explain differences in the initial location of bubble formation for fuel solutions pre-saturated with CO 2 as opposed to CO 2-free solutions. Experiments with KOH and LiOH added to fuel solutions confirm the validity of the model extension that includes solubility that is enhanced by chemical reaction. Experiments with LiOH, KOH, and ammonium hydroxide show that the long-term durability of standard Pt-Ru/Nafion ®/Pt membrane electrode assemblies is compromised because of the presence of lithium, potassium, and ammonium cations that interact with the Nafion ® membrane and result in increasing the ohmic limitations of the polymer electrolyte membrane. Experiments with Ca(OH) 2, while reducing gas formation, precipitate the product CaCO 3 out of solution too rapidly for downstream filtering, blocking channels in the flow field.

  14. Robust C–C bonded porous networks with chemically designed functionalities for improved CO2 capture from flue gas

    Directory of Open Access Journals (Sweden)

    Damien Thirion

    2016-10-01

    Full Text Available Effective carbon dioxide (CO2 capture requires solid, porous sorbents with chemically and thermally stable frameworks. Herein, we report two new carbon–carbon bonded porous networks that were synthesized through metal-free Knoevenagel nitrile–aldol condensation, namely the covalent organic polymer, COP-156 and 157. COP-156, due to high specific surface area (650 m2/g and easily interchangeable nitrile groups, was modified post-synthetically into free amine- or amidoxime-containing networks. The modified COP-156-amine showed fast and increased CO2 uptake under simulated moist flue gas conditions compared to the starting network and usual industrial CO2 solvents, reaching up to 7.8 wt % uptake at 40 °C.

  15. A New Method for Determining the Nanocrystallite Size Distribution in Systems Where Chemical Reaction between Solid and a Gas Phase Occurs

    Directory of Open Access Journals (Sweden)

    Rafał Pelka

    2013-01-01

    Full Text Available The proposed method, based on measuring the chemical reaction rate in solid phase, is, therefore, limited to such systems where reaction between nanocrystalline materials and a gas phase occurs. Additionally, assumptions of the model of reaction between nanocrystalline materials and a gas phase, where the surface chemical reaction rate is the rate limiting step, are used. As an example of such a reaction, nitriding (with ammonia of the prereduced industrial iron catalysts for ammonia synthesis of different average crystallite sizes was used. To measure the reaction rate, the differential reactor equipped with systems for thermogravimetric measurements and analysis of the chemical composition of the gas phase was used. The crystallites mass and size distributions for the analyzed samples of catalyst were determined.

  16. Investigation of the Pulsed Annular Gas Jet for Chemical Reactor Cleaning

    Directory of Open Access Journals (Sweden)

    Zvegintsev Valery Ivanovich

    2012-01-01

    Full Text Available The most economical technology for production of titanium dioxide pigment is plasma-chemical syntheses with the heating of the oxygen. The highlight of the given reaction is formation of a solid phase as a result of interactions between two gases, thus brings the formation of particle deposits on the reactor walls, and to disturbing the normal operation of the technological process. For the solving of the task of reactor internal walls cleaning the pulsed gaseous system was suggested and investigated, which throws circular oxygen jet along surfaces through regular intervals. Study of aerodynamic efficiency of the impulse system was carried by numerical modeling and experimentally with the help of a specially created experimental facility. The distribution of the pulsed flow velocity at the exit of cylindrical reactor was measured. The experimental results have shown that used impulse device creates a pulsed jet with high value of the specified flow rate. It allows to get high velocities that are sufficient for the particle deposits destruction and their removal away. Designed pulsed peelings system has shown high efficiency and reliability in functioning that allows us to recommend it for wide spreading in chemical industry.

  17. Chemical composition of Titan's aerosols analogues characterized with a systematic pyrolysis-gas chromatography-mass spectrometry characterization

    Science.gov (United States)

    Szopa, Cyril; Raulin, Francois; Coll, Patrice; Cabane, Michel; GCMS Team

    2014-05-01

    The in situ chemical characterization of Titan's atmosphere was achieved in 2005 with two instruments present onboard the Huygens atmospheric probe : the Aerosol Collector and Pyrolyzer (ACP) devoted to collect and pyrolyse Titan's aerosols ; the Gas Chromatograph-Mass Spectrometer (GCMS) experiment devoted to analyze gases collected in the atmosphere or coming from the aerosols pyrolysis. The GCMS was developed by Hasso Niemann in the filiation of the quadrupole mass spectrometers he built for several former space missions. The main objectives were to : determine the concentration profile of the most abundant chemical species; seek for minor atmospheric organic species not detected with remote observations ; give a first view of the organic aerosols structure; characterize the condensed volatiles present at the surface (e.g. lakes) in case of survival of the probe to the landing impact. Taking into account for the potential complexity of the gaseous samples to be analyzed, it was decided to couple to the MS analyzer a gas chromatograph capable to separate volatile species from light inorganic molecules and noble gases, to organic compounds including aromatics. This was the first GCMS analyzer that worked in an extraterrestrial environment since the Viking missions on Mars. Even if the GCMS coupling mode did not provide any result of interest, it has been demonstrated to be functional during the Huygens descent. But, the direct MS analysis of the atmosphere, and the pyrolysis-MS analysis of aerosols allowed to make great discoveries which are still of primary importance to describe the Titan's lower atmosphere composition. This contribution aims at presenting this instrument that worked in the Titan's atmosphere, and summarizing the most important discoveries it allowed.

  18. Use of a gas-sensor array for detecting volatile organic compounds (VOC) in chemically induced cells.

    Science.gov (United States)

    Pasini, Patrizia; Powar, Nilesh; Gutierrez-Osuna, Ricardo; Daunert, Sylvia; Roda, Aldo

    2004-01-01

    An application of gas sensors for rapid bioanalysis is presented. An array of temperature-modulated semiconductor sensors was used to characterize the headspace above a cell culture. Recombinant Saccharomyces cerevisiae yeast cells, able to respond to 17 beta-estradiol by producing a reporter protein, were used as a model system. Yeast cells had the DNA sequence of the human estrogen receptor stably integrated into the genome, and contained expression plasmids carrying estrogen-responsive sequences and the reporter gene lac-Z, encoding the enzyme beta-galactosidase. The sensor-response profiles showed small but noticeable discrimination between cell samples induced with 17 beta-estradiol and non-induced cell samples. The sensor array was capable of detecting changes in the volatile organic compound composition of the headspace above the cultured cells, which can be associated with metabolic changes induced by a chemical compound. This finding suggests the possibility of using cross-selective gas-sensor arrays for analysis of drugs or bioactive molecules through their interaction with cell systems, with the advantage of providing information on their bioavailability.

  19. Express analysis of explosives, chemical warfare agents and drugs with multicapillary column gas chromatography and ion mobility increment spectrometry.

    Science.gov (United States)

    Buryakov, Igor A

    2004-02-05

    Description of a gas chromatograph designed for express analysis of explosives (2,4-dinitrotoluene, 2,4,6-trinitrotoluene, pentaerythritol tetranitrate), chemical warfare agents (mustard gas, lewisite, sarin) and drugs (heroin, cocaine hydrochloride, crack) is given. The devices comprises a multicapillary chromatographic column and an ion mobility increment spectrometer (MCC-IMIS). The main analytical characteristics of an IMIS (estimated detection limit (DL), linear dynamic range (LDR), speed of response) and a chromatographic column (separation power, degree of separation, a number of possible peaks at a chromatogram section, divided by analysis time) are determined. The maximum value of DL equal to 5 pg/ml was registered for cis-alpha-LW, and the lowest one of 0.001 pg/ml was for cocaine. The maximum value of LDR equal to 1000 was registered for sarin and the lowest one of 150 was for the ions of lewisite. Speed of response of one compound detection with the IMIS was 0.7 s.

  20. A simulation code treating all twelve isotopic species of hydrogen gas and water for multistage chemical exchange column

    Energy Technology Data Exchange (ETDEWEB)

    Yamanishi, Toshihiko; Okuno, Kenji [Japan Atomic Energy Research Inst., Naka, Ibaraki (Japan). Naka Fusion Research Establishment

    1994-12-01

    A simulation code of the multistage chemical exchange column has been developed. The column has an electrolysis cell, a section for the liquid phase catalytic exchange, and a recombiner. The sieve trays and the catalyst beds are separated in the section for the liquid-vapor scrubbing steps and for the vapor-hydrogen gas exchange steps. This type of column is a promising system for the tritiated water processing. The code can deal with all the twelve molecular species of the hydrogen gas and the water. The equilibrium of atomic elements of H, D and T is also considered in the liquid phase. The Murphree-type factors are introduced in the code to evaluate the efficiencies for the sieve trays and catalyst beds. The solution of basic equations can be found out by the Newton-Raphson method. The atom fractions of D and T on the scrubbing trays are the independent variables of the equations: The order of the Jacobian matrix is only twice the number of sieve trays. The solution of the basic equations could be obtained for several example cases; and no difficulty was observed for the convergence of the calculations. Broyden`s method was quite effective to reduce computation time of the code. (author).

  1. Molecular structure of chloro-dodecafluorosubphthalocyanato boron(III) by gas-phase electron diffraction and quantum chemical calculations.

    Science.gov (United States)

    Samdal, S; Volden, H V; Ferro, V R; García de la Vega, J M; Gonzalez-Rodríguez, D; Torres, T

    2007-05-24

    The molecular structure of the chloro-dodecafluorosubphthalocyaninato boron(III) (F-SubPc) was determined with use of Gas Electron Diffraction (GED) and high-level quantum chemical calculations. The present results show that the F-SubPc molecule has a cone-shaped configuration, isoindole units are not planar, and the pyrrole ring has an envelope conformation. The structure parameters in the gas phase are determined. Some structural details can be observed such as the dihedral angle about the bond connecting the pyrrole ring and the benzene ring being ca. 174 degrees . High-level theoretical calculations with several extended basis sets for this molecule have been carried out. The calculations are in very good agreement with experimental methods: X-ray and GED. Nevertheless, some disagreements particularly related to the B-Cl bond distance found in GED are discussed. Vibrational frequencies were computed obtaining eight values below 100 cm-1 and three bending potentials were examined. They suggest that this molecule is very flexible.

  2. Analysis of chemical warfare agents in organic liquid samples with magnetic dispersive solid phase extraction and gas chromatography mass spectrometry for verification of the chemical weapons convention.

    Science.gov (United States)

    Singh, Varoon; Purohit, Ajay Kumar; Chinthakindi, Sridhar; Goud, Raghavender D; Tak, Vijay; Pardasani, Deepak; Shrivastava, Anchal Roy; Dubey, Devendra Kumar

    2016-05-27

    A simple, sensitive and low temperature sample preparation method is developed for detection and identification of Chemical Warfare Agents (CWAs) and scheduled esters in organic liquid using magnetic dispersive solid phase extraction (MDSPE) followed by gas chromatography-mass spectrometry analysis. The method utilizes Iron oxide@Poly(methacrylic acid-co-ethylene glycol dimethacrylate) resin (Fe2O3@Poly(MAA-co-EGDMA)) as sorbent. Variants of these sorbents were prepared by precipitation polymerization of methacrylic acid-co-ethylene glycol dimethacrylate (MAA-co-EGDMA) onto Fe2O3 nanoparticles. Fe2O3@poly(MAA-co-EGDMA) with 20% MAA showed highest recovery of analytes. Extractions were performed with magnetic microspheres by MDSPE. Parameters affecting the extraction efficiency were studied and optimized. Under the optimized conditions, method showed linearity in the range of 0.1-3.0μgmL(-1) (r(2)=0.9966-0.9987). The repeatability and reproducibility (relative standard deviations (RSDs) %) were in the range of 4.5-7.6% and 3.4-6.2% respectively for organophosphorous esters in dodecane. Limits of detection (S/N=3/1) and limit of quantification (S/N=10/1) were found to be in the range of 0.05-0.1μgmL(-1) and 0.1-0.12μgmL(-1) respectively in SIM mode for selected analytes. The method was successfully validated and applied to the extraction and identification of targeted analytes from three different organic liquids i.e. n-hexane, dodecane and silicon oil. Recoveries ranged from 58.7 to 97.3% and 53.8 to 95.5% at 3μgmL(-1) and 1μgmL(-1) spiking concentrations. Detection of diethyl methylphosphonate (DEMP) and O-Ethyl S-2-diisopropylaminoethyl methylphosphonothiolate (VX) in samples provided by the Organization for Prohibition of Chemical Weapons Proficiency Test (OPCW-PT) proved the utility of the developed method for the off-site analysis of CWC relevant chemicals. Copyright © 2016 Elsevier B.V. All rights reserved.

  3. Chemical Gated Field Effect Transistor by Hybrid Integration of One-Dimensional Silicon Nanowire and Two-Dimensional Tin Oxide Thin Film for Low Power Gas Sensor.

    Science.gov (United States)

    Han, Jin-Woo; Rim, Taiuk; Baek, Chang-Ki; Meyyappan, M

    2015-09-30

    Gas sensors based on metal-oxide-semiconductor transistor with the polysilicon gate replaced by a gas sensitive thin film have been around for over 50 years. These are not suitable for the emerging mobile and wearable sensor platforms due to operating voltages and powers far exceeding the supply capability of batteries. Here we present a novel approach to decouple the chemically sensitive region from the conducting channel for reducing the drive voltage and increasing reliability. This chemically gated field effect transistor uses silicon nanowire for the current conduction channel with a tin oxide film on top of the nanowire serving as the gas sensitive medium. The potential change induced by the molecular adsorption and desorption allows the electrically floating tin oxide film to gate the silicon channel. As the device is designed to be normally off, the power is consumed only during the gas sensing event. This feature is attractive for the battery operated sensor and wearable electronics. In addition, the decoupling of the chemical reaction and the current conduction regions allows the gas sensitive material to be free from electrical stress, thus increasing reliability. The device shows excellent gas sensitivity to the tested analytes relative to conventional metal oxide transistors and resistive sensors.

  4. Numerical simulation of CO2 separation from gas mixtures in membrane modules: Effect of chemical absorbent

    Directory of Open Access Journals (Sweden)

    Seyed Mohammad Reza Razavi

    2016-01-01

    Full Text Available In this study, a mathematical model is proposed for prediction of CO2 absorption from N2/CO2 mixture by potassium threonate in a hollow-fiber membrane contactor (HFMC. CFD technique using numerical method of finite element was applied to solve the governing equations of model. Effect of different factors on CO2 absorption was analyzed and for investigation of absorbent type effect, functioning of potassium threonate was compared with diethanolamine (DEA. Axial and radial diffusion can be described with the two dimensional model established in this work. The obtained simulation results were compared with the reported experimental data to ensure accuracy of the model predictions. Comparison of model results with experimental data revealed that the developed model can well predict CO2 capture by potassium threonate in HFMCs. Increment of absorbent flow rate and concentration eventuate in enhancement of CO2 absorption. On the other hand, capture of CO2 will be reduced with increment of gas flow rate. According to the model results, potassium threonate can be considered as a more efficient absorbent as compared with DEA.

  5. Methyl chloride via oxyhydrochlorination of methane: A building block for chemicals and fuels from natural gas

    Energy Technology Data Exchange (ETDEWEB)

    Benson, R.L.; Brown, S.S.D.; Ferguson, S.P.; Jarvis, R.F. Jr. [Dow Corning Corp., Carrollton, KY (United States)

    1995-12-31

    The objectives of this program are to (a) develop a process for converting natural gas to methyl chloride via an oxyhydrochlorination route using highly selective, stable catalysts in a fixed-bed, (b) design a reactor capable of removing the large amount of heat generated in the process so as to control the reaction, (c) develop a recovery system capable of removing the methyl chloride from the product stream and (d) determine the economics and commercial viability of the process. The general approach has been as follows: (a) design and build a laboratory scale reactor, (b) define and synthesize suitable OHC catalysts for evaluation, (c) select first generation OHC catalyst for Process Development Unit (PDU) trials, (d) design, construct and startup PDU, (e) evaluate packed bed reactor design, (f) optimize process, in particular, product recovery operations, (g) determine economics of process, (h) complete preliminary engineering design for Phase II and (i) make scale-up decision and formulate business plan for Phase II. Conclusions regarding process development and catalyst development are presented.

  6. Gas phase propylene epoxidation over Au supported on titanosilicates with different Ti chemical environments

    Science.gov (United States)

    Chen, Xuan-Ye; Chen, Shi-Long; Jia, Ai-Pin; Lu, Ji-Qing; Huang, Wei-Xin

    2017-01-01

    Three Ti-containing porous materials - a mesoporous Ti-MCM-41 with distorted tetrahedral framework Ti sites (denoted as Ti-MCM-41-C), a microporous titanium silicate (TS-1) with tetrahedral framework Ti sites and a hybrid Ti-MCM-41 containing TS-1 microstructure (denoted as Ti-MCM-41-H) were used to prepare supported Au catalysts for gas phase propylene epoxidation in the presence of H2 and O2. Both catalyst structures and catalytic reaction kinetics were investigated in detail. The kinetic results show that the apparent activation energies for both PO and CO2 formation follow the order of Au/Ti-MCM-41-C Au/TS-1 > Au/Ti-MCM-41-C, in consistence with the order of propylene conversion rate, and the adsorption stability follows the order of Au/TS-1 > Au/Ti-MCM-41-H > Au/Ti-MCM-41-C, in consistence with the order of apparent activation energy. These results demonstrated that the adsorption strength of propylene on the titanosilicates supports strongly affected the catalytic behavior, and implied that the support with balanced defective Ti sites and mesoporous/microporous structure may be a promising approach in the preparation of high-performance supported Au catalysts.

  7. Physico-chemical characterization of non-aqueous colloidal gas aphron-based drilling fluids

    Energy Technology Data Exchange (ETDEWEB)

    Shivhare, S.; Kuru, E. [Alberta Univ., Edmonton, AB (Canada)

    2010-07-01

    Aphron drilling fluids represent a new technique in oil well drilling and completion that results in less formation damage in horizontal wells, or in depleted wells that may be fractured. The aphron drilling fluid provides a mechanism to seal the formation opening, and balance the pressure difference between the formation and borehole. This paper focused on the colloidal gas aphron (CGA) based drilling fluids that minimize formation damage by blocking the pores of the rock with microbubbles. The sealing ability of the drilling fluid is determined by the proper sizing of the microbubbles with respect to pore size distribution. The viscosity, density and fluid loss of the CGA base drilling fluids must be well understood for effective drilling operations. These fluids have been successfully used in high-angle horizontal wells drilled in low permeability and highly depleted reservoirs. However, improvements can be made if the water can be replaced with non-aqueous base fluid such as mineral oil. Therefore, an experimental study was conducted to determine the effect of base fluid composition on the microbubble size and stability. The study determined the surfactant and polymer concentrations needed for optimum formulation of mineral oil base CGA drilling fluids. 17 refs., 3 tabs., 17 figs.

  8. Catalytic dry reforming of natural gas for the production of chemicals and hydrogen

    Directory of Open Access Journals (Sweden)

    Verykios Xenophon E.

    2002-01-01

    Full Text Available Carbon dioxide reforming of methane to synthesis gas was studied over Ni-based catalysts. It is shown that, in contrast to other Ni-based catalysts which exhibit continuous deactivation with time-on-stream, the rate over the Ni/La2O3 catalyst increases during the initial 2-3 h of reaction and then tends to be essentially invariable, displaying very good stability. X-ray diffraction, hydrogen and CO uptake studies, as well as high resolution TEM indicate that, under reaction conditions, the Ni particles are partially covered by La2O2CO3 species which are formed by interaction of La2O2 with CO2. Catalytic activity occurs at the Ni- La2O2CO3 interface, while the oxycarbonate species participate directly by reacting with deposited carbon, thus restoring the activity of the Ni sites at the interface. XPS and FTIR studies provide evidence in support of this mechanistic scheme. It was also found that methane cracking on Ni sites and surface reaction between deposited carbon and oxycarbonate species are the rate determining steps in the reaction sequence. A kinetic model is developed based on this mechanistic scheme, which is found to predict satisfactorily the kinetic measurements.

  9. Using gas flux to estimate biological and chemical sediment oxygen demand in oil sands-affected wetlands

    Energy Technology Data Exchange (ETDEWEB)

    Gardner Costa, J.; Slama, C.; Ciborowski, J. [Windsor Univ., ON (Canada)

    2010-07-01

    The constituents of oil sands process-affected (OSPM) wetlands include high salinity, conductivity and naphthenic acid concentrations. These constituents are expected to strain microbial communities and change methane and carbon dioxide flux rates as well as sediment oxygen consumption compared to fresher, reference wetland sites. Four OSPM and 4 reference wetlands were examined during the summers of 2009 and 2010 to determine if carbon loss in the form of sediment-associated microbial respiration differs between OSPM and reference wetlands. The study showed that OSPM wetlands release about 10 times less methane than reference wetlands. Sediment oxygen demand (SOD) was measured in 2009 and gas flux estimates of carbon dioxide were used to estimate biological sediment oxygen consumption (BSOC). Chemical sediment oxygen demand (CSOD) was estimated by subtracting BSOC from total SOD. SOD rates were found to be two times higher in OSPM wetlands than reference. CSOD was higher than biologically consumed oxygen for both wetland classes. Although microbial activity in OSPM wetlands may be lower, more oxygen is consumed in OSPM than in reference wetlands. The reclamation of boreal wetlands in the Alberta Athabasca region requires carbon accrual. Less microbial activity may promote carbon accumulation within OSPM wetlands. However, the wetland's sediment layer may have less organic input as a result of high chemical oxygen consumption because it limits benthos respiration.

  10. Multi-residue analysis of pesticides in traditional Chinese medicines using gas chromatography-negative chemical ionisation tandem mass spectrometry.

    Science.gov (United States)

    Nie, Jing; Miao, Shui; Lehotay, Steven J; Li, Wen-Ting; Zhou, Heng; Mao, Xiu-Hong; Lu, Ji-Wei; Lan, Lan; Ji, Shen

    2015-01-01

    In this study, a residue analysis method for the simultaneous determination of 107 pesticides in traditional Chinese medicines (TCMs), Angelica sinensis, A. dahurica, Leonurus heterophyllus Sweet, Pogostemon cablin and Lonicera japonica Thunb., was developed using gas chromatography coupled with tandem mass spectrometry in negative chemical ionisation mode (GC-NCI-MS/MS). NCI has advantages of high sensitivity and selectivity to chemicals with electron-withdrawing groups, and yields low background interference. For sample preparation, QuEChERS (quick, easy, cheap, effective, rugged and safe) was applied. Due to the unique characteristics of TCMs, the clean-up step was optimised by adjusting amounts of primary secondary amine, C18, graphitised carbon black and silica sorbents. Validation was mainly performed by determining analyte recoveries at four different spiking concentrations of 10, 50, 100 and 200 ng g(-1), with seven replicates at each concentration. Method trueness, precision, linearity of calibration curves, lowest calibrated levels (LCLs) and matrix effects were determined to demonstrate method and instrument performance. Among the 107 pesticides tested, approximately 80% gave recoveries from 80% to 110% and pesticides were 5 ng g(-1), and as low as 0.1 ng g(-1) for dichlofenthion, endosulfan sulphate, flumetralin, isofenphos-methyl, methyl-pentachlorophenyl sulphide and trifluralin. The results indicate that GC-NCI-MS/MS is an excellent technique for quantitative and qualitative analysis of targeted GC-amenable pesticides at ultra-trace levels, especially in complex matrices such as TCMs.

  11. Chemical characterization of diesel and hydrotreated vegetable oil (HVO) soot after reactive gas probing using diffuse reflectance FTIR spectroscopy (DRIFTS).

    Science.gov (United States)

    Tapia, A; Salgado, M S; Martín, M P; Rodríguez-Fernández, J; Rossi, M J; Cabañas, B

    2017-03-01

    A chemical characterization of diesel and hydrotreated vegetable oil (HVO) soot has been developed using diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) before and after the reaction with different probe gases. Samples were generated under combustion conditions corresponding to an urban operation mode of a diesel engine and were reacted with probe gas-phase molecules in a Knudsen flow reactor. Specifically, NH2OH, O3 and NO2 were used as reactants (probes) and selected according to their reactivities towards specific functional groups on the sample surface. Samples of previously ground soot were diluted with KBr and were introduced in a DRIFTS accessory. A comparison between unreacted and reacted soot samples was made in order to establish chemical changes on the soot surface upon reaction. It was concluded that the interface of diesel and HVO soot before reaction mainly consists polycyclic aromatic hydrocarbons, nitro and carbonyl compounds, as well as ether functionalities. The main difference between both soot samples was observed in the band of the C=O groups that in diesel soot was observed at 1719 cm-1 but not in HVO soot. After reaction with probe gases, it was found that nitro compounds remain on the soot surface, that the degree of unsaturation decreases for reacted samples, and that new spectral bands such as hydroxyl groups are observed.

  12. Characterization of phenolic compounds in coal tar by gas chromatography/negative-ion atmospheric pressure chemical ionization mass spectrometry.

    Science.gov (United States)

    Ma, Sutian; Ma, Chao; Qian, Kejun; Zhou, Yasong; Shi, Quan

    2016-08-15

    Phenolic compounds are commonly found in fossel fuels and bio-oils, and have a detrimental effect on the chemical stability of the fuels. A selective analytical method is needed to characterize the phenolic compounds in complex hydrocarbon mixtures. Gas chromatography/atmospheric pressure chemical ionization mass spectrometry (GC/APCI-MS) was used to characterize the phenolic compounds in a low-temperature coal tar and its narrow distillate fractions. Negative-ion APCI selectively ionized phenolic compounds in the coal tar. The [M-H](-) and [M-H + O](-) ions were derived from monohydric phenols, while [M-H](-) , [M-2H](-) , and [M-2H + O](-) were from benzenediols. Monohydric phenolic compounds with 1-4 aromatic rings and some dihydric phenolic compounds were identified. The results from GC/APCI-MS were validated by those from negative electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FTICRMS). Negative-ion GC/APCI-MS was proposed and successfully used to characterize phenolic compounds in coal tar samples. This technique can potentially be used for the characterization of phenolic compounds in other complex hydrocarbon systems. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  13. Inversion of long-lived trace gas emissions using combined Eulerian and Lagrangian chemical transport models

    Directory of Open Access Journals (Sweden)

    M. Rigby

    2011-09-01

    Full Text Available We present a method for estimating emissions of long-lived trace gases from a sparse global network of high-frequency observatories, using both a global Eulerian chemical transport model and Lagrangian particle dispersion model. Emissions are derived in a single step after determining sensitivities of the observations to initial conditions, the high-resolution emissions field close to observation points, and larger regions further from the measurements. This method has the several advantages over inversions using one type of model alone, in that: high-resolution simulations can be carried out in limited domains close to the measurement sites, with lower resolution being used further from them; the influence of errors due to aggregation of emissions close to the measurement sites can be minimized; assumptions about boundary conditions to the Lagrangian model do not need to be made, since the entire emissions field is estimated; any combination of appropriate models can be used, with no code modification. Because the sensitivity to the entire emissions field is derived, the estimation can be carried out using traditional statistical methods without the need for multiple steps in the inversion. We demonstrate the utility of this approach by determining global SF6 emissions using measurements from the Advanced Global Atmospheric Gases Experiment (AGAGE between 2007 and 2009. The global total and large-scale patterns of the derived emissions agree well with previous studies, whilst allowing emissions to be determined at higher resolution than has previously been possible, and improving the agreement between the modeled and observed mole fractions at some sites.

  14. Chemical Composition, in vitro Digestibility and Fermentative Gas Production of Kochia scoparia Irrigated by Water Containing Different Level of Salinity

    Directory of Open Access Journals (Sweden)

    reza valizadeh

    2016-11-01

    Full Text Available Introduction Shortage of feedstuff is one of the important problems of animal nutrition in Iran. Salinity is a global problem worldwide in particular in arid and semi-arid zones such as Iran. Salinity is an important factor in the growth of plants. Its initial effect to plants is through its effect in the availability of water to plants. Halophytes have good ability to draw water from soils of low water potential due to their ability to maintain a salt balance comparable to the salt in the soil they are growing. Lands in high irrigation districts are susceptible to soil salinization. Soil salinization is the primary cause of productivity decline in highly developed and irrigated land schemes While the increase in soil and water salinity in many agricultural areas of the world has created major challenges in the production of food crops, it has also presented some new prospects for livestock agriculture. There are plants that grow under saline conditions, and historically, they have been opportunistically used as fodder for grazing livestock or as components of mixed rations to replace roughage. Using of seawater for irrigation of this plant because of shortage of sweet water and for higher production of these plants was necessary for feedstuff. The aim of this study was evaluation of Chemical composition, In vitro digestibility and gas production of Kochia scoparia under six level of salinity including 10, 20, 30, 40, 50, 60 ds/m. Materials and Methods The Kochia scoparia was irrigated by normal tap water (the control and water containing 6 levels of salinity including 10, 20, 30, 40, 50, 60 deci Siemens per meter (ds/m. The salinity was applied gradually in accordance with the plant growth advancement (2 ds/m increment per each irrigation period. Oven dried (65◦C for 48 h chopped samples were ground to pass through a 1-mm screen. The samples were analyzed according to the standard procedures for chemical composition (AOAC 2000, Van-Soest et

  15. Application of gas chromatography–(triple quadrupole) massspectrometry with atmospheric pressure chemical ionization for thedetermination of multiclass pesticides in fruits and vegetables

    NARCIS (Netherlands)

    Cherta, L.; Portoles, T.; Beltran, J.; Pitarch, E.; Mol, J.G.J.; Hernandez, F.

    2013-01-01

    A multi-residue method for the determination of 142 pesticide residues in fruits and vegetables has been developed using a new atmospheric pressure chemical ionization (APCI) source for coupling gas chromatography (GC) to tandem mass spectrometry (MS). Selected reaction monitoring (SRM) mode has

  16. Validation of a qualitative screening method for pesticides in fruits and vegetables by gas chromatography quadrupole-time of flight mass spectrometry with atmospheric pressure chemical ionization

    NARCIS (Netherlands)

    Portoles, T.; Mol, J.G.J.; Sancho, J.V.; Lopez, F.J.; Hernandez, F.

    2014-01-01

    A wide-scope screening method was developed for the detection of pesticides in fruit and vegetables. The method was based on gas chromatography coupled to a hybrid quadrupole time-of-flight mass spectrometer with an atmospheric pressure chemical ionization source (GC-(APCI)QTOF MS). A non-target

  17. Gas chromatography/chemical ionization triple quadrupole mass spectrometry analysis of anabolic steroids: ionization and collision-induced dissociation behavior.

    Science.gov (United States)

    Polet, Michael; Van Gansbeke, Wim; Van Eenoo, Peter; Deventer, Koen

    2016-02-28

    The detection of new anabolic steroid metabolites and new designer steroids is a challenging task in doping analysis. Switching from electron ionization gas chromatography triple quadrupole mass spectrometry (GC/EI-MS/MS) to chemical ionization (CI) has proven to be an efficient way to increase the sensitivity of GC/MS/MS analyses and facilitate the detection of anabolic steroids. CI also extends the possibilities of GC/MS/MS analyses as the molecular ion is retained in its protonated form due to the softer ionization. In EI it can be difficult to find previously unknown but expected metabolites due to the low abundance or absence of the molecular ion and the extensive (and to a large extent unpredictable) fragmentation. The main aim of this work was to study the CI and collision-induced dissociation (CID) behavior of a large number of anabolic androgenic steroids (AAS) as their trimethylsilyl derivatives in order to determine correlations between structures and CID fragmentation. Clarification of these correlations is needed for the elucidation of structures of unknown steroids and new metabolites. The ionization and CID behavior of 65 AAS have been studied using GC/CI-MS/MS with ammonia as the reagent gas. Glucuronidated AAS reference standards were first hydrolyzed to obtain their free forms. Afterwards, all the standards were derivatized to their trimethylsilyl forms. Full scan and product ion scan analyses were used to examine the ionization and CID behavior. Full scan and product ion scan analyses revealed clear correlations between AAS structure and the obtained mass spectra. These correlations were confirmed by analysis of multiple hydroxylated, methylated, chlorinated and deuterated analogs. AAS have been divided into three groups according to their ionization behavior and into seven groups according to their CID behavior. Correlations between fragmentation and structure were revealed and fragmentation pathways were postulated. Copyright © 2016 John Wiley

  18. Influence of main dietary chemical constituents on the in vitro gas and methane production in diets for dairy cows.

    Science.gov (United States)

    Maccarana, Laura; Cattani, Mirko; Tagliapietra, Franco; Bailoni, Lucia; Schiavon, Stefano

    2016-01-01

    Modification of chemical composition of diets fed to dairy cows might be a good strategy to reduce methane (CH4) production in the rumen. Notable reductions of CH4 production compared to conventional high-roughages rations were more frequently observed for very concentrated diets or when fat supplements were used. In these cases, the reduction in the gas emission was mainly a consequence of an overall impairment of rumen function with a reduction of fiber digestibility. These strategies do not always comply with feeding standards used in intensive dairy farms and they are usually not applied owing to the risks of negative health and economic consequences. Thus, the present study evaluated the effects of seven commercial diets with contents of neutral detergent fiber (NDF), protein and lipids ranging 325 to 435 g/kg DM, 115 to 194 g/kg DM, and 26 to 61 g/kg DM, respectively, on in vitro degradability, gas (GP), and CH4 production. In this experiment, changes in the dietary content of NDF, crude protein (CP) and lipids were always obtained at the expense or in favor of starch. A decreased of the dietary NDF content increased NDF (NDFd) and true DM (TDMd) degradability, and increased CH4 production per g of incubated DM (P production per g of TDMd was not affected. An increased dietary lipid content reduced NDFd, TDMd, and GP per g of incubated DM, but it had no consequence on CH4 production per g of TDMd. It was concluded that, under commercial conditions, changes in dietary composition would produce small or negligible alterations of CH4 production per unit of TDMd, but greater differences in GP and CH4 production would be expected when these amounts are expressed per unit of DM intake. The use of TDMd as a standardizing parameter is proposed to account for possible difference in DM intake and productivity.

  19. A computer program for two-dimensional and axisymmetric nonreacting perfect gas and equilibrium chemically reacting laminar, transitional and-or turbulent boundary layer flows

    Science.gov (United States)

    Miner, E. W.; Anderson, E. C.; Lewis, C. H.

    1971-01-01

    A computer program is described in detail for laminar, transitional, and/or turbulent boundary-layer flows of non-reacting (perfect gas) and reacting gas mixtures in chemical equilibrium. An implicit finite difference scheme was developed for both two dimensional and axisymmetric flows over bodies, and in rocket nozzles and hypervelocity wind tunnel nozzles. The program, program subroutines, variables, and input and output data are described. Also included is the output from a sample calculation of fully developed turbulent, perfect gas flow over a flat plate. Input data coding forms and a FORTRAN source listing of the program are included. A method is discussed for obtaining thermodynamic and transport property data which are required to perform boundary-layer calculations for reacting gases in chemical equilibrium.

  20. Operation of the NETL Chemical Looping Reactor with Natural Gas and a Novel Copper-Iron Material

    Energy Technology Data Exchange (ETDEWEB)

    Straub, Douglas [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Bayham, Samuel [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Weber, Justin [National Energy Technology Lab. (NETL), Morgantown, WV (United States)

    2017-02-21

    The proposed Clean Power Plan requires CO2 emission reductions of 30% by 2030 and further reductions are targeted by 2050. The current strategies to achieve the 30% reduction targets do not include options for coal. However, the 2016 Annual Energy Outlook suggests that coal will continue to provide more electricity than renewable sources for many regions of the country in 2035. Therefore, cost effective options to reduce greenhouse gas emissions from fossil fuel power plants are vital in order to achieve greenhouse gas reduction targets beyond 2030. As part of the U.S. Department of Energy’s Advanced Combustion Program, the National Energy Technology Laboratory’s Research and Innovation Center (NETL R&IC) is investigating the feasibility of a novel combustion concept in which the GHG emissions can be significantly reduced. This concept involves burning fuel and air without mixing these two reactants. If this concept is technically feasible, then CO2 emissions can be significantly reduced at a much lower cost than more conventional approaches. This indirect combustion concept has been called Chemical Looping Combustion (CLC) because an intermediate material (i.e., a metal-oxide) is continuously cycled to oxidize the fuel. This CLC concept is the focus of this research and will be described in more detail in the following sections. The solid material that is used to transport oxygen is called an oxygen carrier material. The cost, durability, and performance of this material is a key issue for the CLC technology. Researchers at the NETL R&IC have developed an oxygen carrier material that consists of copper, iron, and alumina. This material has been tested extensively using lab scale instruments such as thermogravimetric analysis (TGA), scanning electron microscopy (SEM), mechanical attrition (ASTM D5757), and small fluidized bed reactor tests. This report will describe the results from a realistic, circulating, proof-of-concept test that was

  1. Gas Fermentation—A Flexible Platform for Commercial Scale Production of Low-Carbon-Fuels and Chemicals from Waste and Renewable Feedstocks

    Science.gov (United States)

    Liew, FungMin; Martin, Michael E.; Tappel, Ryan C.; Heijstra, Björn D.; Mihalcea, Christophe; Köpke, Michael

    2016-01-01

    There is an immediate need to drastically reduce the emissions associated with global fossil fuel consumption in order to limit climate change. However, carbon-based materials, chemicals, and transportation fuels are predominantly made from fossil sources and currently there is no alternative source available to adequately displace them. Gas-fermenting microorganisms that fix carbon dioxide (CO2) and carbon monoxide (CO) can break this dependence as they are capable of converting gaseous carbon to fuels and chemicals. As such, the technology can utilize a wide range of feedstocks including gasified organic matter of any sort (e.g., municipal solid waste, industrial waste, biomass, and agricultural waste residues) or industrial off-gases (e.g., from steel mills or processing plants). Gas fermentation has matured to the point that large-scale production of ethanol from gas has been demonstrated by two companies. This review gives an overview of the gas fermentation process, focusing specifically on anaerobic acetogens. Applications of synthetic biology and coupling gas fermentation to additional processes are discussed in detail. Both of these strategies, demonstrated at bench-scale, have abundant potential to rapidly expand the commercial product spectrum of gas fermentation and further improve efficiencies and yields. PMID:27242719

  2. Gas Fermentation-A Flexible Platform for Commercial Scale Production of Low-Carbon-Fuels and Chemicals from Waste and Renewable Feedstocks.

    Science.gov (United States)

    Liew, FungMin; Martin, Michael E; Tappel, Ryan C; Heijstra, Björn D; Mihalcea, Christophe; Köpke, Michael

    2016-01-01

    There is an immediate need to drastically reduce the emissions associated with global fossil fuel consumption in order to limit climate change. However, carbon-based materials, chemicals, and transportation fuels are predominantly made from fossil sources and currently there is no alternative source available to adequately displace them. Gas-fermenting microorganisms that fix carbon dioxide (CO2) and carbon monoxide (CO) can break this dependence as they are capable of converting gaseous carbon to fuels and chemicals. As such, the technology can utilize a wide range of feedstocks including gasified organic matter of any sort (e.g., municipal solid waste, industrial waste, biomass, and agricultural waste residues) or industrial off-gases (e.g., from steel mills or processing plants). Gas fermentation has matured to the point that large-scale production of ethanol from gas has been demonstrated by two companies. This review gives an overview of the gas fermentation process, focusing specifically on anaerobic acetogens. Applications of synthetic biology and coupling gas fermentation to additional processes are discussed in detail. Both of these strategies, demonstrated at bench-scale, have abundant potential to rapidly expand the commercial product spectrum of gas fermentation and further improve efficiencies and yields.

  3. Gas Fermentation – A Flexible Platform for Commercial Scale Production of Low Carbon Fuels and Chemicals from Waste and Renewable Feedstocks

    Directory of Open Access Journals (Sweden)

    FungMin eLiew

    2016-05-01

    Full Text Available There is an immediate need to drastically reduce the emissions associated with global fossil fuel consumption in order to limit climate change. However, carbon-based materials, chemicals, and transportation fuels are predominantly made from fossil sources and currently there is no alternative source available to adequately displace them. Gas-fermenting microorganisms that fix carbon dioxide (CO2 and carbon monoxide (CO can break this dependence as they are capable of converting gaseous carbon to fuels and chemicals. As such, the technology can utilize a wide range of feedstocks including gasified organic matter of any sort (e.g., municipal solid waste, industrial waste, biomass, and agricultural waste residues or industrial off gasses (e.g., from steel mills or processing plants. Gas fermentation has matured to the point that large-scale production of ethanol from gas has been demonstrated by two companies. This review gives an overview of the gas fermentation process, focusing specifically on anaerobic acetogens. Applications of synthetic biology and coupling gas fermentation to additional processes are discussed in detail. Both of these strategies, demonstrated at bench-scale, have abundant potential to rapidly expand the commercial product spectrum of gas fermentation and further improve efficiencies and yields.

  4. Numerical prediction of the chemical composition of gas products at biomass combustion and co-combustion in a domestic boiler

    Directory of Open Access Journals (Sweden)

    Radomiak Henryk

    2017-01-01

    Full Text Available In recent years the numerical modelling of biomass combustion has been successfully applied to determine the combustion mechanism and predict its products. In this study the influence of the addition of waste glycerin in biomass wood pellets on the chemical composition of exhaust gases has been investigated. The pellets have been prepared from spruceand pine wood sawdust without and with addition of waste glycerin. The waste glycerol is a undesirable by-product of biodiesel transesterification at oil manufacturing. The produced pellets were being burned in the 10 kW domestic boiler adapted to wood pellets combustion. The possibilities of pollutants generation (CO2, CO, NOx SOx and compounds containing chlorine in the exhaust gases coming from the boiler were numerically calculated using the latest version of CHEMKIN-PRO software, introduced by the American company Reaction Design. The results of the calculations correspond to the data obtained on a real object, in particular: combustion temperature, gas pressure, residence time of fuel in the burner, air flow, fuel consumption, as well as elementary composition of fuel supplied into the boiler. The proposed method of predicting the chemical composition of exhaust gases allows proper control of the combustion process and can be considered as an important step in reducing the pollutants (lower emission of NOx, SOx and CO2 neutral and thus to contribute to the improvement of the environmental quality. In addition, knowledge of the amounts of Clbased compounds produced in combustion process (under given conditions, can serve as an important hint in terms of corrosion prevention of boiler- and chimney steels.

  5. Seized cannabis seeds cultivated in greenhouse: A chemical study by gas chromatography-mass spectrometry and chemometric analysis.

    Science.gov (United States)

    Mariotti, Kristiane de Cássia; Marcelo, Marcelo Caetano Alexandre; Ortiz, Rafael S; Borille, Bruna Tassi; Dos Reis, Monique; Fett, Mauro Sander; Ferrão, Marco Flôres; Limberger, Renata Pereira

    2016-01-01

    Cannabis sativa L. is cultivated in most regions of the world. In 2013, the Brazilian Federal Police (BFP) reported 220 tons of marijuana seized and about 800,000 cannabis plants eradicated. Efforts to eradicate cannabis production may have contributed to the development of a new form of international drug trafficking in Brazil: the sending of cannabis seeds in small amounts to urban centers by logistics postal. This new and increasing panorama of cannabis trafficking in Brazil, encouraged the chemical study of cannabis seeds cultivated in greenhouses by gas-chromatography coupled with mass spectrometry (GC-MS) associated with exploratory and discriminant analysis. Fifty cannabis seeds of different varieties and brands, seized by the BFP were cultivated under predefined conditions for a period of 4.5 weeks, 5.5 weeks, 7.5 weeks, 10 weeks and 12 weeks. Aerial parts were analyzed and cannabigerol, cannabinol, cannabidiol, cannabichromene Δ9-tetrahydrocannabinol (THC) and other terpenoids were detected. The chromatographic chemical profiles of the samples were significantly different, probably due to different variety, light exposition and age. THC content increased with the age of the plant, however, for other cannabinoids, this correlation was not observed. The chromatograms were plotted in a matrix with 50 rows (samples) and 3886 columns (abundance in a retention time) and submitted to PCA, HCA and PLS-DA after pretreatment (normalization, first derivative and autoscale). The PCA and HCA showed age separation between samples however it was not possible to verify the separation by varieties and brands. The PLS-DA classification provides a satisfactory prediction of plant age. Copyright © 2015 The Chartered Society of Forensic Sciences. Published by Elsevier Ireland Ltd. All rights reserved.

  6. Effect of Byproducts of Flue Gas Desulfurization on the Soluble Salts Composition and Chemical Properties of Sodic Soils

    Science.gov (United States)

    Wang, Jinman; Bai, Zhongke; Yang, Peiling

    2013-01-01

    The byproducts of flue gas desulfurization (BFGD) are a useful external source of Ca2+ for the reclamation of sodic soils because they are comparatively cheap, generally available and have high gypsum content. The ion solution composition of sodic soils also plays an important role in the reclamation process. The effect of BFGD on the soluble salts composition and chemical properties of sodic soils were studied in a soil column experiment. The experiment consisted of four treatments using two different sodic soils (sodic soil I and sodic soil II) and two BFGD rates. After the application of BFGD and leaching, the soil soluble salts were transformed from sodic salts containing Na2CO3 and NaHCO3 to neutral salts containing NaCl and Na2SO4. The sodium adsorption ratio (SAR), pH and electrical conductivity (EC) decreased at all soil depths, and more significantly in the top soil depth. At a depth of 0–40 cm in both sodic soil I and sodic soil II, the SAR, EC and pH were less than 13, 4 dS m−1 and 8.5, respectively. The changes in the chemical properties of the sodic soils reflected the changes in the ion composition of soluble salts. Leaching played a key role in the reclamation process and the reclamation effect was positively associated with the amount of leaching. The soil salts did not accumulate in the top soil layer, but there was a slight increase in the middle and bottom soil depths. The results demonstrate that the reclamation of sodic soils using BFGD is promising. PMID:23936481

  7. Sequential chemical treatment of radium species in TENORM waste sludge produced from oil and natural gas production.

    Science.gov (United States)

    El Afifi, E M; Awwad, N S; Hilal, M A

    2009-01-30

    This paper is dedicated to the treatment of sludge occurring in frame of the Egyptian produced from oil and gas production. The activity levels of three radium isotopes: Ra-226 (of U-series), Ra-228 and Ra-224 (of Th-series) in the solid TENORM waste (sludge) were first evaluated and followed by a sequential treatment for all radium species (fractions) presented in TENORM. The sequential treatment was carried out based on two approaches 'A' and 'B' using different chemical solutions. The results obtained indicate that the activity levels of all radium isotopes (Ra-226, Ra-228 and Ra-224) of the environmental interest in the TENORM waste sludge were elevated with regard to exemption levels established by IAEA [International Atomic Energy Agency (IAEA), International basic safety standards for the protection against ionizing radiation and for the safety of radiation sources. GOV/2715/Vienna, 1994]. Each approach of the sequential treatment was performed through four steps using different chemical solutions to reduce the activity concentration of radium in a large extent. Most of the leached radium was found as an oxidizable Ra species. The actual removal % leached using approach B was relatively efficient compared to A. It is observed that the actual removal percentages (%) of Ra-226, Ra-228 and Ra-224 using approach A are 78+/-2.8, 64.8+/-4.1 and 76.4+/-5.2%, respectively. Whereas in approach A, the overall removal % of Ra-226, Ra-228 and Ra-228 was increased to approximately 91+/-3.5, 87+/-4.1 and 90+/-6.2%, respectively.

  8. Effect of byproducts of flue gas desulfurization on the soluble salts composition and chemical properties of sodic soils.

    Science.gov (United States)

    Wang, Jinman; Bai, Zhongke; Yang, Peiling

    2013-01-01

    The byproducts of flue gas desulfurization (BFGD) are a useful external source of Ca(2+) for the reclamation of sodic soils because they are comparatively cheap, generally available and have high gypsum content. The ion solution composition of sodic soils also plays an important role in the reclamation process. The effect of BFGD on the soluble salts composition and chemical properties of sodic soils were studied in a soil column experiment. The experiment consisted of four treatments using two different sodic soils (sodic soil I and sodic soil II) and two BFGD rates. After the application of BFGD and leaching, the soil soluble salts were transformed from sodic salts containing Na2CO3 and NaHCO3 to neutral salts containing NaCl and Na2SO4. The sodium adsorption ratio (SAR), pH and electrical conductivity (EC) decreased at all soil depths, and more significantly in the top soil depth. At a depth of 0-40 cm in both sodic soil I and sodic soil II, the SAR, EC and pH were less than 13, 4 dS m(-1) and 8.5, respectively. The changes in the chemical properties of the sodic soils reflected the changes in the ion composition of soluble salts. Leaching played a key role in the reclamation process and the reclamation effect was positively associated with the amount of leaching. The soil salts did not accumulate in the top soil layer, but there was a slight increase in the middle and bottom soil depths. The results demonstrate that the reclamation of sodic soils using BFGD is promising.

  9. Effect of byproducts of flue gas desulfurization on the soluble salts composition and chemical properties of sodic soils.

    Directory of Open Access Journals (Sweden)

    Jinman Wang

    Full Text Available The byproducts of flue gas desulfurization (BFGD are a useful external source of Ca(2+ for the reclamation of sodic soils because they are comparatively cheap, generally available and have high gypsum content. The ion solution composition of sodic soils also plays an important role in the reclamation process. The effect of BFGD on the soluble salts composition and chemical properties of sodic soils were studied in a soil column experiment. The experiment consisted of four treatments using two different sodic soils (sodic soil I and sodic soil II and two BFGD rates. After the application of BFGD and leaching, the soil soluble salts were transformed from sodic salts containing Na2CO3 and NaHCO3 to neutral salts containing NaCl and Na2SO4. The sodium adsorption ratio (SAR, pH and electrical conductivity (EC decreased at all soil depths, and more significantly in the top soil depth. At a depth of 0-40 cm in both sodic soil I and sodic soil II, the SAR, EC and pH were less than 13, 4 dS m(-1 and 8.5, respectively. The changes in the chemical properties of the sodic soils reflected the changes in the ion composition of soluble salts. Leaching played a key role in the reclamation process and the reclamation effect was positively associated with the amount of leaching. The soil salts did not accumulate in the top soil layer, but there was a slight increase in the middle and bottom soil depths. The results demonstrate that the reclamation of sodic soils using BFGD is promising.

  10. Exponential-fitted methods for integrating stiff systems of ordinary differential equations: Applications to homogeneous gas-phase chemical kinetics

    Science.gov (United States)

    Pratt, D. T.

    1984-01-01

    Conventional algorithms for the numerical integration of ordinary differential equations (ODEs) are based on the use of polynomial functions as interpolants. However, the exact solutions of stiff ODEs behave like decaying exponential functions, which are poorly approximated by polynomials. An obvious choice of interpolant are the exponential functions themselves, or their low-order diagonal Pade (rational function) approximants. A number of explicit, A-stable, integration algorithms were derived from the use of a three-parameter exponential function as interpolant, and their relationship to low-order, polynomial-based and rational-function-based implicit and explicit methods were shown by examining their low-order diagonal Pade approximants. A robust implicit formula was derived by exponential fitting the trapezoidal rule. Application of these algorithms to integration of the ODEs governing homogenous, gas-phase chemical kinetics was demonstrated in a developmental code CREK1D, which compares favorably with the Gear-Hindmarsh code LSODE in spite of the use of a primitive stepsize control strategy.

  11. Atmospheric Pressure Chemical Ionization Gas Chromatography Mass Spectrometry for the Analysis of Selected Emerging Brominated Flame Retardants in Foods

    Science.gov (United States)

    Lv, Surong; Niu, Yumin; Zhang, Jing; Shao, Bing; Du, Zhenxia

    2017-03-01

    Emerging brominated flame retardants (eBFRs) other than polybrominated diphenyl ethers (PBDEs), polybrominated biphenyls (PBBs) and their derivatives in foods have been in focus in recent years due to their increasing production volumes, indefinite information on toxicities and the lack of data on occurrence in environments, foods as well as humans. In this study, gas chromatography was coupled to an atmospheric pressure chemical ionization-tandem mass spectrometry (APGC-MS/MS) for the analysis of six eBFRs in pork, chicken, egg, milk and fish. A short section of unpacked capillary column coupled to the end of the analytical column was applied to improve the chromatographic behaviors of high boiling point compounds. The method was comprehensively validated with method limit of quantification (mLOQ) lower than 8 pg/g wet weight (w.w.). Samples from Chinese Total Diet study were quantified following the validated APGC-MS/MS method. 2,3,4,5-pentabromo-6-ethylbenzene (PBEB), hexabromobenzene (HBB), pentabromotoluene (PBT) and 1,2-bis(2,4,6-tribromophenoxy)ethane (BTBPE) were most frequently detected in samples. The highest concentration was found in fish with 351.9 pg/g w.w. of PBT. This is the first report on the presence of PBT in food samples with non-ignorable concentrations and detection rate.

  12. [Effects of biochar application on greenhouse gas emission from paddy soil and its physical and chemical properties].

    Science.gov (United States)

    Liu, Yu-xue; Wang, Yao-feng; Lü, Hao-hao; Chen, Yi; Tang, Xu; Wu, Chun-yan; Zhong, Zhe-ke; Yang, Sheng-mao

    2013-08-01

    A field experiment was conducted to investigate the effects of rice straw returning and rice straw biochar and life rubbish biochar application on the greenhouse gas (CH4, CO2 and N2O) emission from paddy soil, its physical and chemical properties, and rice grain yield. Compared with rice straw returning, applying rice straw biochar decreased the cumulative CH4 and N2O emissions from paddy soil significantly by 64.2% - 78.5% and 16.3% - 18.4%, respectively. Whether planting rice or not, the cumulative N2O emission from paddy soil under the applications of rice straw biochar and life rubbish biochar was decreased significantly, compared with that without biochar amendment. Under the condition of no rice planting, applying life rubbish biochar reduced the cumulative CO2 emission significantly by 25.3%. Rice straw biochar was superior to life rubbish biochar in improving soil pH and available potassium content. Both rice straw biochar and life rubbish biochar could increase the soil organic carbon content significantly, but had less effects on the soil bulk density, total nitrogen and available phosphorus contents, cation exchange capacity (CEC), and grain yield. It was suggested that compared with rice straw returning, straw biochar was more effective in improving rice grain yield.

  13. Distribution and chemical fate of ³⁶Cl-chlorine dioxide gas during the fumigation of tomatoes and cantaloupe.

    Science.gov (United States)

    Smith, D J; Ernst, W; Giddings, J M

    2014-12-03

    The distribution and chemical fate of (36)Cl-ClO2 gas subsequent to fumigation of tomatoes or cantaloupe was investigated as were major factors that affect the formation of chloroxyanion byproducts. Approximately 22% of the generated (36)Cl-ClO2 was present on fumigated tomatoes after a 2 h exposure to approximately 5 mg of (36)Cl-ClO2. A water rinse removed 14% of the radiochlorine while tomato homogenate contained ∼63% of the tomato radioactivity; 24% of the radiochlorine was present in the tomato stem scar area. Radioactivity in tomato homogenate consisted of (36)Cl-chloride (≥80%), (36)Cl-chlorate (5 to 19%), and perchlorate (0.5 to 1.4%). In cantaloupe, 55% of the generated (36)Cl-ClO2 was present on melons fumigated with 100 mg of (36)Cl-ClO2 for a 2 h period. Edible cantaloupe flesh contained no detectable radioactive residue (LOQ = 0.3 to 0.4 μg/g); >99.9% of radioactivity associated with cantaloupe was on the inedible rind, with <0.1% associated with the seed bed. Rind radioactivity was present as (36)Cl-chloride (∼86%), chlorate (∼13%), and perchlorate (∼0.6%). Absent from tomatoes and cantaloupe were (36)Cl-chlorite residues. Follow-up studies have shown that chlorate and perchlorate formation can be completely eliminated by protecting fumigation chambers from light sources.

  14. Molecular structure of phthalocyaninatotin(II) studied by gas-phase electron diffraction and high-level quantum chemical calculations.

    Science.gov (United States)

    Strenalyuk, Tatyana; Samdal, Svein; Volden, Hans Vidar

    2008-10-09

    The molecular structure of phthalocyaninatotin(II), Sn(II)Pc, is determined by density functional theory (DFT/B3LYP) calculations using various basis sets and gas-phase electron diffraction (GED). The quantum chemical calculations show that Sn(II)Pc has C4V symmetry, and this symmetry is consistent with the structure obtained by GED at 427 degrees C. GED locates the Sn atom at h(Sn) ) 112.8(48) pm above the plane defined by the four isoindole N atoms, and a N-Sn bond length of 226.0(10) pm is obtained. Calculation at the B3LYP/ccpVTZ/cc-pVTZ-PP(Sn) level of theory gives h(Sn) ) 114.2 pm and a N-Sn bond length of 229.4 pm. The phthalocyanine (Pc) macrocycle has a slightly nonplanar structure. Generally, the GED results are in good agreement with the X-ray structures and with the computed structure; however, the comparability between these three methods has been questioned. The N-Sn bond lengths determined by GED and X-ray are significantly shorter than those from the B3LYP predictions. Similar trends have been found for C-Sn bonds for conjugated organometallic tin compounds. Computed vibrational frequencies give five low frequencies in the range of 18-54 cm-1, which indicates a flexible molecule.

  15. Life-cycle fossil energy consumption and greenhouse gas emissions of bioderived chemicals and their conventional counterparts.

    Science.gov (United States)

    Adom, Felix; Dunn, Jennifer B; Han, Jeongwoo; Sather, Norm

    2014-12-16

    Biomass-derived chemical products may offer reduced environmental impacts compared to their fossil-derived counterparts and could improve profit margins at biorefineries when coproduced with higher-volume, lower-profit margin biofuels. It is important to assess on a life-cycle basis the energy and environmental impacts of these bioproducts as compared to conventional, fossil-derived products. We undertook a life-cycle analysis of eight bioproducts produced from either algal-derived glycerol or corn stover-derived sugars. Selected on the basis of technology readiness and market potential, the bioproducts are propylene glycol, 1,3-propanediol, 3-hydroxypropionic acid, acrylic acid, polyethylene, succinic acid, isobutanol, and 1,4-butanediol. We developed process simulations to obtain energy and material flows in the production of each bioproduct and examined sensitivity of these flows to process design assumptions. Conversion process data for fossil-derived products were based on the literature. Conversion process data were combined with upstream parameters in the Greenhouse gases, Regulated Emissions, and Energy use in Transportation (GREET) model to generate life-cycle greenhouse gas (GHG) emissions and fossil energy consumption (FEC) for each bioproduct and its corresponding petroleum-derived product. The bioproducts uniformly offer GHG emissions reductions compared to their fossil counterparts ranging from 39 to 86% on a cradle-to-grave basis. Similarly, FEC was lower for bioproducts than for conventional products.

  16. Development of fuel-rich combustor of methane-air under high pressure for chemical gas turbine system

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, Tsuyoshi; Kobayashi, Noriyuki; Arai, Norio [Nagoya Univ. (Japan)

    1996-12-31

    A new turbine system, called Chemical gas turbine system, is based on promising developments in fuel-rich combustor with a carbon fiber reinforced carbon composite (C/C composite) being used as the turbine blades. It would improve the thermal efficiency of more than 10% compared to conventional ones. As one of fundamental researches to develop this system, we designed a 4MPa-scale combustor with methane-air. Flammability limit and components of combustion gases were measured between 1.1 and 4.1 MPa in pressure. Temperature distributions of combustion gases were also measured by the thermocouple. Furthermore, simultaneous measurements of the intensity of OH fluorescence and the combustion temperature were made to clarify instant planar-distributions of these quantities under high pressure by a Planar Laser Induced Fluorescence (PLIF) system. Results from these measurements were as follows: (1) Stable combustion could attain between the equivalence ratio 0=0.7 and 1.3 at 4MPa in pressure, (2) Flammability limit extended with increasing the pressure in the fuel-rich region while it was almost constant in the fuel-lean one, (3) There was little effect of the pressure on the components of combustion gases, and (4 )Simultaneous measurements of the instant of OH fluorescence and the combustion temperature could be successfully made by a PLIF system. 2 refs., 7 figs.

  17. Chemical process modelling of Underground Coal Gasification (UCG) and evaluation of produced gas quality for end use

    Science.gov (United States)

    Korre, Anna; Andrianopoulos, Nondas; Durucan, Sevket

    2015-04-01

    Underground Coal Gasification (UCG) is an unconventional method for recovering energy from coal resources through in-situ thermo-chemical conversion to gas. In the core of the UCG lays the coal gasification process which involves the engineered injection of a blend of gasification agents into the coal resource and propagating its gasification. Athough UCG technology has been known for some time and considered a promising method for unconventional fossil fuel resources exploitation, there are limited modelling studies which achieve the necessary accuracy and realistic simulation of the processes involved. This paper uses the existing knowledge for surface gasifiers and investigates process designs which could be adapted to model UCG. Steady state simulations of syngas production were developed using the Advanced System for Process ENgineering (Aspen) Plus software. The Gibbs free energy minimisation method was used to simulate the different chemical reactor blocks which were combined using a FORTRAN code written. This approach facilitated the realistic simulation of the gasification process. A number of model configurations were developed to simulate different subsurface gasifier layouts considered for the exploitation of underground coal seams. The two gasifier layouts considered here are the linked vertical boreholes and the controlled retractable injection point (CRIP) methods. Different stages of the UCG process (i.e. initialisation, intermediate, end-phase) as well as the temperature level of the syngas collection point in each layout were found to be the two most decisive and distinctive parameters during the design of the optimal model configuration for each layout. Sensitivity analyses were conducted to investigate the significance of the operational parameters and the performance indicators used to evaluate the results. The operational parameters considered were the type of reagents injected (i.e. O2, N2, CO2, H2O), the ratio between the injected reagents

  18. Highly sensitive and selective room-temperature NO{sub 2} gas sensor based on bilayer transferred chemical vapor deposited graphene

    Energy Technology Data Exchange (ETDEWEB)

    Seekaew, Yotsarayuth [Department of Physics, Faculty of Science, Kasetsart University, Chatuchak, Bangkok 10900 (Thailand); Phokharatkul, Ditsayut; Wisitsoraat, Anurat [Nanoelectronics and MEMS Laboratory, National Electronics and Computer Technology Center, Klong Luang, Pathumthani 12120 (Thailand); Wongchoosuk, Chatchawal, E-mail: chatchawal.w@ku.ac.th [Department of Physics, Faculty of Science, Kasetsart University, Chatuchak, Bangkok 10900 (Thailand)

    2017-05-15

    Highlights: • Simple and low-cost fabrication of bilayer graphene gas sensor was presented. • Layer effects of graphene on NO{sub 2} gas-sensing properties were investigated. • Bilayer graphene sensor exhibited a high linear NO{sub 2} sensitivity of 1.409 ppm{sup −1}. • The NO{sub 2}-sensing mechanisms based on band diagram were highlighted. - Abstract: This work presents a highly sensitive room-temperature gas sensor based on bilayer graphene fabricated by an interfacial transfer of chemical vapor deposited graphene onto nickel interdigitated electrodes. Scanning electron microscopic and Raman spectroscopic characterizations confirm the presence of graphene on interdigitated nickel electrodes with varying numbers of graphene layers. The NO{sub 2} detection performances of bilayer graphene gas sensor have been investigated in comparison with those of monolayer and multilayer graphene gas sensors at room temperature. From results, the bilayer graphene gas sensor exhibits higher response, sensitivity and selectivity to NO{sub 2} than monolayer and multilayer graphene. The sensitivity of bilayer graphene gas sensor is 1.409 ppm{sup −1} towards NO{sub 2} over a concentration range of 1–25 ppm, which is more than twice higher than that of monolayer graphene. The NO{sub 2}-sensing mechanism of graphene sensing film has been explained based on the direct charge transfer process due to the adsorption of NO{sub 2} molecules.

  19. All-soft, battery-free, and wireless chemical sensing platform based on liquid metal for liquid- and gas-phase VOC detection.

    Science.gov (United States)

    Kim, Min-Gu; Alrowais, Hommood; Kim, Choongsoon; Yeon, Pyungwoo; Ghovanloo, Maysam; Brand, Oliver

    2017-06-27

    Lightweight, flexible, stretchable, and wireless sensing platforms have gained significant attention for personal healthcare and environmental monitoring applications. This paper introduces an all-soft (flexible and stretchable), battery-free, and wireless chemical microsystem using gallium-based liquid metal (eutectic gallium-indium alloy, EGaIn) and poly(dimethylsiloxane) (PDMS), fabricated using an advanced liquid metal thin-line patterning technique based on soft lithography. Considering its flexible, stretchable, and lightweight characteristics, the proposed sensing platform is well suited for wearable sensing applications either on the skin or on clothing. Using the microfluidic sensing platform, detection of liquid-phase and gas-phase volatile organic compounds (VOC) is demonstrated using the same design, which gives an opportunity to have the sensor operate under different working conditions and environments. In the case of liquid-phase chemical sensing, the wireless sensing performance and microfluidic capacitance tunability for different dielectric liquids are evaluated using analytical, numerical, and experimental approaches. In the case of gas-phase chemical sensing, PDMS is used both as a substrate and a sensing material. The gas sensing performance is evaluated and compared to a silicon-based, solid-state gas sensor with a PDMS sensing film.

  20. The effect of H2SO4 - amine clustering on chemical ionization mass spectrometry (CIMS) measurements of gas-phase sulfuric acid

    DEFF Research Database (Denmark)

    Kurten, T.; Petaja, T.; Smith, J.

    2011-01-01

    The state-of-the art method for measuring atmospheric gas-phase sulfuric acid is chemical ionization mass spectrometry (CIMS) based on nitrate reagent ions. We have assessed the possible effect of the sulfuric acid molecules clustering with base molecules on CIMS measurements using computational...... chemistry. From the computational data, three conclusions can be drawn. First, a significant fraction of the gas-phase sulfuric acid molecules are very likely clustered with amines if the amine concentration is around or above a few ppt. Second, some fraction of these acid-amine clusters may not be charged...

  1. Analytical Method for the Detection of Ozone Depleting Chemicals (ODC) in Commercial Products Using a Gas Chromatograph with an Electron Capture Detector (GC-ECD)

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Richard N.; Dockendorff, Brian P.; Wright, Bob W.

    2008-08-01

    This document describes an analytical procedure that was developed for the trace level detection of residual ozone depleting chemicals (ODC) associated with the manufacture of selected commercial products. To ensure the United States meets it obligation under the Montreal Protocol, Congress enacted legislation in 1989 to impose an excise tax on electronic goods imported into the United States that were produced with banned chemicals. This procedure was developed to technically determine if residual ODC chemicals could be detected on electronic circuit boards. The analytical method utilizes a “purge and trap” technique followed by gas chromatography with electron capture detection to capture and analyze the volatile chemicals associated with the matrix. The method describes the procedure, the hardware, operating conditions, calibration, and quality control measures in sufficient detail to allow the capability to be replicated. This document corresponds to internal Standard Operating Procedure (SOP) EFL-130A, Rev 4.

  2. Performance of small-scale aero-derivative industrial gas turbines derived from helicopter engines

    Directory of Open Access Journals (Sweden)

    Barinyima Nkoi

    2013-12-01

    Full Text Available This paper considers comparative assessment of simple and advanced cycle small-scale aero-derivative industrial gas turbines derived from helicopter engines. More particularly, investigation was made of technical performance of the small-scale aero-derivative engine cycles based on existing and projected cycles for applications in industrial power generation, combined heat and power concept, rotating equipment driving, and/or allied processes. The investigation was done by carrying out preliminary design and performance simulation of a simple cycle (baseline two-spool small-scale aero-derivative turboshaft engine model, and some advanced counterpart aero-derivative configurations. The advanced configurations consist of recuperated and intercooled/recuperated engine cycles of same nominal power rating of 1.567 MW. The baseline model was derived from the conversion of an existing helicopter engine model. In doing so, design point and off-design point performances of the engine models were established. In comparing their performances, it was observed that to a large extent, the advanced engine cycles showed superior performance in terms of thermal efficiency, and specific fuel consumption. In numerical terms, thermal efficiencies of recuperated engine cycle, and intercooled/recuperated engine cycles, over the simple cycle at DP increased by 13.5%, and 14.5% respectively, whereas specific fuel consumption of these cycles over simple cycle at DP decreased by 12.5%, and 13% respectively. This research relied on open access public literature for data.

  3. Molecular structures of phthalocyaninatozinc and hexadecafluorophthalocyaninatozinc studied by gas-phase electron diffraction and quantum chemical calculations.

    Science.gov (United States)

    Strenalyuk, Tatyana; Samdal, Svein; Volden, Hans Vidar

    2007-11-29

    The molecular structures of phthalocyaninatozinc (HPc-Zn) and hexadecafluorophthalocyaninatozinc (FPc- Zn) are determined using the gas electron diffraction (GED) method and high-level density functional theory (DFT) quantum chemical calculations. Calculations at the B3LYP/6-311++G** level indicate that the equilibrium structures of HPc-Zn and FPc-Zn have D4h symmetry and yield structural parameters in good agreement with those obtained by GED at 480 and 523 degrees C respectively. The calculated force fields indicate that both molecules are flexible. Normal coordinate calculations on HPc-Zn yield five vibrational frequencies (one degenerate) in the range 22-100 cm(-1), and ten vibrational frequencies ranging from 13 to 100 cm(-1) (three degenerate) for FPc-Zn. The high-level force field calculations confirm most of the previous vibrational assignments, and some new ones are suggested. The out-of-plane vibration of the Zn atom in HPc-Zn was studied in detail optimizing models in which the distance from the Zn atom to the two symmetry equivalent diagonally opposed N atoms (h) was fixed. The calculations indicate that the vibrationally activated vertically displacement of the Zn atom is accompanied by distortion of the ligand from D4h to C2v symmetry. The average height, h, at the temperature of the GED experiment was calculated to be 14.5 pm. Small structural changes indicate that a full F substitution on the benzo-subunits do not significantly alter the geometry, however there are indications that the benzo-subunits may shrink slightly with perfluorination.

  4. Gas chromatography-electron ionization-mass spectrometry analysis of O,O'- dialkyl methylphosphonites for verification analysis of the Chemical Weapons Convention.

    Science.gov (United States)

    Pardasani, Deepak; Tak, Vijay; Purohit, Ajay K; Kanaujia, Pankaj K; Dubey, Devendra K

    2011-01-01

    Gas chromatography-mass spectrometry (GC-MS) analysis of O,O'-dialkyl methylphosphonites (DAMPs) was carried out with a view to developing a database and understanding the mechanism of fragmentation. DAMPs are included in the list of schedule 2B4 chemicals of the Chemical Weapons Convention. GC-MS analysis of DAMPs and their deuterated analogs revealed that their fragmentations were dominated by α-cleavages, alkenyl radical loss and hydrogen rearrangements. Based on fragment ions of deuterated analogs and density functional theory calculations, the fragmentation routes were rationalized.

  5. Morphological analysis of microcellular PP produced in a core-back injection process using chemical blowing agents and gas counter pressure

    OpenAIRE

    Reglero Ruiz, José Antonio; Vincent, Michel; Agassant, Jean-François; Claverie, Aurore; Huck, Sébastien

    2015-01-01

    International audience; A complete experimental analysis of the microcellular injection process using Chemical Blowing Agents (CBA) with Gas Counter Pressure (GCP) and core-back expansion is presented. Three different types of polypropylene, neat and charged, were mixed with two different CBAs and injected into a plate mold with varying process parameters. First, an exhaustive cartographical mapping of the plate morphology is analyzed. In a second step, the relation between injection paramete...

  6. U.S. Army Chemical Corps Historical Studies. Gas Warfare in World War I: Gas Warfare at Belleau Wood, June 1918

    Science.gov (United States)

    1957-06-01

    companies (over 400 men) against the Rouvrols sector occupied by the 9th Infantry at 11$00 porno that same night, 13 April, apparently to gain...is highly probable that until gas is dissipated no infantry attack need be fearedo" The bombardment continued on the 14th when about 4|30 porno the...40 the next morningo Between liOO and 6t00 porno on 18 June^ 100 HE and gas 105s fell in the Bois des Clerembaut8s and between 6r00 and lljOO

  7. Modern sample preparation techniques for gas chromatography-mass spectrometry analysis of environmental markers of chemical warfare agents use

    NARCIS (Netherlands)

    Terzic, O.; de Voogt, P.; Banoub, J.

    2014-01-01

    The chapter introduces problematics of on-site chemical analysis in the investigations of past chemical warfare agents (CWA) events. An overview of primary environmental degradation pathways of CWA leading to formation of chemical markers of their use is given. Conventional and modern sample

  8. TREATMENT OF HYDROCARBON, ORGANIC RESIDUE AND PRODUCTION CHEMICAL DAMAGE MECHANISMS THROUGH THE APPLICATION OF CARBON DIOXIDE IN NATURAL GAS STORAGE WELLS

    Energy Technology Data Exchange (ETDEWEB)

    Lawrence J. Pekot

    2004-06-30

    Two gas storage fields were studied for this project. Overisel field, operated by Consumer's Energy, is located near the town of Holland, Michigan. Huntsman Storage Unit, operated by Kinder Morgan, is located in Cheyenne County, Nebraska near the town of Sidney. Wells in both fields experienced declining performance over several years of their annual injection/production cycle. In both fields, the presence of hydrocarbons, organic materials or production chemicals was suspected as the cause of progressive formation damage leading to the performance decline. Core specimens and several material samples were collected from these two natural gas storage reservoirs. Laboratory studies were performed to characterize the samples that were believed to be representative of a reservoir damage mechanism previously identified as arising from the presence of hydrocarbons, organic residues or production chemicals. A series of laboratory experiments were performed to identify the sample materials, use these materials to damage the flow capacity of the core specimens and then attempt to remove or reduce the induced damage using either carbon dioxide or a mixture of carbon dioxide and other chemicals. Results of the experiments showed that pure carbon dioxide was effective in restoring flow capacity to the core specimens in several different settings. However, in settings involving asphaltines as the damage mechanism, both pure carbon dioxide and mixtures of carbon dioxide and other chemicals provided little effectiveness in damage removal.

  9. TREATMENT OF HYDROCARBON, ORGANIC RESIDUE AND PRODUCTION CHEMICAL DAMAGE MECHANISMS THROUGH THE APPLICATION OF CARBON DIOXIDE IN NATURAL GAS STORAGE WELLS

    Energy Technology Data Exchange (ETDEWEB)

    Lawrence J. Pekot; Ron Himes

    2004-05-31

    Core specimens and several material samples were collected from two natural gas storage reservoirs. Laboratory studies were performed to characterize the samples that were believed to be representative of a reservoir damage mechanism previously identified as arising from the presence of hydrocarbons, organic residues or production chemicals. A series of laboratory experiments were performed to identify the sample materials, use these materials to damage the flow capacity of the core specimens and then attempt to remove or reduce the induced damage using either carbon dioxide or a mixture of carbon dioxide and other chemicals. Results of the experiments showed that pure carbon dioxide was effective in restoring flow capacity to the core specimens in several different settings. However, in settings involving asphaltines as the damage mechanism, both pure carbon dioxide and mixtures of carbon dioxide and other chemicals provided little effectiveness in damage removal.

  10. Research on Acetylene Sensing Properties and Mechanism of SnO2 Based Chemical Gas Sensor Decorated with Sm2O3

    Directory of Open Access Journals (Sweden)

    Qu Zhou

    2015-01-01

    Full Text Available Acetylene C2H2 gas is one of the most important fault characteristic hydrocarbon gases dissolved in oil immersed power transformer oil. This paper reports the successful preparation and characterization of samarium oxide Sm2O3 decorated tin oxide SnO2 based sensors with hierarchical rod structure for C2H2 gas detection. Pure and Sm2O3 decorated SnO2 sensing structures were synthesized by a facile hydrothermal method and characterized by XRD, FESEM, TEM, EDS, and XPS measurements, respectively. Planar chemical gas sensors with the synthesis samples were fabricated, and their sensing performances to C2H2 gas were systematically performed and automatically recorded by a CGS-1 TP intelligent gas sensing analysis system. The optimum operating temperature of the Sm2O3 decorated SnO2 based sensor towards 50 μL/L of C2H2 is 260°C, and its corresponding response value is 38.12, which is 6 times larger than the pure one. Its response time is about 8–10 s and 10–13 s for recovery time. Meanwhile good stability and reproducibility of the decorated sensor to C2H2 gas are also obtained. Furthermore, the proposed sensor exhibits excellent C2H2 selectivity among some potential interface gases, like H2 and CO gas. All sensing results indicate the sensor fabricated with oxide Sm2O3 decorated SnO2 nanorods might be a promising candidate for C2H2 detection in practice.

  11. Preliminary Screening -- Technical and Economic Assessment of Synthesis Gas to Fuels and Chemicals with Emphasis on the Potential for Biomass-Derived Syngas

    Energy Technology Data Exchange (ETDEWEB)

    Spath, P. L.; Dayton, D. C.

    2003-12-01

    In principle, syngas (primarily consisting of CO and H2) can be produced from any hydrocarbon feedstock, including: natural gas, naphtha, residual oil, petroleum coke, coal, and biomass. The lowest cost routes for syngas production, however, are based on natural gas, the cheapest option being remote or stranded reserves. Economic considerations dictate that the current production of liquid fuels from syngas translates into the use of natural gas as the hydrocarbon source. Nevertheless, the syngas production operation in a gas-to-liquids plant amounts to greater than half of the capital cost of the plant. The choice of technology for syngas production also depends on the scale of the synthesis operation. Syngas production from solid fuels can require an even greater capital investment with the addition of feedstock handling and more complex syngas purification operations. The greatest impact on improving the economics of gas-to liquids plants is through (1) decreasing capital costs associated with syngas production and (2) improving the thermal efficiency with better heat integration and utilization. Improved thermal efficiency can be obtained by combining the gas-to-liquids plant with a power generation plant to take advantage of the availability of low-pressure steam. The extensive research and development efforts devoted to syngas conversion to fuels and chemicals are documented in a vast amount of literature that tracks the scientific and technological advancements in syngas chemistry. The purpose of this report is to review the many syngas to products processes and summarize the salient points regarding the technology status and description, chemistry, catalysts, reactors, gas cleanliness requirements, process and environmental performances, and economics. Table 1 lists the products examined in this study and gives some facts about the technology as well as advantages and disadvantages. Table 2 summarizes the catalysts, process conditions, conversions, and

  12. System definition and analysis gas-fired industrial advanced turbine systems

    Energy Technology Data Exchange (ETDEWEB)

    Holloway, G.M.

    1997-05-01

    The objective is to define and analyze an engine system based on the gas fuel Advanced Turbine from Task 3. Using the cycle results of Task 3, a technical effort was started for Task 6 which would establish the definition of the engine flowpath and the key engine component systems. The key engine systems are: gas turbine engine overall flowpath; booster (low pressure compressor); intercooler; high pressure compressor; combustor; high pressure turbine; low pressure turbine and materials; engine system packaging; and power plant configurations. The design objective is to use the GE90 engine as the platform for the GE Industrial Advanced Turbine System. This objective sets the bounds for the engine flowpath and component systems.

  13. Top Value Added Chemicals from Biomass: Volume I -- Results of Screening for Potential Candidates from Sugars and Synthesis Gas

    Energy Technology Data Exchange (ETDEWEB)

    Werpy, T.; Petersen, G.

    2004-08-01

    This report identifies twelve building block chemicals that can be produced from sugars via biological or chemical conversions. The twelve building blocks can be subsequently converted to a number of high-value bio-based chemicals or materials. Building block chemicals, as considered for this analysis, are molecules with multiple functional groups that possess the potential to be transformed into new families of useful molecules. The twelve sugar-based building blocks are 1,4-diacids (succinic, fumaric and malic), 2,5-furan dicarboxylic acid, 3-hydroxy propionic acid, aspartic acid, glucaric acid, glutamic acid, itaconic acid, levulinic acid, 3-hydroxybutyrolactone, glycerol, sorbitol, and xylitol/arabinitol.

  14. Top Value Added Chemicals from Biomass - Volume I, Results of Screening for Potential Candidates from Sugars and Synthesis Gas

    Energy Technology Data Exchange (ETDEWEB)

    None

    2004-08-01

    This report identifies twelve building block chemicals that can be produced from sugars via biological or chemical conversions. The twelve building blocks can be subsequently converted to a number of high-value bio-based chemicals or materials. Building block chemicals, as considered for this analysis, are molecules with multiple functional groups that possess the potential to be transformed into new families of useful molecules. The twelve sugar-based building blocks are 1,4-diacids (succinic, fumaric and malic), 2,5-furan dicarboxylic acid, 3-hydroxy propionic acid, aspartic acid, glucaric acid, glutamic acid, itaconic acid, levulinic acid, 3-hydroxybutyrolactone, glycerol, sorbitol, and xylitol/arabinitol.

  15. Chemical surface treatment with toluene to enhance sensitivity of NO2 gas sensors based on CuPcTs/Alq3 thin films

    Directory of Open Access Journals (Sweden)

    Mahdi H. Suhail

    2017-09-01

    Full Text Available A nitrogen dioxide (NO2 gas sensor based on the blend of copper phthalocyanine-tetrasulfonic acid tetrasodium/tris-(8-hydroxyquinolinealuminum (CuPcTs/Alq3 thin films was fabricated. The effect of chemical surface treatment with toluene on the structural, surface morphology and device sensitivity has been examined. The X-ray diffraction (XRD patterns of as-deposited and toluene-treated films exhibit a broad hump peak at 2θ = 24°. The atomic force microscopy (AFM measurements show that the average particle diameter decreases with immersing time. The needle like shapes can be seen from scanning electron microscopy (SEM images for films treated with toluene for an immersing time of 60 min. Gas sensor characterizations demonstrate that all samples have superior NO2 gas sensitivity at a operating temperature of 373 K. The increase of the sensor sensitivity with increasing chemical treatment time up to 60 min was observed. All films show the stable and repeatable response patterns.

  16. The Chemistry Scoring Index (CSI: A Hazard-Based Scoring and Ranking Tool for Chemicals and Products Used in the Oil and Gas Industry

    Directory of Open Access Journals (Sweden)

    Tim Verslycke

    2014-06-01

    Full Text Available A large portfolio of chemicals and products is needed to meet the wide range of performance requirements of the oil and gas industry. The oil and gas industry is under increased scrutiny from regulators, environmental groups, the public, and other stakeholders for use of their chemicals. In response, industry is increasingly incorporating “greener” products and practices but is struggling to define and quantify what exactly constitutes “green” in the absence of a universally accepted definition. We recently developed the Chemistry Scoring Index (CSI which is ultimately intended to be a globally implementable tool that comprehensively scores and ranks hazards to human health, safety, and the environment for products used in oil and gas operations. CSI scores are assigned to products designed for the same use (e.g., surfactants, catalysts on the basis of product composition as well as intrinsic hazard properties and data availability for each product component. As such, products with a lower CSI score within a product use group are considered to have a lower intrinsic hazard compared to other products within the same use group. The CSI provides a powerful tool to evaluate relative product hazards; to review and assess product portfolios; and to aid in the formulation of products.

  17. Chemical Analysis of a "Miller-Type" Complex Prebiotic Broth. Part II: Gas, Oil, Water and the Oil/Water-Interface

    Science.gov (United States)

    Scherer, Sabrina; Wollrab, Eva; Codutti, Luca; Carlomagno, Teresa; da Costa, Stefan Gomes; Volkmer, Andreas; Bronja, Amela; Schmitz, Oliver J.; Ott, Albrecht

    2017-12-01

    We have analyzed the chemical variety obtained by Miller-Urey-type experiments using nuclear magnetic resonance (NMR) spectroscopy and coherent anti-Stokes Raman scattering (CARS) spectroscopy, gas chromatography followed by mass spectrometry (GC/MS) and two-dimensional gas chromatography followed by mass spectrometry (GCxGC/MS). In the course of a running Miller-Urey-type experiment, a hydrophobic organic layer emerged besides the hydrophilic aqueous phase and the gaseous phase that were initially present. The gas phase mainly consisted of aromatic compounds and molecules containing C≡ C or C≡ N triple bonds. The hydrophilic phase contained at least a few thousands of different molecules, primarily distributed in a range of 50 and 500 Da. The hydrophobic phase is characterized by carbon-rich, oil-like compounds and their amphiphilic derivatives containing oxygen with tensioactive properties. The presence of a wide range of oxidized molecules hints to the availability of oxygen radicals. We suggest that they intervene in the formation of alkylated polyethylene glycol (PEG) in the oil/water interface. CARS spectroscopy revealed distinct vibrational molecular signatures. In particular, characteristic spectral bands for cyanide compounds were observed if the broth was prepared with electric discharges in the gaseous phase. The characteristic spectral bands were absent if discharges were released onto the water surface. NMR spectroscopy on the same set of samples independently confirmed the observation. In addition, NMR spectroscopy revealed overall high chemical variability that suggests strong non-linearities due to interdependent, sequential reaction steps.

  18. Chemical Analysis of a "Miller-Type" Complex Prebiotic Broth : Part II: Gas, Oil, Water and the Oil/Water-Interface.

    Science.gov (United States)

    Scherer, Sabrina; Wollrab, Eva; Codutti, Luca; Carlomagno, Teresa; da Costa, Stefan Gomes; Volkmer, Andreas; Bronja, Amela; Schmitz, Oliver J; Ott, Albrecht

    2017-12-01

    We have analyzed the chemical variety obtained by Miller-Urey-type experiments using nuclear magnetic resonance (NMR) spectroscopy and coherent anti-Stokes Raman scattering (CARS) spectroscopy, gas chromatography followed by mass spectrometry (GC/MS) and two-dimensional gas chromatography followed by mass spectrometry (GCxGC/MS). In the course of a running Miller-Urey-type experiment, a hydrophobic organic layer emerged besides the hydrophilic aqueous phase and the gaseous phase that were initially present. The gas phase mainly consisted of aromatic compounds and molecules containing C≡C or C≡N triple bonds. The hydrophilic phase contained at least a few thousands of different molecules, primarily distributed in a range of 50 and 500 Da. The hydrophobic phase is characterized by carbon-rich, oil-like compounds and their amphiphilic derivatives containing oxygen with tensioactive properties. The presence of a wide range of oxidized molecules hints to the availability of oxygen radicals. We suggest that they intervene in the formation of alkylated polyethylene glycol (PEG) in the oil/water interface. CARS spectroscopy revealed distinct vibrational molecular signatures. In particular, characteristic spectral bands for cyanide compounds were observed if the broth was prepared with electric discharges in the gaseous phase. The characteristic spectral bands were absent if discharges were released onto the water surface. NMR spectroscopy on the same set of samples independently confirmed the observation. In addition, NMR spectroscopy revealed overall high chemical variability that suggests strong non-linearities due to interdependent, sequential reaction steps.

  19. Comparison of Gas Chromatography-Mass Spectrometry and Gas Chromatography-Tandem Mass Spectrometry with Electron Ionization and Negative-Ion Chemical Ionization for Analyses of Pesticides at Trace Levels in Atmospheric Samples

    Science.gov (United States)

    Raina, Renata; Hall, Patricia

    2008-01-01

    A comparison of detection limits of gas chromatography-mass spectrometry (GC-MS) in selected ion monitoring (SIM) with gas chromatography-tandem mass spectrometry (GC-MS/MS) in selected reaction monitoring (SRM) mode with both electron ionization (EI) and negative-ion chemical ionization (NCI) are presented for over 50 pesticides ranging from organochlorines (OCs), organophosphorus pesticides (OPs) and pre-emergent herbicides used in the Canadian prairies (triallate, trifluralin, ethalfluralin). The developed GC-EI/SIM, GC-NCI/SIM, and GC-NCI/SRM are suitable for the determination of pesticides in air sample extracts at concentrations ethion, and OCs: alachlor, aldrin, perthane, and DDE, DDD, DDT). PMID:19609395

  20. Kinetic multi-layer model of gas-particle interactions in aerosols and clouds (KM-GAP: linking condensation, evaporation and chemical reactions of organics, oxidants and water

    Directory of Open Access Journals (Sweden)

    M. Shiraiwa

    2012-03-01

    Full Text Available We present a novel kinetic multi-layer model for gas-particle interactions in aerosols and clouds (KM-GAP that treats explicitly all steps of mass transport and chemical reaction of semi-volatile species partitioning between gas phase, particle surface and particle bulk. KM-GAP is based on the PRA model framework (Pöschl-Rudich-Ammann, 2007, and it includes gas phase diffusion, reversible adsorption, surface reactions, bulk diffusion and reaction, as well as condensation, evaporation and heat transfer. The size change of atmospheric particles and the temporal evolution and spatial profile of the concentration of individual chemical species can be modeled along with gas uptake and accommodation coefficients. Depending on the complexity of the investigated system and the computational constraints, unlimited numbers of semi-volatile species, chemical reactions, and physical processes can be treated, and the model shall help to bridge gaps in the understanding and quantification of multiphase chemistry and microphysics in atmospheric aerosols and clouds.

    In this study we demonstrate how KM-GAP can be used to analyze, interpret and design experimental investigations of changes in particle size and chemical composition in response to condensation, evaporation, and chemical reaction. For the condensational growth of water droplets, our kinetic model results provide a direct link between laboratory observations and molecular dynamic simulations, confirming that the accommodation coefficient of water at ~270 K is close to unity (Winkler et al., 2006. Literature data on the evaporation of dioctyl phthalate as a function of particle size and time can be reproduced, and the model results suggest that changes in the experimental conditions like aerosol particle concentration and chamber geometry may influence the evaporation kinetics and can be optimized for efficient probing of specific physical effects and parameters. With regard to oxidative

  1. LSENS: A General Chemical Kinetics and Sensitivity Analysis Code for homogeneous gas-phase reactions. Part 1: Theory and numerical solution procedures

    Science.gov (United States)

    Radhakrishnan, Krishnan

    1994-01-01

    LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 1 of a series of three reference publications that describe LENS, provide a detailed guide to its usage, and present many example problems. Part 1 derives the governing equations and describes the numerical solution procedures for the types of problems that can be solved. The accuracy and efficiency of LSENS are examined by means of various test problems, and comparisons with other methods and codes are presented. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions.

  2. Assessing the nutritional value of agroindustrial co-products and feed through chemical composition, in vitro digestibility, and gas production technique

    Directory of Open Access Journals (Sweden)

    Paula Martins Olivo

    2017-07-01

    Full Text Available Agroindustrial co-products are a viable alternative for use in animal nutrition. Tests were conducted using eight different types of co-products and feed to evaluate the chemical composition, in vitro digestibility of dry matter, crude protein and neutral detergent fiber, and gas production by them. The co-products tested were: coffee hulls; pelleted citrus pulp; grape residue; soybean hulls; cottonseed; cassava foliage; and foods usually supplied to ruminants: corn silage and ground corn concentrate. Data of in vitro digestibility of dry matter, crude protein and neutral detergent fiber were tested by analysis of variance using the least square method; the results of gas production were interpreted by a non-linear regression by the Gauss-Newton method; and the effects of treatments were evaluated by the Tukey’s test. The coefficients of in vitro digestibility of dry matter, crude protein and neutral detergent fiber of co-products were different. Gas production was also different between co-products and feeds evaluated for the volume of gas produced from the fast and slow degradation fractions, degradation rate, bacterial colonization time, and the total volume of gas produced. The evaluated co-products exhibited greater in vitro dry matter digestibility compared to corn silage, except for cottonseed, grape residue, and cassava foliage. Co-products showed higher values of in vitro crude protein digestibility compared to corn silage, and a reduced in vitro digestibility of neutral detergent fiber, except for pelleted citrus pulp and soybean hulls. Corn silage produced larger volume of gas from the fast degradation fraction compared to the co-products and corn concentrate. Co-products analyzed had appropriate nutritional characteristics according to the techniques applied and can be included in ruminant diets.

  3. Top Value Added Chemicals From Biomass: I. Results of Screening for Potential Candidates from Sugars and Synthesis Gas

    Energy Technology Data Exchange (ETDEWEB)

    Werpy, Todd A.; Holladay, John E.; White, James F.

    2004-11-01

    This report identifies twelve building block chemicals that can be produced from sugars via biological or chemical conversions. The twelve building blocks can be subsequently converted to a number of high-value bio-based chemicals or materials. Building block chemicals, as considered for this analysis, are molecules with multiple functional groups that possess the potential to be transformed into new families of useful molecules. The twelve sugar-based building blocks are 1,4-diacids (succinic, fumaric and malic), 2,5-furan dicarboxylic acid, 3-hydroxy propionic acid, aspartic acid, glucaric acid, glutamic acid, itaconic acid, levulinic acid, 3-hydroxybutyrolactone, glycerol, sorbitol, and xylitol/arabinitol. In addition to building blocks, the report outlines the central technical barriers that are preventing the widespread use of biomass for products and chemicals.

  4. Determination of Chemical Composition, Physical Characteristics and Nutritive Value of Treated Walnut Hull by Neurospora Sitophila through Nylon Bag and Gas Production Methods

    Directory of Open Access Journals (Sweden)

    Maasoomeh Takalloozadeh

    2015-01-01

    Full Text Available In this research, chemical composition, gas production characteristics, effective degradability and nutritive value index (NVI of DM and CP by in situ method of treated walnut hull by Nurospora Sitophila were studied. Three fistulated Kermani ram were used for determination of Walnut hull degradability. Data were analysed using completely randomize design. By processing walnut hull with Neurospora Sitophila, water holding capacity and total content of tannin and phenol decreased significantly, while the insoluble ash increased significantly. Processing had no significant effect on degradability parameters and NVI of dry matter and crude protein. Gas production volume in untreated Walnut hull in times 6, 12 and 24 hours increased significantly with comparison to the treated Walnut hull. Generally, processing of walnut hull with Nurospora Sitophila had no significant effect on nutritive value of this feedstuff.

  5. Application of computational methods to analyse and investigate physical and chemical processes of high-temperature mineralizing of condensed substances in gas stream

    Science.gov (United States)

    Markelov, A. Y.; Shiryaevskii, V. L.; Kudrinskiy, A. A.; Anpilov, S. V.; Bobrakov, A. N.

    2017-11-01

    A computational method of analysis of physical and chemical processes of high-temperature mineralizing of low-level radioactive waste in gas stream in the process of plasma treatment of radioactive waste in shaft furnaces was introduced. It was shown that the thermodynamic simulation method allows fairly adequately describing the changes in the composition of the pyrogas withdrawn from the shaft furnace at different waste treatment regimes. This offers a possibility of developing environmentally and economically viable technologies and small-sized low-cost facilities for plasma treatment of radioactive waste to be applied at currently operating nuclear power plants.

  6. In vitro gas production of five rations of different maize silage and concentrate ratios influenced by increasing levels of chemically characterized extract of Salix babylonica

    OpenAIRE

    ELGHANDOUR, Mona Mohamed Mohamed Yasseen; KHOLIF, Ahmed Eid; BASTIDA, Adrian Zaragoza; MARTÍNEZ, Dora Luz Pinzón; SALEM, Abdelfattah Zeidan Mohamed

    2015-01-01

    This study was carried out to assess the effect of the chemical substances of Salix babylonica (SB) extract on in vitro rumen fermentation of five mixed rations with different maize silage to concentrate ratios. Fifty-nine compounds were identified in SB extract using the retention time and mass spectral technique. Interactive effects were noted (P < 0.001) for the asymptotic gas production (GP) (b), the rate of production (c), the initial delay before GP begins (L), pH, dry matter dig...

  7. Chemical surface treatment with toluene to enhance sensitivity of NO2 gas sensors based on CuPcTs/Alq3 thin films

    OpenAIRE

    Mahdi H. Suhail; Amer A. Ramadan; Shujahadeen B. Aziz; Omed Gh. Abdullah

    2017-01-01

    A nitrogen dioxide (NO2) gas sensor based on the blend of copper phthalocyanine-tetrasulfonic acid tetrasodium/tris-(8-hydroxyquinoline)aluminum (CuPcTs/Alq3) thin films was fabricated. The effect of chemical surface treatment with toluene on the structural, surface morphology and device sensitivity has been examined. The X-ray diffraction (XRD) patterns of as-deposited and toluene-treated films exhibit a broad hump peak at 2θ = 24°. The atomic force microscopy (AFM) measurements show that th...

  8. Gas-chromatographic analysis of the chemical composition of the Venusian atmosphere on the descent modules of the Venera-13 and Venera-14 probes

    Science.gov (United States)

    Mukhin, L. M.; Gelman, B. G.; Lamonov, N. I.; Melnikov, V. V.; Nenarokov, D. F.; Okhotnikov, B. P.; Rotin, V. A.; Khokhlov, V. N.

    1983-03-01

    The Sigma-2 gas-chromatograph developed for the analysis of the chemical composition of the Venusian atmosphere on the Venera 13, 14 descent modules is described, and a block diagram of Sigma-2 is presented. The presence of analysis channels with neon and electron-capture detectors made it possible to duplicate the analysis of several components and to determine the content of oxygen and argon in the atmosphere without chromatographic separation of these components. Volume concentrations (matched to heights of sampling) are presented for H2, O2, Kr, H2O, H2S, COS, and SF6 (N2O).

  9. Comprehensive chemical comparison of fuel composition and aerosol particles emitted from a ship diesel engine by gas chromatography atmospheric pressure chemical ionisation ultra-high resolution mass spectrometry with improved data processing routines.

    Science.gov (United States)

    Rüger, Christopher P; Schwemer, Theo; Sklorz, Martin; O'Connor, Peter B; Barrow, Mark P; Zimmermann, Ralf

    2017-02-01

    The analysis of petrochemical materials and particulate matter originating from combustion sources remains a challenging task for instrumental analytical techniques. A detailed chemical characterisation is essential for addressing health and environmental effects. Sophisticated instrumentation, such as mass spectrometry coupled with chromatographic separation, is capable of a comprehensive characterisation, but needs advanced data processing methods. In this study, we present an improved data processing routine for the mass chromatogram obtained from gas chromatography hyphenated to atmospheric pressure chemical ionisation and ultra high resolution mass spectrometry. The focus of the investigation was the primary combustion aerosol samples, i.e. particulate matter extracts, as well as the corresponding fossil fuels fed to the engine. We demonstrate that utilisation of the entire transient and chromatographic information results in advantages including minimisation of ionisation artefacts and a reliable peak assignment. A comprehensive comparison of the aerosol and the feed fuel was performed by applying intensity weighted average values, compound class distribution and principle component analysis. Certain differences between the aerosol generated with the two feed fuels, diesel fuel and heavy fuel oil, as well as between the aerosol and the feed were revealed. For the aerosol from heavy fuel oil, oxidised species from the CHN and CHS class precursors of the feed were predominant, whereas the CHOx class is predominant in the combustion aerosol from light fuel oil. Furthermore, the complexity of the aerosol increases significantly compared to the feed and incorporating a higher chemical space. Coupling of atmospheric pressure chemical ionisation to gas chromatography was found to be a useful additional approach for characterisation of a combustion aerosol, especially with an automated utilisation of the information from the ultra-high resolution mass spectrometer

  10. GEM-AQ, an on-line global multiscale chemical weather modelling system: model description and evaluation of gas phase chemistry processes

    Science.gov (United States)

    Kaminski, J. W.; Neary, L.; Struzewska, J.; McConnell, J. C.; Lupu, A.; Jarosz, J.; Toyota, K.; Gong, S. L.; Côté, J.; Liu, X.; Chance, K.; Richter, A.

    2008-06-01

    Tropospheric chemistry and air quality processes were implemented on-line in the Global Environmental Multiscale weather prediction model. The integrated model, GEM-AQ, was developed as a platform to investigate chemical weather at scales from global to urban. The current chemical mechanism is comprised of 50 gas-phase species, 116 chemical and 19 photolysis reactions, and is complemented by a sectional aerosol module with 5 aerosols types. All tracers are advected using the semi-Lagrangian scheme native to GEM. The vertical transport includes parameterized subgrid-scale turbulence and large scale deep convection. Dry deposition is included as a flux boundary condition in the vertical diffusion equation. Wet deposition of gas-phase species is treated in a simplified way, and only below-cloud scavenging is considered. The emissions used include yearly-averaged anthropogenic, and monthly-averaged biogenic, ocean, soil, and biomass burning emission fluxes, as well as NOx from lightning. In order to evaluate the ability to simulate seasonal variations and regional distributions of trace gases such as ozone, nitrogen dioxide and carbon monoxide, the model was run for a period of five years (2001 2005) on a global uniform 1.5°×1.5° horizontal resolution domain and 28 hybrid levels extending up to 10 hPa. Model results were compared with observations from satellites, aircraft measurement campaigns and balloon sondes. We find that GEM-AQ is able to capture the spatial details of the chemical fields in the middle and lower troposphere. The modelled ozone consistently shows good agreement with observations, except over tropical oceans. The comparison of carbon monoxide and nitrogen dioxide with satellite measurements emphasizes the need for more accurate, year-specific emissions fluxes for biomass burning and anthropogenic sources. Other species also compare well with available observations.

  11. GEM-AQ, an on-line global multiscale chemical weather modelling system: model description and evaluation of gas phase chemistry processes

    Directory of Open Access Journals (Sweden)

    J. W. Kaminski

    2008-06-01

    Full Text Available Tropospheric chemistry and air quality processes were implemented on-line in the Global Environmental Multiscale weather prediction model. The integrated model, GEM-AQ, was developed as a platform to investigate chemical weather at scales from global to urban. The current chemical mechanism is comprised of 50 gas-phase species, 116 chemical and 19 photolysis reactions, and is complemented by a sectional aerosol module with 5 aerosols types. All tracers are advected using the semi-Lagrangian scheme native to GEM. The vertical transport includes parameterized subgrid-scale turbulence and large scale deep convection. Dry deposition is included as a flux boundary condition in the vertical diffusion equation. Wet deposition of gas-phase species is treated in a simplified way, and only below-cloud scavenging is considered. The emissions used include yearly-averaged anthropogenic, and monthly-averaged biogenic, ocean, soil, and biomass burning emission fluxes, as well as NOx from lightning. In order to evaluate the ability to simulate seasonal variations and regional distributions of trace gases such as ozone, nitrogen dioxide and carbon monoxide, the model was run for a period of five years (2001–2005 on a global uniform 1.5°×1.5° horizontal resolution domain and 28 hybrid levels extending up to 10 hPa. Model results were compared with observations from satellites, aircraft measurement campaigns and balloon sondes. We find that GEM-AQ is able to capture the spatial details of the chemical fields in the middle and lower troposphere. The modelled ozone consistently shows good agreement with observations, except over tropical oceans. The comparison of carbon monoxide and nitrogen dioxide with satellite measurements emphasizes the need for more accurate, year-specific emissions fluxes for biomass burning and anthropogenic sources. Other species also compare well with available observations.

  12. Fragmentation pathways of O-alkyl methylphosphonothionocyanidates in the gas phase: toward unambiguous structural characterization of chemicals in the Chemical Weapons Convention framework.

    Science.gov (United States)

    Saeidian, Hamid; Babri, Mehran; Ashrafi, Davood; Sarabadani, Mansour; Naseri, Mohammad Taghi

    2013-08-01

    The electron-impact (EI) mass spectra of a series of O-alkyl methylphosphonothionocyanidates were studied for Chemical Weapons Convention (CWC) purposes. General EI fragmentation pathways were constructed and discussed, and collision-induced dissociation studies of the major EI ions were performed to confirm proposed fragment structures by analyzing fragment ions of deuterated analogs and by use of density functional theory (DFT) calculations. Thiono-thiolo rearrangement, McLafferty-type rearrangement, and a previously unknown intramolecular electrophilic aromatic substitution reaction were observed and confirmed. The study also focused on differentiation of isomeric compounds. Retention indices for all compounds, and an electrophilicity index for several compounds, are reported and interpreted.

  13. Distillation and isolation of commodity chemicals from Bio-oil made by tail-gas reactive prolysis

    Science.gov (United States)

    Owing to instabilities, very little has been accomplished with regards to simple cost-effective separations of fast-pyrolysis bio-oil. However, recent developments in the use of tail-gas reactive pyrolysis (TGRP) (Mullen and Boateng 2013) provide higher quality bio-oils that are thermally stable. We...

  14. Gas Chromatography Analysis with Olfactometric Detection (GC-O) as a Useful Methodology for Chemical Characterization of Odorous Compounds

    Science.gov (United States)

    Brattoli, Magda; Cisternino, Ezia; Dambruoso, Paolo Rosario; de Gennaro, Gianluigi; Giungato, Pasquale; Mazzone, Antonio; Palmisani, Jolanda; Tutino, Maria

    2013-01-01

    The gas chromatography-olfactometry (GC-O) technique couples traditional gas chromatographic analysis with sensory detection in order to study complex mixtures of odorous substances and to identify odor active compounds. The GC-O technique is already widely used for the evaluation of food aromas and its application in environmental fields is increasing, thus moving the odor emission assessment from the solely olfactometric evaluations to the characterization of the volatile components responsible for odor nuisance. The aim of this paper is to describe the state of the art of gas chromatography-olfactometry methodology, considering the different approaches regarding the operational conditions and the different methods for evaluating the olfactometric detection of odor compounds. The potentials of GC-O are described highlighting the improvements in this methodology relative to other conventional approaches used for odor detection, such as sensoristic, sensorial and the traditional gas chromatographic methods. The paper also provides an examination of the different fields of application of the GC-O, principally related to fragrances and food aromas, odor nuisance produced by anthropic activities and odorous compounds emitted by materials and medical applications. PMID:24316571

  15. Gas Chromatography Analysis with Olfactometric Detection (GC-O as a Useful Methodology for Chemical Characterization of Odorous Compounds

    Directory of Open Access Journals (Sweden)

    Magda Brattoli

    2013-12-01

    Full Text Available The gas chromatography-olfactometry (GC-O technique couples traditional gas chromatographic analysis with sensory detection in order to study complex mixtures of odorous substances and to identify odor active compounds. The GC-O technique is already widely used for the evaluation of food aromas and its application in environmental fields is increasing, thus moving the odor emission assessment from the solely olfactometric evaluations to the characterization of the volatile components responsible for odor nuisance. The aim of this paper is to describe the state of the art of gas chromatography-olfactometry methodology, considering the different approaches regarding the operational conditions and the different methods for evaluating the olfactometric detection of odor compounds. The potentials of GC-O are described highlighting the improvements in this methodology relative to other conventional approaches used for odor detection, such as sensoristic, sensorial and the traditional gas chromatographic methods. The paper also provides an examination of the different fields of application of the GC-O, principally related to fragrances and food aromas, odor nuisance produced by anthropic activities and odorous compounds emitted by materials and medical applications.

  16. Advantages of Atmospheric Pressure Chemical Ionization in Gas Chromatography Tandem Mass Spectrometry: Pyrethroid Insecticides as a Case Study

    NARCIS (Netherlands)

    Portolés, T.; Mol, J.G.J.; Sancho, J.V.; Hernández, F.

    2012-01-01

    Gas chromatography coupled to mass spectrometry (GC/MS) has been extensively applied for determination of volatile, nonpolar, compounds in many applied fields like food safety, environment, or toxicology. The wide majority of methods reported use electron ionization (EI), which may result in

  17. (S)-(-)-N-(pentafluorobenzylcarbamoyl)prolyl chloride: a chiral derivatisation reagent designed for gas chromatography/negative ion chemical ionisation mass spectrometry of amino compounds.

    Science.gov (United States)

    Leis, Hans J; Windischhofer, Werner

    2012-03-30

    The synthesis of a novel chiral derivatisation reagent, (S)-(-)-N-(pentafluorobenzylcarbamoyl)prolyl chloride is described which is preferably useful for negative-ion chemical ionisation mass spectrometry. Preparation of the reagent followed a general strategy used to prepare enantioselective reagents based on the N-substitution of L-proline. Pentafluorobenzyl chloroformate smoothly reacted with L-proline to give the desired derivatisation reagent after conversion into the acyl chloride. The product was sufficiently pure to be used in the following steps without any additional purification. The reagent was tested against selected chiral and non-chiral analytical targets. Chromatographic enantioseparation was at least equal to the commonly used (S)-(-)-N-(heptafluorobutyryl)prolyl derivatives. The derivatives exhibit excellent mass spectral properties under negative ion chemical ionisation, i.e. reduced fragmentation and thus high ion current for the targeted m/z during analysis. With electron ionisation, the fragmentation that occurs is mainly directed by the introduced group. Enantioseparation with gas chromatography/negative-ion chemical ionisation mass spectrometry of the derivatives was demonstrated for the enantiomers of amphetamine, α-aminocaprylic acid methyl ester and threo-methylphenidate. The new derivatisation reagent shows highly improved mass spectral properties for negative-ion chemical ionisation mass spectrometry and is thus suitable for sensitive chiral detection of amino compounds. The reagent extends the applicability of dissociative resonance electron capture using pentafluorobenzyl derivatives to chiral analysis. Copyright © 2012 John Wiley & Sons, Ltd.

  18. Predicting autoignition characteristics of premixed natural gas mixture under lean conditions by using a detailed chemical kinetics model; Kagaku hanno sokudoron wo koryoshita tennen gas kihaku yokongoki no jiko chakka tokusei

    Energy Technology Data Exchange (ETDEWEB)

    Okamoto, T.; Ikeda, T.; Kusaka, J.; Daisho, Y. [Waseda University, Tokyo (Japan)

    1998-10-15

    Study was made on autoignition characteristics of natural gas by using a detailed chemical kinetics model. An engine is being watched which is featured by autoignition by compressing homogeneous lean premixture of air and natural gas as clean alternative fuel. However, because natural gas is composed of major methane, and minor ethane, propane and butane, autoignition is difficult, while rapid pressure rise is predicted at autoignition. Intake temperature rise and compression ratio rise bring autoignition timing forward by rising temperature in a cylinder. The effect of an air excess ratio on ignition timing and autoignition region is small under constant intake pressure and smaller air excess ratios, because of the negation between an effect bringing ignition timing forward by increase in fuel concentration and an effect delaying ignition timing by increase in polyatomic molecules in the premixture. Since combustion starts from n-butane, ignition timing is delayed with an increase in methane ratio. Although the feasibility of compressive ignition combustion using the lean premixture was confirmed, measures against excess pressure rise rates are necessary. 7 refs., 8 figs., 3 tabs.

  19. Energy partitioning in polyatomic chemical reactions: Quantum state resolved studies of highly exothermic atom abstraction reactions from molecules in the gas phase and at the gas-liquid interface

    Science.gov (United States)

    Zolot, Alexander M.

    This thesis recounts a series of experiments that interrogate the dynamics of elementary chemical reactions using quantum state resolved measurements of gas-phase products. The gas-phase reactions F + HCl → HF + Cl and F + H2O → HF + OH are studied using crossed supersonic jets under single collision conditions. Infrared (IR) laser absorption probes HF product with near shot-noise limited sensitivity and high resolution, capable of resolving rovibrational states and Doppler lineshapes. Both reactions yield inverted vibrational populations. For the HCl reaction, strongly bimodal rotational distributions are observed, suggesting microscopic branching of the reaction mechanism. Alternatively, such structure may result from a quantum-resonance mediated reaction similar to those found in the well-characterized F + HD system. For the H2O reaction, a small, but significant, branching into v = 2 is particularly remarkable because this manifold is accessible only via the additional center of mass collision energy in the crossed jets. Rotationally hyperthermal HF is also observed. Ab initio calculations of the transition state geometry suggest mechanisms for both rotational and vibrational excitation. Exothermic chemical reaction dynamics at the gas-liquid interface have been investigated by colliding a supersonic jet of F atoms with liquid squalane (C30H62), a low vapor pressure hydrocarbon compatible with the high vacuum environment. IR spectroscopy provides absolute HF( v,J) product densities and Doppler resolved velocity component distributions perpendicular to the surface normal. Compared to analogous gas-phase F + hydrocarbon reactions, the liquid surface is a more effective "heat sink," yet vibrationally excited populations reveal incomplete thermal accommodation with the surface. Non-Boltzmann J-state populations and hot Doppler lineshapes that broaden with HF excitation indicate two competing scattering mechanisms: (i) a direct reactive scattering channel

  20. Bioelectrochemical Integration of Waste Heat Recovery, Waste-to- Energy Conversion, and Waste-to-Chemical Conversion with Industrial Gas and Chemical Manufacturing Processes

    Energy Technology Data Exchange (ETDEWEB)

    Mac Dougall, James [Air Products and Chemicals, Inc., Allentown, PA (United States)

    2016-02-05

    Many U.S. manufacturing facilities generate unrecovered, low-grade waste heat, and also generate or are located near organic-content waste effluents. Bioelectrochemical systems, such as microbial fuel cells and microbial electrolysis cells, provide a means to convert organic-content effluents into electric power and useful chemical products. A novel biochemical electrical system for industrial manufacturing processes uniquely integrates both waste heat recovery and waste effluent conversion, thereby significantly reducing manufacturing energy requirements. This project will enable the further development of this technology so that it can be applied across a wide variety of US manufacturing segments, including the chemical, food, pharmaceutical, refinery, and pulp and paper industries. It is conservatively estimated that adoption of this technology could provide nearly 40 TBtu/yr of energy, or more than 1% of the U.S. total industrial electricity use, while reducing CO2 emissions by more than 6 million tons per year. Commercialization of this technology will make a significant contribution to DOE’s Industrial Technology Program goals for doubling energy efficiency and providing a more robust and competitive domestic manufacturing base.

  1. Thermodynamic Model of a Very High Efficiency Power Plant based on a Biomass Gasifier, SOFCs, and a Gas Turbine

    Directory of Open Access Journals (Sweden)

    P V Aravind

    2012-07-01

    Full Text Available Thermodynamic calculations with a power plant based on a biomass gasifier, SOFCs and a gas turbine are presented. The SOFC anode off-gas which mainly consists of steam and carbon dioxides used as a gasifying agent leading to an allothermal gasification process for which heat is required. Implementation of heat pipes between the SOFC and the gasifier using two SOFC stacks and intercooling the fuel and the cathode streams in between them has shown to be a solution on one hand to drive the allothermal gasification process and on the other hand to cool down the SOFC. It is seen that this helps to reduce the exergy losses in the system significantly. With such a system, electrical efficiency around 73% is shown as achievable.

  2. Chemical states and photoluminescence of Si0.3Ge0.7-nitride film formed by N2+ gas

    Science.gov (United States)

    Lee, Y. M.; Jang, S. H.; Han, M.; Jung, M.-C.

    2011-09-01

    We investigated chemical states and photoluminescence of Si0.3Ge0.7-nitride film with a surface that was modified by N2+ ion implantation and rapid thermal annealing (RTA). By increasing the implantation time, the chemical bonding between Si and Ge was directly broken, and subnitrides were formed. We also observed the N2 vibration mode peak in the x-ray absorption spectra, but after RTA, this peak disappeared completely. SiNx was transformed to the stable Si3N4. However, GeNx with various chemical states, including Ge3N4 and nanocrystalline Ge, were formed. Photoluminescence observations at room temperature showed strong visible luminescence at wavelengths of 460 and 515 nm.

  3. Effects of Textural Properties on the Response of a SnO2-Based Gas Sensor for the Detection of Chemical Warfare Agents

    Science.gov (United States)

    Lee, Soo Chool; Kim, Seong Yeol; Lee, Woo Suk; Jung, Suk Yong; Hwang, Byung Wook; Ragupathy, Dhanusuraman; Lee, Duk Dong; Lee, Sang Yeon; Kim, Jae Chang

    2011-01-01

    The sensing behavior of SnO2-based thick film gas sensors in a flow system in the presence of a very low concentration (ppb level) of chemical agent simulants such as acetonitrile, dipropylene glycol methyl ether (DPGME), dimethyl methylphosphonate (DMMP), and dichloromethane (DCM) was investigated. Commercial SnO2 [SnO2(C)] and nano-SnO2 prepared by the precipitation method [SnO2(P)] were used to prepare the SnO2 sensor in this study. In the case of DCM and acetonitrile, the SnO2(P) sensor showed higher sensor response as compared with the SnO2(C) sensors. In the case of DMMP and DPGME, however, the SnO2(C) sensor showed higher responses than those of the SnO2(P) sensors. In particular, the response of the SnO2(P) sensor increased as the calcination temperature increased from 400 °C to 800 °C. These results can be explained by the fact that the response of the SnO2-based gas sensor depends on the textural properties of tin oxide and the molecular size of the chemical agent simulant in the detection of the simulant gases (0.1–0.5 ppm). PMID:22163991

  4. [Multiresidue determination of organophosphorus pesticide residues in vegetables and fruit by gas chromatography-negative ion chemical ionization-mass spectrometry].

    Science.gov (United States)

    Lin, Zhuguang; Fan, Yulan; Ma, Yu; Jin, Zhen; Tan, Jun; Chen, Meiyu; Chen, Zhaobin; Tu, Fengzhang; Liu, Yong

    2006-05-01

    An analytical method of gas chromatography coupled with negative ion chemical ionization-mass spectrometry for simultaneous determination of nine organophosphorus pesticide residues in vegetables and fruit has been developed, and the negative ions structure and partition mechanism of the nine organophosphorus pesticides were interpreted. Meanwhile, the matrix effect for sample analysis was discussed, and matrix-matched calibration for quantification was introduced to reduce the matrix effect in this method. Pesticides were extracted from sample with ethyl acetate in an ultrasonic bath, then determined by gas chromatography-mass spectrometry operated in negative chemical ionization mode and quantified in selective ion monitoring mode, and ethion was used as an internal standard. The detection limits of the method were 0.12-1.0 microg/kg for the nine organophosphorus pesticides, and the relative coefficients were higher than 0.9993. A blank sample (tomato) was spiked at 100, 400, 800 microg/kg for each pesticide, and the recoveries were determined to be from 78% to 126% with relative standard deviations from 0.58% to 14.7% for the pesticides.

  5. Optimization of Gas Composition Used in Plasma Chemical Vaporization Machining for Figuring of Reaction-Sintered Silicon Carbide with Low Surface Roughness.

    Science.gov (United States)

    Sun, Rongyan; Yang, Xu; Ohkubo, Yuji; Endo, Katsuyoshi; Yamamura, Kazuya

    2018-02-05

    In recent years, reaction-sintered silicon carbide (RS-SiC) has been of interest in many engineering fields because of its excellent properties, such as its light weight, high rigidity, high heat conductance and low coefficient of thermal expansion. However, RS-SiC is difficult to machine owing to its high hardness and chemical inertness and because it contains multiple components. To overcome the problem of the poor machinability of RS-SiC in conventional machining, the application of atmospheric-pressure plasma chemical vaporization machining (AP-PCVM) to RS-SiC was proposed. As a highly efficient and damage-free figuring technique, AP-PCVM has been widely applied for the figuring of single-component materials, such as Si, SiC, quartz crystal wafers, and so forth. However, it has not been applied to RS-SiC since it is composed of multiple components. In this study, we investigated the AP-PCVM etching characteristics for RS-SiC by optimizing the gas composition. It was found that the different etching rates of the different components led to a large surface roughness. A smooth surface was obtained by applying the optimum gas composition, for which the etching rate of the Si component was equal to that of the SiC component.

  6. Effects of the gas feeding method on the properties of 3C-SiC/Si(111) grown by rapid thermal chemical vapor deposition

    CERN Document Server

    Shim, H W; Suh, E K

    1998-01-01

    High-quality crystalline 3C-SiC thin films are grown by rapid thermal chemical vapor deposition (RTCVD) on Si(111) by using two different growth processes. The films are grown along the [111] direction at 1200 .deg. C. The quality of the films are investigated by X-ray diffraction, transmission electron microscopy, and transmission electron diffraction. The SiC film grown by flowing the tetramethylsilane (TMS) gas before heating the substrate up to the growth temperature does not contain many voids at the SiC/Si interface, while the SiC grown by heating the substrate before supplying the TMS gas possesses many voids at the interface. The unintentionally doped SiC film grown by gas flow before heating the substrate appears to be n-type with a carrier concentration of 1.48 x 10 sup 1 sup 6 cm sup - sup 3 , a electron mobility of 884 cm sup 2 /V centre dot s, and a resistivity of 0.462 OMEGA centre dot cm. The physical properties, such as the electrical properties, the surface morphology, and the crystallinity, ...

  7. Can a fermentation gas mainly produced by rumen Isotrichidae ciliates be a potential source of biohydrogen and a fuel for a chemical fuel cell?

    Science.gov (United States)

    Piela, Piotr; Michałowski, Tadeusz; Miltko, Renata; Szewczyk, Krzysztof; Sikora, Radosław; Grzesiuk, Elzbieta; Sikora, Anna

    2010-07-01

    Bacteria, fungi and protozoa inhabiting the rumen, the largest chamber of the ruminants' stomach, release large quantities of hydrogen during the fermentation of carbohydrates. The hydrogen is used by coexisting methanogens to produce methane in energy-yielding processes. This work shows, for the first time, a fundamental possibility of using a hydrogen-rich fermentation gas produced by selected rumen ciliates to feed a low-temperature hydrogen fuel cell. A biohydrogen fuel cell (BHFC) was constructed consisting of (i) a bioreactor, in which a hydrogen-rich gas was produced from glucose by rumen ciliates, mainly of the Isotrichidae family, deprived of intra- and extracellular bacteria, methanogens, and fungi, and (ii) a chemical fuel cell of the polymer-electrolyte type (PEFC). The fuel cell was used as a tester of the technical applicability of the fermentation gas produced by the rumen ciliates for power generation. The average estimated hydrogen yield was ca. 1.15 mol H2 per mol of fermented glucose. The BHFC performance was equal to the performance of the PEFC running on pure hydrogen. No fuel cell poisoning effects were detected. A maximum power density of 1.66 kW/m2 (PEFC geometric area) was obtained at room temperature. The maximum volumetric power density was 128 W/m3 but the coulombic efficiency was only ca. 3.8%. The configuration of the bioreactor limited the continuous operation time of this BHFC to ca. 14 hours.

  8. "Additive" cooperativity of hydrogen bonds in complexes of catechol with proton acceptors in the gas phase: FTIR spectroscopy and quantum chemical calculations.

    Science.gov (United States)

    Varfolomeev, Mikhail A; Klimovitskii, Alexander E; Abaidullina, Dilyara I; Madzhidov, Timur I; Solomonov, Boris N

    2012-06-01

    Experimental study of hydrogen bond cooperativity in hetero-complexes in the gas phase was carried out by IR-spectroscopy method. Stretching vibration frequencies of O-H groups in phenol and catechol molecules as well as of their complexes with nitriles and ethers were determined in the gas phase using a specially designed cell. O-H groups experimental frequency shifts in the complexes of catechol induced by the formation of intermolecular hydrogen bonds are significantly higher than in the complexes of phenol due to the hydrogen bond cooperativity. It was shown that the cooperativity factors of hydrogen bonds in the complexes of catechol with nitriles and ethers in the gas phase are approximately the same. Quantum chemical calculations of the studied systems have been performed using density functional theory (DFT) methods. It was shown, that theoretically obtained cooperativity factors of hydrogen bonds in the complexes of catechol with proton acceptors are in good agreement with experimental values. Cooperative effects lead to a strengthening of intermolecular hydrogen bonds in the complexes of catechol on about 30%, despite the significant difference in the proton acceptor ability of the bases. The analysis within quantum theory of atoms in molecules was carried out for the explanation of this fact. Copyright © 2012 Elsevier B.V. All rights reserved.

  9. Characterization of microbial and chemical composition of shuttle wet waste with permanent gas and volatile organic compound analyses

    Science.gov (United States)

    Peterson, B. V.; Hummerick, M.; Roberts, M. S.; Krumins, V.; Kish, A. L.; Garland, J. L.; Maxwell, S.; Mills, A.

    2004-01-01

    Solid-waste treatment in space for Advanced Life Support, ALS, applications requires that the material can be safely processed and stored in a confined environment. Many solid-wastes are not stable because they are wet (40-90% moisture) and contain levels of soluble organic compounds that can contribute to the growth of undesirable microorganisms with concomitant production of noxious odors. In the absence of integrated Advanced Life Support systems on orbit, permanent gas, trace volatile organic and microbiological analyses were performed on crew refuse returned from the volume F "wet" trash of three consecutive Shuttle missions (STS-105, 109, and 110). These analyses were designed to characterize the short-term biological stability of the material and assess potential crew risks resulting from microbial decay processes during storage. Waste samples were collected post-orbiter landing and sorted into packaging material, food waste, toilet waste, and bulk liquid fractions deposited during flight in the volume F container. Aerobic and anaerobic microbial loads were determined in each fraction by cultivation on R2A and by acridine orange direct count (AODC). Dry and ash weights were performed to determine both water and organic content of the materials. Experiments to determine the aerobic and anaerobic biostability of refuse stored for varying periods of time were performed by on-line monitoring of CO 2 and laboratory analysis for production of hydrogen sulfide and methane. Volatile organic compounds and permanent gases were analyzed using EPA Method TO15 by USEPA et al. [EPA Method TO15, The Determination of Volatile Organic Compounds (VOCs) in Ambient Air using SUMMA, Passivated Canister Sampling and Gas Chromatographic Analysis, 1999] with gas chromatography/mass spectrometry and by gas chromatography with selective detectors. These baseline measures of waste stream content, labile organics, and microbial load in the volume F Shuttle trash provide data for waste

  10. Modelling the reversible uptake of chemical species in the gas phase by ice particles formed in a convective cloud

    Directory of Open Access Journals (Sweden)

    V. Marécal

    2010-05-01

    Full Text Available The present paper is a preliminary study preparing the introduction of reversible trace gas uptake by ice particles into a 3-D cloud resolving model. For this a 3-D simulation of a tropical deep convection cloud was run with the BRAMS cloud resolving model using a two-moment bulk microphysical parameterization. Trajectories within the convective clouds were computed from these simulation outputs along which the variations of the pristine ice, snow and aggregate mixing ratios and concentrations were extracted. The reversible uptake of 11 trace gases by ice was examined assuming applicability of Langmuir isotherms using recently evaluated (IUPAC laboratory data. The results show that ice uptake is only significant for HNO3, HCl, CH3COOH and HCOOH. For H2O2, using new results for the partition coefficient results in significant partitioning to the ice phase for this trace gas also. It was also shown that the uptake is largely dependent on the temperature for some species. The adsorption saturation at the ice surface for large gas mixing ratios is generally not a limiting factor except for HNO3 and HCl for gas mixing ratio greater than 1 ppbv. For HNO3, results were also obtained using a trapping theory, resulting in a similar order of magnitude of uptake, although the two approaches are based on different assumptions. The results were compared to those obtained using a BRAMS cloud simulation based on a single-moment microphysical scheme instead of the two moment scheme. We found similar results with a slightly more important uptake when using the single-moment scheme which is related to slightly higher ice mixing ratios in this simulation. The way to introduce these results in the 3-D cloud model is discussed.

  11. Characterization of microbial and chemical composition of shuttle wet waste with permanent gas and volatile organic compound analyses

    Science.gov (United States)

    Peterson, B. V.; Hummerick, M.; Roberts, M. S.; Krumins, V.; Kish, A. L.; Garland, J. L.; Maxwell, S.; Mills, A.

    2004-01-01

    Solid-waste treatment in space for Advanced Life Support, ALS, applications requires that the material can be safely processed and stored in a confined environment. Many solid-wastes are not stable because they are wet (40-90% moisture) and contain levels of soluble organic compounds that can contribute to the growth of undesirable microorganisms with concomitant production of noxious odors. In the absence of integrated Advanced Life Support systems on orbit, permanent gas, trace volatile organic and microbiological analyses were performed on crew refuse returned from the volume F "wet" trash of three consecutive Shuttle missions (STS-105, 109, and 110). These analyses were designed to characterize the short-term biological stability of the material and assess potential crew risks resulting from microbial decay processes during storage. Waste samples were collected post-orbiter landing and sorted into packaging material, food waste, toilet waste, and bulk liquid fractions deposited during flight in the volume F container. Aerobic and anaerobic microbial loads were determined in each fraction by cultivation on R2A and by acridine orange direct count (AODC). Dry and ash weights were performed to determine both water and organic content of the materials. Experiments to determine the aerobic and anaerobic biostability of refuse stored for varying periods of time were performed by on-line monitoring of CO2 and laboratory analysis for production of hydrogen sulfide and methane. Volatile organic compounds and permanent gases were analyzed using EPA Method TO15 by USEPA et al. [EPA Method TO15, The Determination of Volatile Organic Compounds (VOCs) in Ambient Air using SUMMA, Passivated Canister Sampling and Gas Chromatographic Analysis,1999] with gas chromatography/mass spectrometry and by gas chromatography with selective detectors. These baseline measures of waste stream content, labile organics, and microbial load in the volume F Shuttle trash provide data for waste

  12. Comparative analysis of physico-chemical and gas sensing characteristics of two different forms of SnO{sub 2} films

    Energy Technology Data Exchange (ETDEWEB)

    Kwoka, M., E-mail: Monika.Kwoka@polsl.pl [Institute of Electronics, Silesian University of Technology, 44-100 Gliwice (Poland); Ottaviano, L. [CNR- SPIN & Department of Physics and Chemical Sciences, University of L’Aquila, 67100 (Italy); Szuber, J. [Institute of Electronics, Silesian University of Technology, 44-100 Gliwice (Poland)

    2017-04-15

    Highlights: • Two different forms of SnO{sub 2} deposited on Si substrate. • Crystallinity and surface/subsurface morphology controlled by XRD, SEM and AFM. • Surface/subsurface chemistry including stoichiometry and contaminations derived from XPS. • Comparative analysis of gas sensor characteristics of SnO{sub 2} in NO{sub 2} atmosphere. • Correlations between physico-chemical properties and gas sensor characteristics. - Abstract: In this paper the results of studies of comparative studies on the crystallinity, morphology and chemistry combined with the gas sensor response of two different forms of tin dioxide (SnO{sub 2}) films prepared by the Rheotaxial Growth and Thermal Oxidation (RGTO) and by the Laser-enhanced Chemical Vapour Deposition (L-CVD) methods, respectively, are presented. For this purpose the X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Atomic Force Microscopy (AFM) and X-ray Photoelectron spectroscopy (XPS) have been used. XRD studies for both samples show the contribution from the crystalline SnO{sub 2} in the cassiterite rutile phase without any evident contribution from the tin oxide (SnO) phase. SEM and AFM studies show that the surface morphology of RGTO and L-CVD SnO{sub 2} samples are characterized by grains/nanograins of different size and surface roughness. In turn XPS studies confirm that for both SnO{sub 2} samples a slight nonstoichiometry with a relative [O]/[Sn] concentration of 1.8, and slightly different amount of C contamination at the surface of internal grains with relative [C]/[Sn] concentration of 3.5 and 3.2, respectively. This undesired C contamination cannot be ignored because it creates an uncontrolled barrier for the potential gas adsorption at the internal surface of sensor material. This is confirmed by the gas sensor response in NO{sub 2} atmosphere of both SnO{sub 2} samples because the sensitivity is evidently smaller for RGTO SnO{sub 2} with respect to the L-CVD SnO{sub 2} samples, whereas

  13. PRESSURIZED SOLID OXIDE FUEL CELL/GAS TURBINE POWER SYSTEM

    Energy Technology Data Exchange (ETDEWEB)

    W.L. Lundberg; G.A. Israelson; R.R. Moritz(Rolls-Royce Allison); S.E. Veyo; R.A. Holmes; P.R. Zafred; J.E. King; R.E. Kothmann (Consultant)

    2000-02-01

    Power systems based on the simplest direct integration of a pressurized solid oxide fuel cell (SOFC) generator and a gas turbine (GT) are capable of converting natural gas fuel energy to electric power with efficiencies of approximately 60% (net AC/LHV), and more complex SOFC and gas turbine arrangements can be devised for achieving even higher efficiencies. The results of a project are discussed that focused on the development of a conceptual design for a pressurized SOFC/GT power system that was intended to generate 20 MWe with at least 70% efficiency. The power system operates baseloaded in a distributed-generation application. To achieve high efficiency, the system integrates an intercooled, recuperated, reheated gas turbine with two SOFC generator stages--one operating at high pressure, and generating power, as well as providing all heat needed by the high-pressure turbine, while the second SOFC generator operates at a lower pressure, generates power, and provides all heat for the low-pressure reheat turbine. The system cycle is described, major system components are sized, the system installed-cost is estimated, and the physical arrangement of system components is discussed. Estimates of system power output, efficiency, and emissions at the design point are also presented, and the system cost of electricity estimate is developed.

  14. Performance assessment of simple and modified cycle turboshaft gas turbines

    Directory of Open Access Journals (Sweden)

    Barinyima Nkoi

    2013-06-01

    Full Text Available This paper focuses on investigations encompassing comparative assessment of gas turbine cycle options. More specifically, investigation was carried out of technical performance of turboshaft engine cycles based on existing simple cycle (SC and its projected modified cycles for civil helicopter application. Technically, thermal efficiency, specific fuel consumption, and power output are of paramount importance to the overall performance of gas turbine engines. In course of carrying out this research, turbomatch software established at Cranfield University based on gas turbine theory was applied to conduct simulation of a simple cycle (baseline two-spool helicopter turboshaft engine model with free power turbine. Similarly, some modified gas turbine cycle configurations incorporating unconventional components, such as engine cycle with low pressure compressor (LPC zero-staged, recuperated engine cycle, and intercooled/recuperated (ICR engine cycle, were also simulated. In doing so, design point (DP and off-design point (OD performances of the engine models were established. The percentage changes in performance parameters of the modified cycle engines over the simple cycle were evaluated and it was found that to a large extent, the modified engine cycles with unconventional components exhibit better performances in terms of thermal efficiency and specific fuel consumption than the traditional simple cycle engine. This research made use of public domain open source references.

  15. Top Value Added Chemicals From Biomass. Volume 1 - Results of Screening for Potential Candidates From Sugars and Synthesis Gas

    Science.gov (United States)

    2004-08-01

    detergents, pharmaceuticals, suntan lotion, medical- dental products, disinfectants , aspirin Iso-synthesis products Fischer-Tropsch Liquids C3 C4 Aspartic...propionol, acrylate Pharma. Intermediates Polyvinyl acetate Polyvinyl alcohol Specialty chemical intermediate Polyethers Polypyrrolidones Resins ...via catalytic dehydrogenation ....... 14 Table 7 Dehydrative Transformation – 3-HPA to acrylic acid via catalytic dehydration .... 14 Table 8 Pathways

  16. Understanding Chemical Equilibrium: The Role of Gas Phases and Mixing Contributions in the Minimum of Free Energy Plots

    Science.gov (United States)

    Tomba, J. Pablo

    2017-01-01

    The use of free energy plots to understand the concept of thermodynamic equilibrium has been shown to be of great pedagogical value in materials science. Although chemical equilibrium is also amenable to this kind of analysis, it is not part of the agenda of materials science textbooks. Something similar is found in chemistry branches, where free…

  17. LSENS, A General Chemical Kinetics and Sensitivity Analysis Code for Homogeneous Gas-Phase Reactions. Part 2; Code Description and Usage

    Science.gov (United States)

    Radhakrishnan, Krishnan; Bittker, David A.

    1994-01-01

    LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part II of a series of three reference publications that describe LSENS, provide a detailed guide to its usage, and present many example problems. Part II describes the code, how to modify it, and its usage, including preparation of the problem data file required to execute LSENS. Code usage is illustrated by several example problems, which further explain preparation of the problem data file and show how to obtain desired accuracy in the computed results. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions. Part I (NASA RP-1328) derives the governing equations and describes the numerical solution procedures for the types of problems that can be solved by LSENS. Part III (NASA RP-1330) explains the kinetics and kinetics-plus-sensitivity-analysis problems supplied with LSENS and presents sample results.

  18. Impurity profiling of a chemical weapon precursor for possible forensic signatures by comprehensive two-dimensional gas chromatography/mass spectrometry and chemometrics.

    Science.gov (United States)

    Hoggard, Jamin C; Wahl, Jon H; Synovec, Robert E; Mong, Gary M; Fraga, Carlos G

    2010-01-15

    In this report we present the feasibility of using analytical and chemometric methodologies to reveal and exploit the chemical impurity profiles from commercial dimethyl methylphosphonate (DMMP) samples to illustrate the type of forensic information that may be obtained from chemical-attack evidence. Using DMMP as a model compound of a toxicant that may be used in a chemical attack, we used comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry (GC x GC/TOF-MS) to detect and identify trace organic impurities in six samples of commercially acquired DMMP. The GC x GC/TOF-MS data was analyzed to produce impurity profiles for all six DMMP samples using 29 analyte impurities. The use of PARAFAC for the mathematical resolution of overlapped GC x GC peaks ensured clean spectra for the identification of many of the detected analytes by spectral library matching. The use of statistical pairwise comparison revealed that there were trace impurities that were quantitatively similar and different among five of the six DMMP samples. Two of the DMMP samples were revealed to have identical impurity profiles by this approach. The use of nonnegative matrix factorization indicated that there were five distinct DMMP sample types as illustrated by the clustering of the multiple DMMP analyses into five distinct clusters in the scores plots. The two indistinguishable DMMP samples were confirmed by their chemical supplier to be from the same bulk source. Sample information from the other chemical suppliers supported the idea that the other four DMMP samples were likely from different bulk sources. These results demonstrate that the matching of synthesized products from the same source is possible using impurity profiling. In addition, the identified impurities common to all six DMMP samples provide strong evidence that basic route information can be obtained from impurity profiles. Finally, impurities that may be unique to the sole bulk manufacturer of DMMP were

  19. Human exposure to unconventional natural gas development: A public health demonstration of periodic high exposure to chemical mixtures in ambient air.

    Science.gov (United States)

    Brown, David R; Lewis, Celia; Weinberger, Beth I

    2015-01-01

    Directional drilling and hydraulic fracturing of shale gas and oil bring industrial activity into close proximity to residences, schools, daycare centers and places where people spend their time. Multiple gas production sources can be sited near residences. Health care providers evaluating patient health need to know the chemicals present, the emissions from different sites and the intensity and frequency of the exposures. This research describes a hypothetical case study designed to provide a basic model that demonstrates the direct effect of weather on exposure patterns of particulate matter smaller than 2.5 microns (PM2.5) and volatile organic chemicals (VOCs). Because emissions from unconventional natural gas development (UNGD) sites are variable, a short term exposure profile is proposed that determines 6-hour assessments of emissions estimates, a time scale needed to assist physicians in the evaluation of individual exposures. The hypothetical case is based on observed conditions in shale gas development in Washington County, Pennsylvania, and on estimated emissions from facilities during gas development and production. An air exposure screening model was applied to determine the ambient concentration of VOCs and PM2.5 at different 6-hour periods of the day and night. Hourly wind speed, wind direction and cloud cover data from Pittsburgh International Airport were used to calculate the expected exposures. Fourteen months of daily observations were modeled. Higher than yearly average source terms were used to predict health impacts at periods when emissions are high. The frequency and intensity of exposures to PM2.5 and VOCs at a residence surrounded by three UNGD facilities was determined. The findings show that peak PM2.5 and VOC exposures occurred 83 times over the course of 14 months of well development. Among the stages of well development, the drilling, flaring and finishing, and gas production stages produced higher intensity exposures than the

  20. Conformational properties of 1-cyano-1-silacyclohexane, C5H10SiHCN: Gas electron diffraction, low-temperature NMR and quantum chemical calculations

    Science.gov (United States)

    Belyakov, Alexander V.; Sigolaev, Yrii F.; Shlykov, Sergey A.; Wallevik, Sunna Ó.; Jonsdottir, Nanna R.; Jonsdottir, Sigridur; Kvaran, Ágúst; Bjornsson, Ragnar; Arnason, Ingvar

    2017-03-01

    The conformational preference of the cyano group of the 1-cyano-1-silacyclohexane was studied experimentally by means of gas electron diffraction (GED) and dynamic nuclear magnetic resonance (DNMR) as well as by quantum chemical (QC) calculations applying high-level coupled cluster methods as well as DFT methods. According to the GED experiment, the compound exists in the gas-phase as a mixture of two conformers possessing the chair conformation of the six-membered ring and Cs symmetry while differing in the axial or equatorial position of the substituent (axial = 84(12) mol %/equatorial = 16(12) mol %) at T = 279(3) K, corresponding to an A value (Gax - Geq) of -1.0(4) kcal mol-1. Gas-phase CCSD(T) calculations predict an A value of -0.72 kcal mol-1 at 279 K. In contrast, the low-temperature 13C NMR experiments resulted in an axial/equatorial ratio of 35/65 mol % at 120 K corresponding to an A value of 0.14 kcal mol-1. An average value for ΔG#e→a = 5.6 ± 0.1 kcal mol-1 was obtained for the temperature range 110-145 K. The dramatically different conformational behaviour in the gas-phase (GED) compared to the liquid phase (DNMR) suggests a strong solvation effect. According to natural bond orbital analysis the axial conformer of the title compound is an example of stabilization of a form, which is not favored by electrostatic effects and is favored predominantly by steric and conjugation effects.

  1. Gas-Grain Chemical Models: Inclusion of a Grain Size Distribution and a Study Of Young Stellar Objects in the Magellanic Clouds

    Science.gov (United States)

    Pauly, Tyler Andrew

    2017-06-01

    Computational models of interstellar gas-grain chemistry have aided in our understanding of star-forming regions. Chemical kinetics models rely on a network of chemical reactions and a set of physical conditions in which atomic and molecular species are allowed to form and react. We replace the canonical single grain-size in our chemical model MAGICKAL with a grain size distribution and analyze the effects on the chemical composition of the gas and grain surface in quiescent and collapsing dark cloud models. We find that a grain size distribution coupled with a temperature distribution across grain sizes can significantly affect the bulk ice composition when dust temperatures fall near critical values related to the surface binding energies of common interstellar chemical species. We then apply the updated model to a study of ice formation in the cold envelopes surrounding massive young stellar objects in the Magellanic Clouds. The Magellanic Clouds are local satellite galaxies of the Milky Way, and they provide nearby environments to study star formation at low metallicity. We expand the model calculation of dust temperature to include a treatment for increased interstellar radiation field intensity; we vary the radiation field to model the elevated dust temperatures observed in the Magellanic Clouds. We also adjust the initial elemental abundances used in the model, guided by observations of Magellanic Cloud HII regions. We are able to reproduce the relative ice fractions observed, indicating that metal depletion and elevated grain temperature are important drivers of the envelope ice composition. The observed shortfall in CO in Small Magellanic Cloud sources can be explained by a combination of reduced carbon abundance and increased grain temperatures. The models indicate that a large variation in radiation field strength is required to match the range of observed LMC abundances. CH 3OH abundance is found to be enhanced (relative to total carbon abundance) in

  2. Chemical recycling of carbon dioxide to methanol and dimethyl ether: from greenhouse gas to renewable, environmentally carbon neutral fuels and synthetic hydrocarbons.

    Science.gov (United States)

    Olah, George A; Goeppert, Alain; Prakash, G K Surya

    2009-01-16

    Nature's photosynthesis uses the sun's energy with chlorophyll in plants as a catalyst to recycle carbon dioxide and water into new plant life. Only given sufficient geological time can new fossil fuels be formed naturally. In contrast, chemical recycling of carbon dioxide from natural and industrial sources as well as varied human activities or even from the air itself to methanol or dimethyl ether (DME) and their varied products can be achieved via its capture and subsequent reductive hydrogenative conversion. The present Perspective reviews this new approach and our research in the field over the last 15 years. Carbon recycling represents a significant aspect of our proposed Methanol Economy. Any available energy source (alternative energies such as solar, wind, geothermal, and atomic energy) can be used for the production of needed hydrogen and chemical conversion of CO(2). Improved new methods for the efficient reductive conversion of CO(2) to methanol and/or DME that we have developed include bireforming with methane and ways of catalytic or electrochemical conversions. Liquid methanol is preferable to highly volatile and potentially explosive hydrogen for energy storage and transportation. Together with the derived DME, they are excellent transportation fuels for internal combustion engines (ICE) and fuel cells as well as convenient starting materials for synthetic hydrocarbons and their varied products. Carbon dioxide thus can be chemically transformed from a detrimental greenhouse gas causing global warming into a valuable, renewable and inexhaustible carbon source of the future allowing environmentally neutral use of carbon fuels and derived hydrocarbon products.

  3. Numerical prediction of the chemical composition of gas products at biomass combustion and co-combustion in a domestic boiler

    OpenAIRE

    Radomiak Henryk; Bala-Litwiniak Agnieszka; Zajemska Monika; Musiał Dorota

    2017-01-01

    In recent years the numerical modelling of biomass combustion has been successfully applied to determine the combustion mechanism and predict its products. In this study the influence of the addition of waste glycerin in biomass wood pellets on the chemical composition of exhaust gases has been investigated. The pellets have been prepared from spruceand pine wood sawdust without and with addition of waste glycerin. The waste glycerol is a undesirable by-product of biodiesel transesterificatio...

  4. Extraction and Chemical Compounds Identification of Red Rice Bran Oil Using Gas Chromatography – Mass Spectrometry (GC-MS Method

    Directory of Open Access Journals (Sweden)

    Hoo Sheren Hartono

    2017-09-01

    Full Text Available The objectives of the study are to obtain optimum yield of extraction red rice bran oil, todetermine the physico-chemical characteristics, and componen coumpounds. Data was analyzedusing Nir Parametric Statistics by Friedmann test. The result showed the optimum extractionresults was obtained by the ratio of substrate : solvent of 1: 8 and the oil yield was 12.31 ±0.325%. The physico properties of red rice bran oil were greenish brown colour, with a densityranged from 0.908 ± 0.014 to 0.922 ± 0.014 (g/mL, and the water content ranged from 0.87 ± 0.06to 0.91 ± 0.02 %. The chemical properties of red rice bran oil were: the acid number ranged from116.41 ± 1.22 to 118.11 ± 2.45 (mg NaOH/g; the saponification number ranged from 193.74 ±21.88 to 199.62 ± 12.63 (mg KOH/g; and the peroxide number ranged from 24.37 ± 2.44 to 26.07± 4.88 (mgek/kg, respectively. Oils was analyzed used GC-MS. The chemical components of ricebran oil are oleic acid (46.24%, palmitic acid (18.25%, linoleic acid (13.29%, 9-octadecane(7.76%.

  5. Integration of Gas Enhanced Oil Recovery in Multiphase Fermentations for the Microbial Production of Fuels and Chemicals.

    Science.gov (United States)

    Pedraza-de la Cuesta, Susana; Keijzers, Lore; van der Wielen, Luuk A M; Cuellar, Maria C

    2018-01-18

    In multiphase fermentations where the product forms a second liquid phase or where solvents are added for product extraction, turbulent conditions disperse the oil phase as droplets. Surface-active components (SACs) present in the fermentation broth can stabilize the product droplets thus forming an emulsion. Breaking this emulsion increases process complexity and consequently the production cost. In previous works, it has been proposed to promote demulsification of oil/supernatant emulsions in an off-line batch bubble column operating at low gas flow rate. The aim of this study is to test the performance of this recovery method integrated to a fermentation, allowing for continuous removal of the oil phase. A 500 mL bubble column is successfully integrated with a 2 L reactor during 24 h without affecting cell growth or cell viability. However, higher levels of surfactants and emulsion stability are measured in the integrated system compared to a base case, reducing its capacity for oil recovery. This is related to release of SACs due to cellular stress when circulating through the recovery column. Therefore, it is concluded that the gas bubble-induced oil recovery method allows for oil separation and cell recycling without compromising fermentation performance; however, tuning of the column parameters considering increased levels of SACs due to cellular stress is required for improving oil recovery. © 2018 The Authors. Biotechnology Journal Published by Wiley-VCHVerlag GmbH & Co. KGaA, Weinheim.

  6. Optical Fiber Chemical Sensor with Sol-Gel Derived Refractive Material as Transducer for High Temperature Gas Sensing in Clean Coal Technology

    Energy Technology Data Exchange (ETDEWEB)

    Shiquan Tao

    2006-12-31

    The chemistry of sol-gel derived silica and refractive metal oxide has been systematically studied. Sol-gel processes have been developed for preparing porous silica and semiconductor metal oxide materials. Micelle/reversed micelle techniques have been developed for preparing nanometer sized semiconductor metal oxides and noble metal particles. Techniques for doping metal ions, metal oxides and nanosized metal particles into porous sol-gel material have also been developed. Optical properties of sol-gel derived materials in ambient and high temperature gases have been studied by using fiber optic spectroscopic techniques, such as fiber optic ultraviolet/visible absorption spectrometry, fiber optic near infrared absorption spectrometry and fiber optic fluorescence spectrometry. Fiber optic spectrometric techniques have been developed for investigating the optical properties of these sol-gel derived materials prepared as porous optical fibers or as coatings on the surface of silica optical fibers. Optical and electron microscopic techniques have been used to observe the microstructure, such as pore size, pore shape, sensing agent distribution, of sol-gel derived material, as well as the size and morphology of nanometer metal particle doped in sol-gel derived porous silica, the nature of coating of sol-gel derived materials on silica optical fiber surface. In addition, the chemical reactions of metal ion, nanostructured semiconductor metal oxides and nanometer sized metal particles with gas components at room temperature and high temperatures have also been investigated with fiber optic spectrometric methods. Three classes of fiber optic sensors have been developed based on the thorough investigation of sol-gel chemistry and sol-gel derived materials. The first group of fiber optic sensors uses porous silica optical fibers doped with metal ions or metal oxide as transducers for sensing trace NH{sub 3} and H{sub 2}S in high temperature gas samples. The second group of

  7. Analysis of the chemical composition of the essential oils extracted from Lippia lacunosa Mart. and Schauer and Lippia rotundifolia Cham. (Verbenaceae) by gas chromatography and gas chromatography-mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Leitao, Suzana G.; Barbosa, Ymira Galico [Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, RJ (Brazil). Fac. de Farmacia; Oliveira, Danilo R. de; Leitao, Gilda G. [Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, RJ (Brazil). Nucleo de Pesquisas de Produtos Naturais]. E-mail: sgleitao@pharma.ufrj.br; Suelsen, Valeria; Martino, Virginia [Universidad de Buenos Aires (Argentina). Facultad de Farmacia y Bioquimica; Bizzo, Humberto R.; Lopes, Daise [EMBRAPA Agroindustria de Alimentos, Rio de Janeiro, RJ (Brazil); Viccini, Lyderson F.; Salimena, Fatima R.G.; Peixoto, Paulo H.P. [Universidade Federal de Juiz de Fora (UFJF), Juiz de Fora, MG (Brazil). Inst. de Ciencias Biolgicas

    2008-07-01

    Lippia lacunosa and L. rotundifolia (Verbenaceae) are two Brazilian species of complex taxonomic delimitation. The composition of the essential oils from leaves and flowers of these plants was investigated by gas chromatography (GC) and gas chromatography coupled with mass spectrometry (GC-MS) analysis. The major components of the essential oils of flowers and leaves of L. lacunosa were: myrcene (14.7% and 11.9%), myrcenone (45.2% and 64.2%), Z-ocimenone (5.7% and 5.2%), and E-ocimenone (14.7% and 4.1%), respectively; whereas in L. rotundifolia (flowers and leaves) were ..-pinene (8.7% and 1.8%), myrcene (5.1% and 3.6%), limonene (26.0% and 7.9 %), cis-pinocamphone (4.5% and 3.1%) and myrtenal (22.3% and 16.7%), respectively. The essential oils from L. lacunosa exhibited a strong and pleasant mango aroma, which was related to the presence of myrcene and myrcenone. The marked differences in the chemical composition of their essential oils may represent a powerful tool for the botanical classification. (author)

  8. Comparison of Gas Chromatography-Mass Spectrometry and Gas Chromatography-Tandem Mass Spectrometry with Electron Ionization and Negative-Ion Chemical Ionization for Analyses of Pesticides at Trace Levels in Atmospheric Samples

    Directory of Open Access Journals (Sweden)

    Renata Raina

    2008-01-01

    Full Text Available A comparison of detection limits of gas chromatography-mass spectrometry (GC-MS in selected ion monitoring (SIM with gas chromatography-tandem mass spectrometry (GC-MS/MS in selected reaction monitoring (SRM mode with both electron ionization (EI and negative-ion chemical ionization (NCI are presented for over 50 pesticides ranging from organochlorines (OCs, organophosphorus pesticides (OPs and pre-emergent herbicides used in the Canadian prairies (triallate, trifluralin, ethalfluralin. The developed GC-EI/SIM, GC-NCI/SIM, and GC-NCI/SRM are suitable for the determination of pesticides in air sample extracts at concentrations <100 pg µL−1 (<100 pg m−3 in air. No one method could be used to analyze the range of pre-emergent herbicides, OPs, and OCs investigated. In general GC-NCI/SIM provided the lowest method detection limits (MDLs commonly 2.5–10 pg µL−1 along with best confirmation (<25% RSD of ion ratio, while GC-NCI/SRM is recommended for use where added selectivity or confirmation is required (such as parathion-ethyl, tokuthion, carbofenothion. GC-EI/SRM at concentration <100 pg µL−1 was not suitable for most pesticides. GC-EI/SIM was more prone to interference issues than NCI methods, but gave good sensitivity (MDLs 1–10 pg µL−1 for pesticides with poor NCI response (OPs: sulfotep, phorate, aspon, ethion, and OCs: alachlor, aldrin, perthane, and DDE, DDD, DDT.

  9. Chemical and stable isotopic composition of water and gas in the Fort Union Formation of the Powder River Basin, Wyoming and Montana: Evidence for water/rock interaction and the biogenic origin of coalbed natural gas

    Science.gov (United States)

    Rice, Cynthia A.; Flores, Romeo M.; Stricker, Gary D.; Ellis, Margaret S.

    2008-01-01

    Significant amounts (> 36 million m3/day) of coalbed methane (CBM) are currently being extracted from coal beds in the Paleocene Fort Union Formation of the Powder River Basin of Wyoming and Montana. Information on processes that generate methane in these coalbed reservoirs is important for developing methods that will stimulate additional production. The chemical and isotopic compositions of gas and ground water from CBM wells throughout the basin reflect generation processes as well as those that affect water/rock interaction. Our study included analyses of water samples collected from 228 CBM wells. Major cations and anions were measured for all samples, δDH2O and δ18OH2O were measured for 199 of the samples, and δDCH4 of gas co-produced with water was measured for 100 of the samples. Results show that (1) water from Fort Union Formation coal beds is exclusively Na–HCO3-type water with low dissolved SO4 content (median water/rock interactions, such as cation exchange on clay minerals and precipitation/dissolution of CaCO3 and SO4 minerals, account for the accumulation of dissolved Na and depletion of Ca and Mg; (3) bacterially-mediated oxidation–reduction reactions account for high HCO3 (270–3310 mg/L) and low SO4 (median water line, indicating that the original meteoric water has been influenced by methanogenesis and by being mixed with surface and shallow groundwater.

  10. A Three-Dimensional Numerical Study of Gas-Particle Flow and Chemical Reactions in Circulating Fluidised Bed Reactors

    DEFF Research Database (Denmark)

    Hansen, Kim Granly

    of the particulate phase is modeled using the kinetic theory for granular flow, and the gas phase turbulence is modeled using a Sub-Grid-Scale model. A computational study of a cold flowing CFB riser has been performed. The results have been compared to experimental findings of particle volume fraction, particle...... with experimental findings of both mass flux and pressure profile, but further improvements are proposed and investigated. A parameter study shows that mesh refinement, choice of particle diameter and choice of drag model are crucial when simulating FCC riser flow. The isothermal decomposition of ozone has been...... using two-fluid modeling to predict riser flows there have been difficulties in predicting the solids hold up in risers represented by the correct pressure drop profile. Mesh refinement has shown to improve the axial segregation of particles in the riser, but when simulating a riser with a large L...

  11. Synthesis and characterization of silicon carbonitride films by plasma enhanced chemical vapor deposition (PECVD) using bis(dimethylamino)dimethylsilane (BDMADMS), as membrane for a small molecule gas separation

    Science.gov (United States)

    Kafrouni, W.; Rouessac, V.; Julbe, A.; Durand, J.

    2010-12-01

    Silicon carbonitride thin films have been deposited by plasma enhanced chemical vapor deposition (PECVD) from bis(dimethylamino)dimethylsilane (BDMADMS) as a function of X = (BDMADMS/(BDMADMS + NH 3)) between 0.1 and 1, and plasma power P (W) between 100 and 400 W. The microstructure of obtained materials has been studied by SEM, FTIR, EDS, ellipsometrie, and contact angle of water measurements. The structure of the materials is strongly depended on plasma parameters; we can pass from a material rich in carbon to a material rich in nitrogen. Single gas permeation tests have been carried out and we have obtained a helium permeance of about 10 -7 mol m -2 s -1 Pa -1 and ideal selectivity of helium over nitrogen of about 20.

  12. Enhanced Etching, Surface Damage Recovery, and Submicron Patterning of Hybrid Perovskites using a Chemically Gas-Assisted Focused-Ion Beam for Subwavelength Grating Photonic Applications

    KAUST Repository

    Alias, Mohd Sharizal

    2015-12-22

    The high optical gain and absorption of organic–inorganic hybrid perovskites have attracted attention for photonic device applications. However, owing to the sensitivity of organic moieties to solvents and temperature, device processing is challenging, particularly for patterning. Here, we report the direct patterning of perovskites using chemically gas-assisted focused-ion beam (GAFIB) etching with XeF2 and I2 precursors. We demonstrate etching enhancement in addition to controllability and marginal surface damage compared to focused-ion beam (FIB) etching without precursors. Utilizing the GAFIB etching, we fabricated a uniform and periodic submicron perovskite subwavelength grating (SWG) absorber with broadband absorption and nanoscale precision. Our results demonstrate the use of FIB as a submicron patterning tool and a means of providing surface treatment (after FIB patterning to minimize optical loss) for perovskite photonic nanostructures. The SWG absorber can be patterned on perovskite solar cells to enhance the device efficiency through increasing light trapping and absorption.

  13. Gas Chromatography/Atmospheric Pressure Chemical Ionization-Fourier Transform Ion Cyclotron Resonance Mass Spectrometry of Pyrolysis Oil from German Brown Coal

    Science.gov (United States)

    Zuber, Jan; Kroll, Marius M.; Rathsack, Philipp; Otto, Matthias

    2016-01-01

    Pyrolysis oil from the slow pyrolysis of German brown coal from Schöningen, obtained at a temperature of 500°C, was separated and analyzed using hyphenation of gas chromatography with an atmospheric pressure chemical ionization source operated in negative ion mode and Fourier transform ion cyclotron resonance mass spectrometry (GC-APCI-FT-ICR-MS). Development of this ultrahigh-resolving analysis method is described, that is, optimization of specific GC and APCI parameters and performed data processing. The advantages of GC-APCI-FT-ICR-MS hyphenation, for example, soft ionization, ultrahigh-resolving detection, and most important isomer separation, were demonstrated for the sample liquid. For instance, it was possible to separate and identify nine different propylphenol, ethylmethylphenol, and trimethylphenol isomers. Furthermore, homologous series of different acids, for example, alkyl and alkylene carboxylic acids, were verified, as well as homologous series of alkyl phenols, alkyl dihydroxy benzenes, and alkoxy alkyl phenols. PMID:27066076

  14. Enhanced Etching, Surface Damage Recovery, and Submicron Patterning of Hybrid Perovskites using a Chemically Gas-Assisted Focused-Ion Beam for Subwavelength Grating Photonic Applications.

    Science.gov (United States)

    Alias, Mohd S; Yang, Yang; Ng, Tien K; Dursun, Ibrahim; Shi, Dong; Saidaminov, Makhsud I; Priante, Davide; Bakr, Osman M; Ooi, Boon S

    2016-01-07

    The high optical gain and absorption of organic-inorganic hybrid perovskites have attracted attention for photonic device applications. However, owing to the sensitivity of organic moieties to solvents and temperature, device processing is challenging, particularly for patterning. Here, we report the direct patterning of perovskites using chemically gas-assisted focused-ion beam (GAFIB) etching with XeF2 and I2 precursors. We demonstrate etching enhancement in addition to controllability and marginal surface damage compared to focused-ion beam (FIB) etching without precursors. Utilizing the GAFIB etching, we fabricated a uniform and periodic submicron perovskite subwavelength grating (SWG) absorber with broadband absorption and nanoscale precision. Our results demonstrate the use of FIB as a submicron patterning tool and a means of providing surface treatment (after FIB patterning to minimize optical loss) for perovskite photonic nanostructures. The SWG absorber can be patterned on perovskite solar cells to enhance the device efficiency through increasing light trapping and absorption.

  15. Gas Chromatography/Atmospheric Pressure Chemical Ionization-Fourier Transform Ion Cyclotron Resonance Mass Spectrometry of Pyrolysis Oil from German Brown Coal

    Directory of Open Access Journals (Sweden)

    Jan Zuber

    2016-01-01

    Full Text Available Pyrolysis oil from the slow pyrolysis of German brown coal from Schöningen, obtained at a temperature of 500°C, was separated and analyzed using hyphenation of gas chromatography with an atmospheric pressure chemical ionization source operated in negative ion mode and Fourier transform ion cyclotron resonance mass spectrometry (GC-APCI-FT-ICR-MS. Development of this ultrahigh-resolving analysis method is described, that is, optimization of specific GC and APCI parameters and performed data processing. The advantages of GC-APCI-FT-ICR-MS hyphenation, for example, soft ionization, ultrahigh-resolving detection, and most important isomer separation, were demonstrated for the sample liquid. For instance, it was possible to separate and identify nine different propylphenol, ethylmethylphenol, and trimethylphenol isomers. Furthermore, homologous series of different acids, for example, alkyl and alkylene carboxylic acids, were verified, as well as homologous series of alkyl phenols, alkyl dihydroxy benzenes, and alkoxy alkyl phenols.

  16. Gas Chromatography/Atmospheric Pressure Chemical Ionization-Fourier Transform Ion Cyclotron Resonance Mass Spectrometry of Pyrolysis Oil from German Brown Coal.

    Science.gov (United States)

    Zuber, Jan; Kroll, Marius M; Rathsack, Philipp; Otto, Matthias

    2016-01-01

    Pyrolysis oil from the slow pyrolysis of German brown coal from Schöningen, obtained at a temperature of 500°C, was separated and analyzed using hyphenation of gas chromatography with an atmospheric pressure chemical ionization source operated in negative ion mode and Fourier transform ion cyclotron resonance mass spectrometry (GC-APCI-FT-ICR-MS). Development of this ultrahigh-resolving analysis method is described, that is, optimization of specific GC and APCI parameters and performed data processing. The advantages of GC-APCI-FT-ICR-MS hyphenation, for example, soft ionization, ultrahigh-resolving detection, and most important isomer separation, were demonstrated for the sample liquid. For instance, it was possible to separate and identify nine different propylphenol, ethylmethylphenol, and trimethylphenol isomers. Furthermore, homologous series of different acids, for example, alkyl and alkylene carboxylic acids, were verified, as well as homologous series of alkyl phenols, alkyl dihydroxy benzenes, and alkoxy alkyl phenols.

  17. Gas chromatography/mass spectrometric analysis of methyl esters of N,N-dialkylaminoethane-2-sulfonic acids for verification of the Chemical Weapons Convention.

    Science.gov (United States)

    Pardasani, Deepak; Gupta, Arvinda K; Palit, Meehir; Shakya, Purushottam; Kanaujia, Pankaj K; Sekhar, K; Dubey, Devendra K

    2005-01-01

    This paper describes the synthesis and gas chromatography/electron ionization mass spectrometric (GC/EI-MS) analysis of methyl esters of N,N-dialkylaminoethane-2-sulfonic acids (DAESAs). These sulfonic acids are important environmental signatures of nerve agent VX and its toxic analogues, hence GC/EI-MS analysis of their methyl esters is of paramount importance for verification of the Chemical Weapons Convention. DAESAs were prepared by condensation of 2-bromoethane sulfonic acid with dialkylamines, and by condensation of dialkylaminoethyl chloride with sodium bisulfite. GC/EI-MS analysis of methyl esters of DAESAs yielded mass spectra; based on these spectra, generalized fragmentation routes are proposed that rationalize most of the characteristic ions. (c) 2005 John Wiley & Sons, Ltd.

  18. Fabrication of heterogeneous nanomaterial array by programmable heating and chemical supply within microfluidic platform towards multiplexed gas sensing application

    Science.gov (United States)

    Yang, Daejong; Kang, Kyungnam; Kim, Donghwan; Li, Zhiyong; Park, Inkyu

    2015-01-01

    A facile top-down/bottom-up hybrid nanofabrication process based on programmable temperature control and parallel chemical supply within microfluidic platform has been developed for the all liquid-phase synthesis of heterogeneous nanomaterial arrays. The synthesized materials and locations can be controlled by local heating with integrated microheaters and guided liquid chemical flow within microfluidic platform. As proofs-of-concept, we have demonstrated the synthesis of two types of nanomaterial arrays: (i) parallel array of TiO2 nanotubes, CuO nanospikes and ZnO nanowires, and (ii) parallel array of ZnO nanowire/CuO nanospike hybrid nanostructures, CuO nanospikes and ZnO nanowires. The laminar flow with negligible ionic diffusion between different precursor solutions as well as localized heating was verified by numerical calculation and experimental result of nanomaterial array synthesis. The devices made of heterogeneous nanomaterial array were utilized as a multiplexed sensor for toxic gases such as NO2 and CO. This method would be very useful for the facile fabrication of functional nanodevices based on highly integrated arrays of heterogeneous nanomaterials. PMID:25634814

  19. Fabrication of heterogeneous nanomaterial array by programmable heating and chemical supply within microfluidic platform towards multiplexed gas sensing application

    Science.gov (United States)

    Yang, Daejong; Kang, Kyungnam; Kim, Donghwan; Li, Zhiyong; Park, Inkyu

    2015-01-01

    A facile top-down/bottom-up hybrid nanofabrication process based on programmable temperature control and parallel chemical supply within microfluidic platform has been developed for the all liquid-phase synthesis of heterogeneous nanomaterial arrays. The synthesized materials and locations can be controlled by local heating with integrated microheaters and guided liquid chemical flow within microfluidic platform. As proofs-of-concept, we have demonstrated the synthesis of two types of nanomaterial arrays: (i) parallel array of TiO2 nanotubes, CuO nanospikes and ZnO nanowires, and (ii) parallel array of ZnO nanowire/CuO nanospike hybrid nanostructures, CuO nanospikes and ZnO nanowires. The laminar flow with negligible ionic diffusion between different precursor solutions as well as localized heating was verified by numerical calculation and experimental result of nanomaterial array synthesis. The devices made of heterogeneous nanomaterial array were utilized as a multiplexed sensor for toxic gases such as NO2 and CO. This method would be very useful for the facile fabrication of functional nanodevices based on highly integrated arrays of heterogeneous nanomaterials.

  20. Chemical composition and structural phase changes of Pd sample and properties of novel synthesized structure at dense deuterium gas under irradiation by γ-quanta

    Science.gov (United States)

    Didyk, A. Yu.; Wiśniewski, R.

    2012-12-01

    Studies have been carried out into the element composition of Pd and brass with associated materials and synthesized novel structure, placed in dense deuterium gas in a deuterium high-pressure chamber (DHPC) under the pressure 3 kbar and irradiated with γ-quanta of energy up to 8.8 MeV. Using the methods of scanning electron microscopy, microelement chemical analysis and X-ray diffraction, it was determined that in the absence in the chamber volume and walls of all HPC-forming materials the synthesized structure is largely composed of alumosilicates and Al and Si oxides with high content of Ti compounds as rutile TiO2. Pd1.5D2. Considerable anomalies in the chemical composition were found both in the surface and at large depth in a Pd specimen. The entire Pd surface turned into a structure comprised of Pd clusters, Cu and Zn compounds, with a notable content of Mg, Al, S, Si, K, Ca, Ti and Fe compounds. Results of evaluative calculations, including computation of the Q-value, are presented for nuclear reactions produced in a saturated with deuterium Pd specimen and dense deuterium gas under the action of γ-quanta, neutrons and protons of energies up to E n + E p ≈ E γ - E D MeV generated by deuteron fission. The obtained results can be explained by "collective effects" as chain reactions caused by deuteron fission induced by protons ( E p > 3.39 MeV) and neutrons ( E n > 2.25 MeV), as well as by thermonuclear synthesis of deuterium atoms elastically scattered by protons of energies up to E P < E γ - E D MeV.

  1. Simultaneous determination of 16 brominated flame retardants in food and feed of animal origin by fast gas chromatography coupled to tandem mass spectrometry using atmospheric pressure chemical ionisation.

    Science.gov (United States)

    Bichon, E; Guiffard, I; Vénisseau, A; Lesquin, E; Vaccher, V; Brosseaud, A; Marchand, P; Le Bizec, B

    2016-08-12

    A gas chromatography tandem mass spectrometry method using atmospheric pressure chemical ionisation was developed for the monitoring of 16 brominated flame retardants (7 usually monitored polybromodiphenylethers (PBDEs) and BDE #209 and 8 additional emerging and novel BFRs) in food and feed of animal origin. The developed analytical method has decreased the run time by three compared to conventional strategies, using a 2.5m column length (5% phenyl stationary phase, 0.1mm i.d., 0.1μmf.t.), a pulsed split injection (1:5) with carrier gas helium flow rate at 0.48mLmin(-1) in one run of 20 min. For most BFRs, analytical data were compared with the current analytical strategy relying on GC/EI/HRMS (double sector, R=10000 at 10% valley). Performances in terms of sensitivity were found to meet the Commission recommendation (118/2014/EC) for nBFRs. GC/APCI/MS/MS represents a promising alternative for multi-BFRs analysis in complex matrices, in that it allows the monitoring of a wider list of contaminants in a single injection and a shorter run time. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Novel characterisation of minor α-linolenic acid isomers in linseed oil by gas chromatography and covalent adduct chemical ionisation tandem mass spectrometry.

    Science.gov (United States)

    Gómez-Cortés, P; Brenna, J T; Lawrence, P; de la Fuente, M A

    2016-06-01

    Discrimination between polyunsaturated fatty acid isomers with three double bonds is a great challenge, due to structural similarities and similar polarities. In this study, we report the identification of four minor geometrical isomers of α-linolenic acid (ALA) present in linseed oil samples: (9E,12Z,15E)-, (9Z,12Z,15E)-, (9Z,12E,15Z)- and (9E,12Z,15Z)-octadeca-9,12,15-trienoic acids, chromatographically resolved by gas chromatography (GC) using a new and highly polar ionic phase column (SLB-IL111). Gas chromatography-electron ionisation mass spectrometry (GC-EIMS) determined that the four unknown compounds were C18:3 n-3 isomers. The positional 9-12-15 C18:3 configuration was achieved by covalent adduct chemical ionisation tandem mass spectrometry (CACI-MS/MS) while geometrical configuration was established with analytical standards based on relative retention. We hypothesised that these isomers are formed during linseed oil deodorisation and postulate preferred and unfavoured isomerisation pathways of ALA. Copyright © 2016 Elsevier Ltd. All rights reserved.

  3. A DFT study of the chemical reactivity of cimetidine A, C and D in the gas, H2O, MeOH and EtOH solvents

    Directory of Open Access Journals (Sweden)

    Mendoza Huizar Luis Humberto

    2017-01-01

    In the present work, we have analyzed the chemical reactivity of cimetidine A, C and D in different solvents; through the evaluation of global and local DFT reactivity descriptors. In the gas, MeOH and EtOH phases, cimetidine A, C and D exhibit energy differences of 3-11 kcal mol-1. But, in the aqueous phase, cimetidine A and D are approximately isoenergetic. The values of the hardness indicate that cimetidine A, C and D are more reactive in the presence of a solvent than in the gas phase. Also, our results suggest that CimC and CimD are better nucleophiles that CimA. The Fukui Function values suggest that the more reactive sites of CimA are not modified in the different solvents. In the case of CimC, the more reactive sites to electrophilic and free radical attacks are located on the thioether sulfur. For CimD, the number and place of the electrophilic and free radical sites are independent of the solvent.

  4. Atmospheric measurements of gas-phase HNO3 and SO2 using chemical ionization mass spectrometry during the MINATROC field campaign 2000 on Monte Cimone

    Directory of Open Access Journals (Sweden)

    M. Hanke

    2003-01-01

    Full Text Available The EU-project MINATROC (MINeral dust And TROpospheric Chemistry aims at enabling an estimation of the influence of mineral dust, a major, but to date largely ignored component of tropospheric aerosol, on tropospheric oxidant cycles. Within the scope of this project continuous atmospheric measurements of gas-phase HNO3 and SO2 were conducted in June and July 2000 at the CNR WMO station, situated on Monte Cimone (MTC (44°11' N --10°42' E, 2165 m asl, Italy. African air transporting dust is occasionally advected over the Mediterranean Sea to the site, thus mineral aerosol emitted from Africa will encounter polluted air masses and provide ideal conditions to study their interactions. HNO3 and SO2 were measured with an improved CIMS (chemical ionization mass spectrometry system for ground-based measurements that was developed and built at MPI-K Heidelberg. Since HNO3  is a very sticky compound special care was paid for the air-sampling and background-measurement system. Complete data sets could be obtained before, during and after major dust intrusions. For the first time these measurements might provide a strong observational indication of efficient uptake of gas-phase HNO3 by atmospheric mineral-dust aerosol particles.

  5. Use of a Hand-Portable Gas Chromatograph-Toroidal Ion Trap Mass Spectrometer for Self-Chemical Ionization Identification of Degradation Products Related to O-ethyl S-(2-diisopropylaminoethyl) Methyl Phosphonothiolate (VX)

    Science.gov (United States)

    2011-01-01

    detector operated under both EI and CI ( NH3 ) conditions. P.A. Smith et al. / Analytica Chimica Acta 690 (2011) 215–220 217 A small amount of VX was obtained...of work within a scrubber - equipped fume hood, and two-person chemical agent handling procedures. TheVXmaterialwashandledby licensedDRDCSuffield...high purity NH3 used as CI reagent gas. Reagent gas flow settings and tuning for CI analyses followed the instrument manufacturer’s instructions. 3

  6. Operation of the NETL Chemical Looping Reactor with Natural Gas and a Novel Copper-Iron Material

    Energy Technology Data Exchange (ETDEWEB)

    Bayham, Sanuel [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Straub, Doug [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Weber, Justin [National Energy Technology Lab. (NETL), Morgantown, WV (United States)

    2017-02-01

    As part of the U.S. Department of Energy’s Advanced Combustion Program, the National Energy Technology Laboratory’s Research and Innovation Center (NETL R&IC) is investigating the feasibility of a novel combustion concept in which the GHG emissions can be significantly reduced. This concept involves burning fuel and air without mixing these two reactants. If this concept is technically feasible, then CO2 emissions can be significantly reduced at a much lower cost than more conventional approaches. This indirect combustion concept has been called Chemical Looping Combustion (CLC) because an intermediate material (i.e., a metaloxide) is continuously cycled to oxidize the fuel. This CLC concept is the focus of this research and will be described in more detail in the following sections.

  7. Fast gas chromatographic residue analysis in animal feed using split injection and atmospheric pressure chemical ionisation tandem mass spectrometry.

    Science.gov (United States)

    Tienstra, M; Portolés, T; Hernández, F; Mol, J G J

    2015-11-27

    Significant speed improvement for instrumental runtime would make GC–MS much more attractive for determination of pesticides and contaminants and as complementary technique to LC–MS. This was the trigger to develop a fast method (time between injections less than 10 min) for the determination of pesticides and PCBs that are not (or less) amenable to LC–MS. A key factor in achieving shorter analysis time was the use of split injection (1:10) which allowed the use of a much higher initial GC oven temperature. A shorter column (15 m), higher temperature ramp, and higher carrier gas flow rate (6 mL/min) further contributed to analysis-time reduction. Chromatographic resolution was slightly compromised but still well fit-for-purpose. Due to the high sensitivity of the technique used (GC–APCI-triple quadrupole MS/MS), quantification and identification were still possible down to the 10 μg/kg level, which was demonstrated by successful validation of the method for complex feed matrices according to EU guidelines. Other advantages of the method included a better compatibility of acetonitrile extracts (e.g. QuEChERS) with GC, and a reduced transfer of co-extractants into the GC column and mass spectrometer.

  8. Gas-phase standard enthalpies of formation of urea-derived compounds: A quantum-chemical study

    Science.gov (United States)

    Gratzfeld, Dennis; Olzmann, Matthias

    2017-07-01

    Gas-phase standard enthalpies of formation of selected ureas and s-triazines were calculated at the CCSD(F12∗)(T)/cc-pVTZ-F12//ωB97X-D/cc-pVTZ level of theory by employing isodesmic reactions. The following values were obtained (T = 298.15 K, units: kJ mol-1, estimated confidence interval 95%): urea, -231.9 ± 2.8; biuret, -430.0 ± 4.5; triuret, -620.3 ± 6.3; cyanuric acid, -451.6 ± 6.3; ammelide, -303.9 ± 6.4; ammeline, -106.5 ± 6.2; melamine, 70.1 ± 7.0. The standard enthalpies of formation of methanimine and methylamine, which were required for the isodesmic reactions, were calculated from atomization reactions by using several variants of the HEAT approach. The following results were considered most reliable (T = 298.15 K, units: kJ mol-1, estimated confidence interval 95%): methanimine, 89.0 ± 1.0; methylamine, -20.7 ± 1.0.

  9. Effects of coal storage in air on physical and chemical properties of coal and on gas adsorption

    Science.gov (United States)

    Mastalerz, Maria; Solano-Acosta, W.; Schimmelmann, A.; Drobniak, A.

    2009-01-01

    This paper investigates changes in the high-volatile bituminous Lower Block Coal Member from Indiana owing to moisture availability and oxidation in air at ambient pressure and temperature over storage time. Specifically, it investigates changes in chemistry, in surface area, and pore structure, as well as changes in methane and carbon dioxide adsorption capacities. Our results document that the methane adsorption capacity increased by 40%, whereas CO2 adsorption capacity increased by 18% during a 13-month time period. These changes in adsorption are accompanied by changes in chemistry and surface area of the coal. The observed changes in adsorption capacity indicate that special care must be taken when collecting samples and preserving coals until adsorption characteristics are measured in the laboratory. High-pressure isotherms from partially dried coal samples would likely cause overestimation of gas adsorption capacities, lead to a miscalculation of coal-bed methane prospects, and provide deceptively optimistic prognoses for recovery of coal-bed methane or capture of anthropogenic CO2. ?? 2009 Elsevier B.V. All rights reserved.

  10. Identification of fatty acids in fishes collected from the Ohio River using gas chromatography-mass spectrometry in chemical ionization and electron impact modes.

    Science.gov (United States)

    Dayhuff, Le-Ellen; Wells, Martha J M

    2005-12-09

    Analyses of fatty acid (FA) composition in freshwater fishes promote understanding of the potential relationship between fish health or human nutrition and specific FAs. Therefore, the chemical identity of FAs in endemic fishes must be established. Paddlefish, sauger, and white bass were collected from the Ohio River. The structural identification of esterified FAs from fish-fillet lipids was conducted using gas chromatography-mass spectrometry (GC-MS). The same 13 FAs, composing more than 90% of the mass of FAs extracted by techniques used in this research, were found in all three species examined. Carbon chain length and degree and position of unsaturation were determined from the characteristic ionization and fragmentation of FA methyl esters (FAMEs) resulting from GC-MS electron impact (EI) and chemical ionization (CI) modes. Assignment of structure to the extracted FAs required complementary interpretation of both EI and CI MS. The EI spectra observed substantiate findings reported in the literature. The novelty of this research is in the thorough interpretation of CI spectra for which less data are available. The observations reported for analyses of fishes will be useful to all researchers studying FAs regardless of sample media.

  11. Characterization of Chemical Composition of Pericarpium Citri Reticulatae Volatile Oil by Comprehensive Two-Dimensional Gas Chromatography with High-Resolution Time-of-Flight Mass Spectrometry

    Directory of Open Access Journals (Sweden)

    Kunming Qin

    2013-01-01

    Full Text Available Pericarpium Citri Reticulatae (Chenpi in Chinese has been widely used as an herbal medicine in Korea, China, and Japan. Chenpi extracts are used to treat indigestion and inflammatory syndromes of the respiratory tract such as bronchitis and asthma. This thesis will analyze chemical compositions of Chenpi volatile oil, which was performed by comprehensive two-dimensional gas chromatography with high-resolution time-of-flight mass spectrometry (GC × GC-HR-TOFMS. One hundred and sixty-seven components were tentatively identified, and terpene compounds are the main components of Chenpi volatile oil, a significant larger number than in previous studies. The majority of the eluted compounds, which were identified, were well separated as a result of high-resolution capability of the GC × GC method, which significantly reduces, the coelution. β-Elemene is tentatively qualified by means of GC × GC in tandem with high-resolution TOFMS detection, which plays an important role in enhancing the effects of many anticancer drugs and in reducing the side effects of chemotherapy. This study suggests that GC × GC-HR-TOFMS is suitable for routine characterization of chemical composition of volatile oil in herbal medicines.

  12. Interaction of silicene with amino acid analogues—from physical to chemical adsorption in gas and solvated phases

    Science.gov (United States)

    Jagvaral, Yesukhei; He, Haiying; Pandey, Ravindra

    2018-01-01

    Silicene is an emerging 2D material, and an understanding of its interaction with amino acids, the basic building blocks of protein, is of fundamental importance. In this paper, we investigate the nature of adsorption of amino-acid analogues on silicene employing density functional theory and an implicit solvation model. Amino acid analogues are defined as CH3-R molecules, where R is the functional group of the amino acid side chain. The calculated results find three distinct groups within the amino-acid analogues considered: (i) group I, which includes MeCH3 and MeSH, interacts with silicene via the van der Waals dispersive terms leading to physisorbed configurations; (ii) group II strongly interacts with silicene forming Si-O/N chemical bonds in the chemisorbed configurations; and (iii) group III, which consists of the phenyl group, interacts with silicene via π-π interactions leading to physisorbed configurations. The results show that the lateral chains of the amino acids intrinsically determine the interactions between protein and silicene at the interface under the given physiological conditions.

  13. Optimum Performance Enhancing Strategies of the Gas Turbine Based on the Effective Temperatures

    Directory of Open Access Journals (Sweden)

    Ibrahim Thamir K.

    2016-01-01

    Full Text Available Gas turbines (GT have come to play a significant role in distributed energy systems due to its multi-fuel capability, compact size and low environmental impact and reduced cost. Nevertheless, the low electrical efficiency, typically about 30% (LHV, is an important obstruction to the development of the GT plants. New strategies are designed for the GT plant, to increase the overall performance based on the operational modeling and optimization of GT power plants. The enhancing strategies effect on the GT power plant’s performance (with intercooler, two-shaft, reheat and regenerative based on the real power plant of GT. An analysis based on thermodynamics has been carried out on the modifications of the cycle configurations’ enhancements. Then, the results showed the effect of the ambient and turbine inlet temperatures on the performance of the GT plants to select an optimum strategy for the GT. The performance model code to compare the strategies of the GT plants were developed utilizing the MATLAB software. The results show that, the best thermal efficiency occurs in the intercooler-regenerative-reheated GT strategy (IRHGT; it decreased from 51.5 to 48%, when the ambient temperature increased (from 273 to 327K. Furthermore, the thermal efficiency of the GT for the strategies without the regenerative increased (about 3.3%, while thermal efficiency for the strategies with regenerative increased (about 22% with increased of the turbine inlet temperature. The lower thermal efficiency occurs in the IHGT strategy, while the higher thermal efficiency occurs in the IRHGT strategy. However, the power output variation is more significant at a higher value of the turbine inlet temperature. The simulation model gives a consistent result compared with Baiji GT plant. The extensive modeling performed in this study reveals that; the ambient temperature and turbine inlet temperature are strongly influenced on the performance of GT plant.

  14. Origin and age of thermal waters in Cieplice Spa, Sudeten, Poland, inferred from isotope, chemical and noble gas data

    Science.gov (United States)

    Ciȩżkowski, W.; Gröning, M.; Leśniak, P. M.; Weise, S. M.; Zuber, A.

    1992-12-01

    Isotope and hydrochemical data of the thermal water system in Cieplice Ṡlaskie Zdrój (Spa) indicate the existence of two subsystems that greatly differ in volume and which meet at the fault zones of a granitic horst, where they discharge at an altitude of about 340m. One of the subsystems is very small (about 4 × 10 3 m 3) as indicated by the tritium age of the order of 10 years and a low outflow rate. Its recharge area found from the δ18O and δD values, is about 200m above the springs, most probably on the slopes of the foothills of the Karkonosze Mountains south-southwest of the spa. The large subsystem contains water which is free of tritium and whose 14C content is from 1 to 8 pmc with δ13C = -8.0 to -9.2‰. The isotopic composition of this water reflects either the climatic effect (low-altitude recharge during a cooler pre-Holocene climate) or the altitude effect (recharge in the early Holocene period at about 1000m at the heights of the Karkonosze assuming that the 14C concentration is strongly reduced by exchange with calcite in veins). For the former hypothesis, the recharge area of this water is probably either at the foot of the southeastern slopes of the Kaczawa Mountains or/and at the foot of the Rudawy Janowickie Mountains, to the east of Cieplice. The noble gas temperatures are more consistent with the pre-Holocene recharge. Similarly, the 4He excess and {40Ar}/{36Ar} ratio support the hypothesis of a pre-Holecene age. The constant {3He}/{4He} ratio of 26 × 10 -8 for highly different helium contents indicates crustal origin of helium. For the pre-Holocene age of water its volume is calculated at >- 10 9m 3 (stagnant water in micropores and mobile water in fractures) and the hydraulic conductivity of the host granite massif is estimated at about 7 × 10 -8 ms -1. Two outflows from this subsystem have different and variable fractions of a modern water component (bomb age), most probably originating from the bank infiltration of a nearby stream.

  15. DEVELOPMENT OF ANALYTICAL METHODS FOR THE QUANTIFICATION OF THE CHEMICAL FORMS OF MERCURY AND OTHER TARGET POLLUTANTS IN COAL-FIRED BOILER FLUE GAS

    Energy Technology Data Exchange (ETDEWEB)

    Terence J. McManus, Ph.D.

    1999-06-30

    . (ATS) as a secondary DOE contractor on this project, assessed the sampling and analytical plans and the emission reports of the five primary contractors to determine how successful the contractors were in satisfying their defined objectives. ATS identified difficulties and inconsistencies in a number of sampling and analytical methodologies in these studies. In particular there was uncertainty as to the validity of the sampling and analytical methods used to differentiate the chemical forms of mercury observed in coal flue gas. Considering the differences in the mercury species with regard to human toxicity, the rate of transport through the ecosystem and the design variations in possible emission control schemes, DOE sought an accurate and reliable means to identify and quantify the various mercury compounds emitted by coal-fired utility boilers. ATS, as a contractor for DOE, completed both bench- and pilot-scale studies on various mercury speciation methods. The final validation of the modified Ontario-Hydro Method, its acceptance by DOE and submission of the method for adoption by ASTM was a direct result of these studies carried out in collaboration with the University of North Dakota's Energy and Environmental Research Center (UNDEERC). This report presents the results from studies carried out at ATS in the development of analytical methods to identify and quantify various chemical species, particularly those of mercury, in coal derived flue gas. Laboratory- and pilot-scale studies, not only on mercury species, but also on other inorganics and organics present in coal combustion flue gas are reported.

  16. Potential of atmospheric pressure chemical ionization source in gas chromatography tandem mass spectrometry for the screening of urinary exogenous androgenic anabolic steroids.

    Science.gov (United States)

    Raro, M; Portolés, T; Pitarch, E; Sancho, J V; Hernández, F; Garrostas, L; Marcos, J; Ventura, R; Segura, J; Pozo, O J

    2016-02-04

    The atmospheric pressure chemical ionization (APCI) source for gas chromatography-mass spectrometry analysis has been evaluated for the screening of 16 exogenous androgenic anabolic steroids (AAS) in urine. The sample treatment is based on the strategy currently applied in doping control laboratories i.e. enzymatic hydrolysis, liquid-liquid extraction (LLE) and derivatization to form the trimethylsilyl ether-trimethylsilyl enol ether (TMS) derivatives. These TMS derivatives are then analyzed by gas chromatography tandem mass spectrometry using a triple quadrupole instrument (GC-QqQ MS/MS) under selected reaction monitoring (SRM) mode. The APCI promotes soft ionization with very little fragmentation resulting, in most cases, in abundant [M + H](+) or [M + H-2TMSOH](+) ions, which can be chosen as precursor ions for the SRM transitions, improving in this way the selectivity and sensitivity of the method. Specificity of the transitions is also of great relevance, as the presence of endogenous compounds can affect the measurements when using the most abundant ions. The method has been qualitatively validated by spiking six different urine samples at two concentration levels each. Precision was generally satisfactory with RSD values below 25 and 15% at the low and high concentration level, respectively. Most the limits of detection (LOD) were below 0.5 ng mL(-1). Validation results were compared with the commonly used method based on the electron ionization (EI) source. EI analysis was found to be slightly more repeatable whereas lower LODs were found for APCI. In addition, the applicability of the developed method has been tested in samples collected after the administration of 4-chloromethandienone. The highest sensitivity of the APCI method for this compound, allowed to increase the period in which its administration can be detected. Copyright © 2015 Elsevier B.V. All rights reserved.

  17. Determination of red blood cell fatty acid profiles: Rapid and high-confident analysis by chemical ionization-gas chromatography-tandem mass spectrometry.

    Science.gov (United States)

    Schober, Yvonne; Wahl, Hans Günther; Renz, Harald; Nockher, Wolfgang Andreas

    2017-01-01

    Cellular fatty acid (FA) profiles have been acknowledged as biomarkers in various human diseases. Nevertheless, common FA analysis by gas chromatography mass spectrometry (GC-MS) requires long analysis time. Hence, there is a need for feasible methods for high throughput analysis in clinical studies. FA was extracted from red blood cells (RBC) and derivatized to fatty acid methyl esters (FAME). A method using gas chromatography tandem mass spectrometry (GC-MS/MS) with ammonia-induced chemical ionization (CI) was developed for the analysis of FA profiles in human RBC. We compared this method with classical single GC-MS using electron impact ionization (EI). The FA profiles of 703 RBC samples were determined by GC-MS/MS. In contrast to EI ammonia-induced CI resulted in adequate amounts of molecular ions for further fragmentation of FAME. Specific fragments for confident quantification and fragmentation were determined for 45 FA. The GC-MS/MS method has a total run time of 9min compared to typical analysis times of up to 60min in conventional GC-MS. Intra and inter assay variations were Analysis of RBC FA composition revealed an age-dependent increase of the omega-3 eicosapentaenoic and docosahexaenoic acid, and a decline of the omega-6 linoleic acid with a corresponding rise of the omega-3 index. The combination of ammonia-induced CI and tandem mass spectrometry after GC separation allows for high-throughput, robust and confident analysis of FA profiles in the clinical laboratory. Copyright © 2016. Published by Elsevier B.V.

  18. In-Line Ozonation for Sensitive Air-Monitoring of a Mustard-Gas Simulant by Atmospheric Pressure Chemical Ionization Mass Spectrometry

    Science.gov (United States)

    Okumura, Akihiko

    2015-09-01

    A highly sensitive method for real-time air-monitoring of mustard gas (bis(2-chloroethyl) sulfide, HD), which is a lethal blister agent, is proposed. Humidified air containing a HD simulant, 2-chloroethyl ethyl sulfide (2CEES), was mixed with ozone and then analyzed by using an atmospheric pressure chemical ionization ion trap tandem mass spectrometer. Mass-spectral ion peaks attributable to protonated molecules of intact, monooxygenated, and dioxygenated 2CEES (MH+, MOH+, and MO2H+, respectively) were observed. As ozone concentration was increased from zero to 30 ppm, the signal intensity of MH+ sharply decreased, that of MOH+ increased once and then decreased, and that of MO2H+ sharply increased until reaching a plateau. The signal intensity of MO2H+ at the plateau was 40 times higher than that of MH+ and 100 times higher than that of MOH+ in the case without in-line ozonation. Twenty-ppm ozone gas was adequate to give a linear calibration curve for 2CEES obtained by detecting the MO2H+ signal in the concentration range up to 60 μg/m3, which is high enough for hygiene management. In the low concentration range lower than 3 μg/m3, which is equal to the short-term exposure limit for HD, calibration plots unexpectedly fell off the linear calibration curve, but 0.6-μg/m3 vapor was actually detected with the signal-to-noise ratio of nine. Ozone was generated from instrumentation air by using a simple and inexpensive home-made generator. 2CEES was ozonated in 1-m extended sampling tube in only 1 s.

  19. The 2012-2016 eruptive cycle at Copahue volcano (Argentina) versus the peripheral gas manifestations: hints from the chemical and isotopic features of fumarolic fluids

    Science.gov (United States)

    Tassi, F.; Agusto, M.; Lamberti, C.; Caselli, A. T.; Pecoraino, G.; Caponi, C.; Szentiványi, J.; Venturi, S.; Vaselli, O.

    2017-10-01

    This study presents the chemical and isotopic compositions of hydrothermal gases from fumaroles discharging around Copahue volcano (Argentina). Gas samples, including those from two fumaroles at the active summit crater, were collected during 13 surveys carried out by different research teams from 1976 to February 2016. The time-series of H2, CO and light hydrocarbons showed episodic increases related to the main events of the last eruptive cycle that started on 19 July 2012. Concentration peaks were likely caused by enhanced input of hot magmatic fluids affecting the hydrothermal reservoir. These data contrast with the temporal variations shown by Rc/ Ra and δ13C-CO2 values in 2012-2014, which indicated an increasing input from a crustal fluid source. In 2015-2016, however, these isotopic parameters showed opposite trends; their composition became closer to that of the two summit fumaroles, which possibly corresponds to that of the deep magmatic-related end-member. The delayed and reduced compositional changes in the peripheral hydrothermal fluid discharge in response to the 2012-2016 eruptive events suggest that geochemical surveys of these emissions are unlikely to provide premonitory signals of volcanic unrest if the volcanic activity remains centered in the main crater. Instead, an instrument which is able to provide measurements of volcanic gases in the air (e.g. MultiGAS) may be used to detect changes at the summit crater. Otherwise, monitoring of seismic activity and ground deformation, as well as the periodic measurement of the chemistry of the water in the Rio Agrio, which is fed by thermal discharge from the summit crater, seem to represent the most reliable means of monitoring at Copahue. However, the relative compositional stability of the hydrothermal reservoir is a great advantage in terms of geothermal resource exploitation and could encourage new investments in the Copahue geothermal project which was abandoned in the 1990s.

  20. Toward Comprehensive Physical/Chemical Understanding of the Circumstellar Environments - Simultaneous Probing of Each of the Ionized/Atomic/Molecular Gas and Dust Components

    Science.gov (United States)

    Ueta, Toshiya

    also suggest that the central star of about 1.5 M_sun initial mass is terminating its PN evolution onto the white dwarf cooling track. The most notable aspect of the HerPlaNS analysis is simultaneous probing of each of the ionized/atomic/molecular gas and dust components in the target PN, which can properly determine relative abundances of these components as a function of position in the shell, allowing us to investigate the mass loss history. With this NASA ADAP proposal, we request funding to continue the simultaneous probing of all the PN components for the rest of 10 HerPlaNS target PNs and 13 other PNs in the Herschel Science Archive for which a full complement of the analysis can be performed (plus the remaining 29 PNs in the archive for which partial analysis is possible, for the sake of completeness). Our goals are to perform (1) broadband thermal dust emission fitting to establish the dust mass distribution in the target PNs and (2) farIR line diagnostics to establish the mass distribution of each of the ionized, atomic, and molecular gas components in the target PNs, so that we can create empirically-sound gasto-dust mass ratio maps which permit us to investigate the possibility of time variations in the gas-to-dust mass ratio over the course of mass loss history. We will also perform photoionization modeling using (py)CLOUDY and MOCASSIN to establish 3-D physical/chemical stratification within the nebulae as a manifestation of mass-loss modulations over the course of mass loss history. Our analysis is also assisted by optical data obtained through slit-scan mapping at the Gemini-North and South as well as the Subaru Telescope that are presently on-going (plus, spectral mapping with the Hubble Space Telescope and IFU observations at VLT, pending approval). Together with the farIR data, we can iteratively bootstrap line diagnostics so that we can determine the (Te, ne) profiles completely self-consistently without any prior assumptions.

  1. Evaluation of Costus afer Ker Gawl. in vitro anti-inflammatory activity and its chemical constituents identified using gas chromatography-mass spectrometry analysis

    Directory of Open Access Journals (Sweden)

    Godswill Nduka Anyasor

    2015-02-01

    Full Text Available Objective: To evaluate the anti-inflammatory activity of a tropical African medicinal plant, Costus afer (C. afer Ker Gawl. in vitro and identify the chemical constituents in the most active fraction. Methods: Hexane, ethyl acetate, n-butanol and aqueous fractions obtained through successive solvent partitioning of 70% methanolic leaf or stem extracts of C. afer were subjected to in vitro anti-inflammatory screening assays viz. anti-denaturation of protein, stabilization of human red blood cell (HRBC membrane against hypotonicity-induced hemolysis and anti-proteinase activities. Diclofenac sodium was used as a standard drug. The chemical compounds in the most active fraction were determined using quantitative phytochemical and gas chromatography-mass spectrometry (GC/MS analytical methods, comparing the mass spectra of the GC/MS identified compounds with those of the National Institute of Standards and Technology (NIST database library. Results: The hexane fraction of C. afer leaf (HFCAL with an IC50 of 33.36 μg/mL, 33 μg/mL and 212.77 μg/mL exhibited the highest anti-denaturation of protein, stabilization of HRBC membrane and anti-proteinase activities respectively when compared with other test fractions. The GC/MS identified compounds in HFCAL known to possess anti-inflammatory property were terpenoids (naphthalene 1,6-dimethyl-; naphthalene 2,3-dimethyl-; phytol, phenol [phenol 2,4-bis(1,1-dimethylethyl], coumaran [2(4H-benzofuranone, 5,6,7,7a-tetrahydro-4, 4,7atrimethyl and fatty acids (pentadecanoic acid; hexadecanoic acid; n-hexadecanoic acid; 9,12-octadecanoic acid-methyl ester; 9,12,15 octadecatrienoic acid and cis-vaccenic acid]. Conclusion: Therefore, HFCAL could be considered as a potential source of antiinflammatory agents for herbal formulation or pharmaceutical drug production.

  2. Enhancement of flexural stress and reduction of surface roughness through changes in gas concentrations during high-speed chemical dry thinning of silicon wafers

    Energy Technology Data Exchange (ETDEWEB)

    Kim, I.J. [Department of Advanced Materials Science and Engineering, Sungkyunkwan University, Suwon, Gyeonggi-do 440-746 (Korea, Republic of); Lee, N.-E., E-mail: nelee@skku.edu [Department of Advanced Materials Science and Engineering, Sungkyunkwan University, Suwon, Gyeonggi-do 440-746 (Korea, Republic of); SKKU Advanced Institute of Nanotechnology (SAINT), Sungkyunkwan University, Suwon, Gyeonggi-do 440-746 (Korea, Republic of)

    2013-11-29

    Three-dimensional packaging using through silicon via of ultra-thin Si wafers requires very low residual stress. In this study, the effects of additive gases on root-mean-squared (RMS) surface roughness and flexural stress of Si wafers thinned by the high-speed chemical dry etching (CDE) process were investigated. Direct injection of Ar with NO gases into the reactor during the supply of F radicals from NF{sub 3} remote plasmas was effective in increasing the Si wafer thinning rate and in reducing significant surface roughness. Reduced RMS surface roughness of the thinned Si wafer resulted in high flexural stress. The additional injection of N{sub 2} gas further decreased the surface roughness of the thinned Si wafer and, in turn, increased the flexural stress of the thinned wafers. By adjusting the Ar flow and Q ratio, Q(N{sub 2}) = N{sub 2}/(N{sub 2} + NO), Si wafer thinning rates as high as 23 μm/min and RMS surface roughnesses as small as 10 nm were obtained. Furthermore, it was found that the surface roughness is a critical factor affecting the flexural stress of the thinned Si wafer. These results indicate that the high-speed CDE process using F radicals and directly injected NO/Ar/N{sub 2} gases can be applied to ultra-thin Si wafer thinning with controlled RMS surface roughness and low residual stress. - Highlights: • Chemical dry etching of Si wafers affected by N{sub 2}/(N{sub 2} + NO) flow ratio. • Increasing the flow ratio decreased the thinning rate and surface temperature. • Si wafer thinning rate as high as 23 mm/ min was obtained. • Root mean square surface roughness value drastically decreased from 91 to 1.21 nm. • The strength value of flexural stress increased from 162 to 756 MPa.

  3. Short communication. Effects of adding different protein and carbohydrates sources on chemical composition and in vitro gas production of corn stover silage

    Directory of Open Access Journals (Sweden)

    L. A. Mejía-Uribe

    2013-05-01

    Full Text Available The use of protein-rich by-products based in swine manure (SM, poultry waste (PW or chemicals compounds as urea (U, as well as energy products like molasses (M and bakery by-product (BB, is a viable method to produce good quality silage. In addition, the use of a bacterial additive can improve the fermentation characteristics of silage. The objective of this study was to determine chemical composition, in vitro gas production (GP and dry matter disappearance (DMd, using different sources of protein and energy in silage. The silages were made using SM, PW or U as protein sources and M or BB as energy source, with corn stover and with or without a bacterial additive. The organic matter (OM content was higher (p < 0.001 in silages with UBB, UM and SMBB compared with the rest of the treatments; meanwhile crude protein content was higher (p < 0.001 in silages with U. The addition of a bacterial additive increased (p < 0.05 OM content and decreased (p < 0.05 fiber content. Total GP was higher (p < 0.05 in silages containing BB, but DMd was higher (p < 0.05 in silages with U and SMBB. The inclusion of a bacterial additive decreased (p < 0.05 GP and DMd. The use of alternative sources of protein such as poultry and swine manure or urea, and of by-products of sugar industry and bakery is an alternative for silages based on corn stover. The results show that when properly formulated, the silages can provide more than 16% of crude protein and have DMd values above 60%.

  4. Measuring the magnetic-field-dependent chemical potential of a low-density three-dimensional electron gas in n -GaAs and extracting its magnetic susceptibility

    Science.gov (United States)

    Roy Choudhury, Aditya N.; Venkataraman, V.

    2016-01-01

    We report the magnetic-field-dependent shift of the electron chemical potential in bulk, n -type GaAs at room temperature. A transient voltage of ˜100 μ V was measured across a Au-Al2O3 -GaAs metal-oxide-semiconductor capacitor in a pulsed magnetic field of ˜6 T . Several spurious voltages larger than the signal that had plagued earlier researchers performing similar experiments were carefully eliminated. The itinerant magnetic susceptibility of GaAs is extracted from the experimentally measured data for four different doping densities, including one as low as 5 ×1015cm-3 . Though the susceptibility in GaAs is dominated by Landau-Peierls diamagnetism, the experimental technique demonstrated can be a powerful tool for extracting the total free carrier magnetization of any electron system. The method is also virtually independent of the carrier concentration and is expected to work better in the nondegenerate limit. Such experiments had been successfully performed in two-dimensional electron gases at cryogenic temperatures. However, an unambiguous report on having observed this effect in any three-dimensional electron gas has been lacking. We highlight the 50 year old literature of various trials and discuss the key details of our experiment that were essential for its success. The technique can be used to unambiguously yield only the itinerant part of the magnetic susceptibility of complex materials such as magnetic semiconductors and hexaborides, and thus shed light on the origin of ferromagnetism in such systems.

  5. Simultaneous determination of cis-permethrin and trans-permethrin in rat plasma and brain tissue using gas chromatography-negative chemical ionization mass spectrometry.

    Science.gov (United States)

    Hooshfar, Shirin; Gullick, Darren R; Linzey, Michael R; Mortuza, Tanzir; Abdel Rahman, Mona Hamdy; Rogers, Clinton A; Bruckner, James V; White, Catherine A; Bartlett, Michael G

    2017-08-15

    A sensitive method for the simultaneous determination of cis-permethrin (cis-PERM) and trans-permethrin (trans-PERM) in small volumes (100μL) of rat plasma and brain homogenate was developed, using a liquid-liquid extraction for sample preparation and gas chromatography-negative chemical ionization mass spectrometry (GCNCI-MS) for detection. Quantitation of trace levels of the insecticide in small volumes of biological samples is essential to support toxicokinetic studies in small animals. There are currently no validated methods in the literature for determining cis-PERM and trans- PERM in volumes as low as 100μL of rat plasma or brain homogenate. The method provided a linear range of 0.2-150.0ng/mL for analytes in both matrices. The intra- and inter-batch precision (as% relative standard deviation, RSD) and accuracy (as relative error, RE) of the method were better than 20% at the limit of quantitation and better than 15% across the remaining linear range. The validated method was applied in a toxicokinetic study in adult rats with oral dosing of 10mg/kg (cis-PERM) and 100mg/kg (trans-PERM) in corn oil. cis-PERM and trans- PERM were monitored in rat plasma and brain tissue samples for 6h following dosing, and both analytes were detected in all plasma and brain samples. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Weight-of-evidence environmental risk assessment of dumped chemical weapons after WWII along the Nord-Stream gas pipeline in the Bornholm Deep.

    Science.gov (United States)

    Sanderson, Hans; Fauser, Patrik; Thomsen, Marianne; Larsen, Jørn Bo

    2012-05-15

    In connection with installation of two natural gas pipelines through the Baltic Sea between Russia and Germany, there has been concern regarding potential re-suspension of historically dumped chemical warfare agents (CWA) in a nearby dump site and the potential environmental risks associated. 192 sediment and 11 porewater samples were analyzed for CWA residues, both parent and metabolites in 2008 and 2010 along the pipeline corridor next to the dump site. Macrozoobenthos and background variables were also collected and compared to the observed CWA levels and predicted potential risks. Detection frequencies and levels of intact CWA found were low, whereas CWA metabolites were more frequently found. Re-suspension of CWA residue-containing sediment from installation of the pipelines contributes marginally to the overall background CWA residue exposure and risk along the pipeline route. The multivariate weight-of-evidence analysis showed that physical and background parameters of the sediment were of higher importance for the biota than observed CWA levels. Copyright © 2012 Elsevier B.V. All rights reserved.

  7. Acid-yield measurements of the gas-phase ozonolysis of ethene as a function of humidity using Chemical Ionisation Mass Spectrometry (CIMS

    Directory of Open Access Journals (Sweden)

    K. E. Leather

    2012-01-01

    Full Text Available Gas-phase ethene ozonolysis experiments were conducted at room temperature to determine formic acid yields as a function of relative humidity (RH using the integrated EXTreme RAnge chamber-Chemical Ionisation Mass Spectrometry technique, employing a CH3I ionisation scheme. RHs studied were <1, 11, 21, 27, 30 % and formic acid yields of (0.07±0.01 and (0.41±0.07 were determined at <1 % RH and 30 % RH respectively, showing a strong water dependence. It has been possible to estimate the ratio of the rate coefficient for the reaction of the Criegee biradical, CH2OO with water compared with decomposition. This analysis suggests that the rate of reaction with water ranges between 1×10−12–1×10−15 cm3 molecule−1 s−1 and will therefore dominate its loss with respect to bimolecular processes in the atmosphere. Global model integrations suggest that this reaction between CH2OO and water may dominate the production of HC(OOH in the atmosphere.

  8. FROM THE COLOR-MAGNITUDE DIAGRAM OF {omega} CENTAURI AND (SUPER-)ASYMPTOTIC GIANT BRANCH STELLAR MODELS TO A GALACTIC PLANE PASSAGE GAS PURGING CHEMICAL EVOLUTION SCENARIO

    Energy Technology Data Exchange (ETDEWEB)

    Herwig, Falk; VandenBerg, Don A.; Navarro, Julio F. [Department of Physics and Astronomy, University of Victoria, P.O. Box 3055, Victoria, BC V8W 3P6 (Canada); Ferguson, Jason [Department of Physics, Wichita State University Wichita, KS 67260 (United States); Paxton, Bill, E-mail: fherwig@uvic.ca, E-mail: vandenbe@uvic.ca, E-mail: jason.ferguson@wichita.edu, E-mail: paxton@kitp.ucsb.edu [KITP/UC Santa Barbara, Santa Barbara, CA 93106 (United States)

    2012-10-01

    We have investigated the color-magnitude diagram of {omega} Centauri and find that the blue main sequence (bMS) can be reproduced only by models that have a helium abundance in the range Y = 0.35-0.40. To explain the faint subgiant branch of the reddest stars ('MS-a/RG-a' sequence), isochrones for the observed metallicity ([Fe/H] Almost-Equal-To -0.7) appear to require both a high age ({approx}13 Gyr) and enhanced CNO abundances ([CNO/Fe] Almost-Equal-To 0.9). Y Almost-Equal-To 0.35 must also be assumed in order to counteract the effects of high CNO on turnoff colors and thereby to obtain a good fit to the relatively blue turnoff of this stellar population. This suggests a short chemical evolution period of time (<1 Gyr) for {omega} Cen. Our intermediate-mass (super-)asymptotic giant branch (AGB) models are able to reproduce the high helium abundances, along with [N/Fe] {approx}2 and substantial O depletions if uncertainties in the treatment of convection are fully taken into account. These abundance features distinguish the bMS stars from the dominant [Fe/H] Almost-Equal-To -1.7 population. The most massive super-AGB stellar models (M{sub ZAMS} {>=} 6.8 M{sub Sun }, M{sub He,core} {>=} 1.245 M{sub Sun }) predict too large N enhancements, which limit their role in contributing to the extreme populations. In order to address the observed central concentration of stars with He-rich abundance, we show here quantitatively that highly He- and N-enriched AGB ejecta have particularly efficient cooling properties. Based on these results and on the reconstruction of the orbit of {omega} Cen with respect to the Milky Way, we propose the Galactic plane passage gas purging scenario for the chemical evolution of this cluster. The bMS population formed shortly after the purging of most of the cluster gas as a result of the passage of {omega} Cen through the Galactic disk (which occurs today every {approx}40 Myr for {omega} Cen) when the initial mass function of the

  9. Thermal desorption-gas chromatography-mass spectrometry methods and strategy for screening of chemical warfare agents, their precursors and degradation products in environmental, industrial and waste samples

    NARCIS (Netherlands)

    Terzic, O.

    2016-01-01

    The Organisation for the Prohibition of Chemical Weapons (OPCW) is the international organisation set to oversee the implementation of the Chemical Weapons Convention treaty that prohibits the development, production, acquisition, stockpiling, retention, transfer or use of chemical weapons by States

  10. Gas phase ion chemistry

    CERN Document Server

    Bowers, Michael T

    1979-01-01

    Gas Phase Ion Chemistry, Volume 2 covers the advances in gas phase ion chemistry. The book discusses the stabilities of positive ions from equilibrium gas-phase basicity measurements; the experimental methods used to determine molecular electron affinities, specifically photoelectron spectroscopy, photodetachment spectroscopy, charge transfer, and collisional ionization; and the gas-phase acidity scale. The text also describes the basis of the technique of chemical ionization mass spectrometry; the energetics and mechanisms of unimolecular reactions of positive ions; and the photodissociation

  11. Potential of atmospheric pressure chemical ionization source in gas chromatography tandem mass spectrometry for the screening of urinary exogenous androgenic anabolic steroids

    Energy Technology Data Exchange (ETDEWEB)

    Raro, M.; Portolés, T.; Pitarch, E.; Sancho, J.V.; Hernández, F. [Research Institute for Pesticides and Water, University Jaume I, E-12071 Castellón (Spain); Garrostas, L. [Bioanalysis Research Group, IMIM, Hospital del Mar Medical Research Institute, Doctor Aiguader 88, 08003 Barcelona (Spain); Marcos, J.; Ventura, R.; Segura, J. [Bioanalysis Research Group, IMIM, Hospital del Mar Medical Research Institute, Doctor Aiguader 88, 08003 Barcelona (Spain); Department of Experimental and Health Sciencies, Universitat Pompeu Fabra, Doctor Aiguader 88, 08003 Barcelona (Spain); Pozo, O.J., E-mail: opozo@imim.es [Bioanalysis Research Group, IMIM, Hospital del Mar Medical Research Institute, Doctor Aiguader 88, 08003 Barcelona (Spain)

    2016-02-04

    The atmospheric pressure chemical ionization (APCI) source for gas chromatography-mass spectrometry analysis has been evaluated for the screening of 16 exogenous androgenic anabolic steroids (AAS) in urine. The sample treatment is based on the strategy currently applied in doping control laboratories i.e. enzymatic hydrolysis, liquid–liquid extraction (LLE) and derivatization to form the trimethylsilyl ether-trimethylsilyl enol ether (TMS) derivatives. These TMS derivatives are then analyzed by gas chromatography tandem mass spectrometry using a triple quadrupole instrument (GC-QqQ MS/MS) under selected reaction monitoring (SRM) mode. The APCI promotes soft ionization with very little fragmentation resulting, in most cases, in abundant [M + H]{sup +} or [M + H-2TMSOH]{sup +} ions, which can be chosen as precursor ions for the SRM transitions, improving in this way the selectivity and sensitivity of the method. Specificity of the transitions is also of great relevance, as the presence of endogenous compounds can affect the measurements when using the most abundant ions. The method has been qualitatively validated by spiking six different urine samples at two concentration levels each. Precision was generally satisfactory with RSD values below 25 and 15% at the low and high concentration level, respectively. Most the limits of detection (LOD) were below 0.5 ng mL{sup −1}. Validation results were compared with the commonly used method based on the electron ionization (EI) source. EI analysis was found to be slightly more repeatable whereas lower LODs were found for APCI. In addition, the applicability of the developed method has been tested in samples collected after the administration of 4-chloromethandienone. The highest sensitivity of the APCI method for this compound, allowed to increase the period in which its administration can be detected. - Highlights: • APCI source has been evaluated for the screening of 16 exogenous AAS in urine. • Suitable

  12. Morphological Characteristic, Chemical Composition and In Vitro Gas Production Fermentation Profiles of Alfalfa Hay at Early Bud Stage Harvested at Different Cuts and in the Afternoon and in the Morning

    OpenAIRE

    Hadi Ghorbani Farmad; Abasali Naserian; Reza Valizadeh; Mojtaba Yari

    2015-01-01

    There are a little information about nutritive value of alfalfa harvested at different cuts and different cutting time (morning and afternoon) in semiarid climate condition of north east of Iran. Effects of different harvesting cuts and cutting time (6 A.M and 6 P.M) of alfalfa hay at early bud stage on chemical composition and in vitro gas production fermentation profiles were studied in this experiment. Alfalfa hay that harvested at spring cuts had more CP and Ash content, gas production, M...

  13. Correlation of RP-1 Fuel Properties with Chemical Composition using Two-Dimensional Gas Chromatography with Time-of-Flight Mass Spectrometry followed by Partial Least Squares Regression Analysis

    Science.gov (United States)

    2013-09-01

    analyst has some control over the chemical composition, see Table 1) as well as to assess the performance of “field” fuels [5-9]. Gas...the GC × GC – TOFMS instrument via a 7683B auto - injector (Agilent Technologies, 7 Palo Alto, CA, USA). The following experimental conditions were...applied. The auto - injector was set to a 1 μl injection, using a 200:1 split injection with helium carrier gas. Acetone was used for the solvent

  14. Synthesis of chemically-modified single-walled carbon nanotubes by counter-current ammonia gas injection into the induction thermal plasma process

    Science.gov (United States)

    Shahverdi, Ali

    Pristine single-walled carbon nanotubes (SWCNTs) are poorly dispersible and insoluble in many solvents and need to be chemically modified prior to their use in many applications. This work is focused on the investigation of the synthesis of chemically modified SWCNTs material through an in situ approach. The main objectives of the presented research are: 1) to explore the in situ chemical process during the synthesis of SWCNT and 2) to closely examine the effect of a reactive environment on SWCNTs. Effects of the catalyst type and content on the SWCNTs final product, synthesized by induction thermal plasma (ITP), were studied to replace toxic cobalt (Co) in the feedstock. In this regard, three different catalyst mixtures (i.e. Ni-Y2O3, Ni-Co-Y2O3, and Ni-Mo-Y2O3) were used. Experimental results showed that the catalyst type affects the quality of the SWCNT final product. Similar quality SWCNTs can be produced when the same amount of Co was replaced by Ni. Moreover, the results observed in this experimental work were further explained by thermodynamic calculation results. Thermogravimetry (TG) was used throughout the work to characterize the SWCNTs product. TG was firstly standardized by studying the effects of three main instrumental parameters (temperature ramp, TR, initial mass of the sample, IM, and gas flow rate, FR) on the Tonset and full-width half maximum (FWHM) obtained from TG and derivative TG graphs of carbon black, respectively. Therefore, a two-level factorial statistical design was performed. The statistical analysis showed that the effect of TR, IM, and to a lower extent, FR, is significant on FWHM and insignificant on Tonset. A methodology was then developed based upon the SWCNTs synthesis using the ITP system, through an in situ chemistry approach. Ammonia (NH3) was selected and counter-currently injected into the ITP reactor at three different flow rates and by four different nozzle designs. Numerical simulation indicated a better mixing of NH3 in

  15. Gas-Phase Molecular Structure of Nopinone and its Water Complexes Studied by Microwave Fourier Transform Spectroscopy and Quantum Chemical Calculations

    Science.gov (United States)

    Neeman, Elias M.; Aviles Moreno, Juan-Ramon; Huet, T. R.

    2016-06-01

    Several monoterpenes and terpenoids are biogenic volatile organic compounds which are emitted in the atmosphere, where they react with OH, O_3 and NO_x etc. to give rise to several oxidation and degradation products. Their decomposition products are a major source of secondray organic aerosol (SOA). Spectroscopic information on these atmospheric species is still very scarce. The rotational spectrum of nopinone (C_9H14O) one of the major oxidation products of β-pinene, and of its water complexes were recorded in a supersonic jet expansion with a Fourier transform microwave spectrometer over the range 2-20 GHz. The structure of the unique stable conformer of the nopinone was optimized using density functional theory and ab initio calculations. Signals from the parent species and from the 13C and 18O isotopomers were observed in natural abundance. A magnetic hyperfine structure associated with the pairs of hydrogen nuclei in the methylene groups was observed and modeled. The structures of several conformers of the nopinone-water complexes with up to three molecules of water were optimized using density functional theory and ab initio calculations. The energetically most stable of calculated conformers were observed and anlyzed. The rotational and centrifugal distortion parameters were fitted to a Watson's Hamiltonian in the A-reduction. The present work provides the first spectroscopic characterization of nopinone and its water complexes in the gas phase. A. Calogirou, B.R. Larsen, and D. Kotzias, Atmospheric Environment, 33, 1423-1439, (1999) P. Paasonen et al., Nat. Geosci., 6, 438-442 (2013) D. Zhang and R. Zhang The Journal of Chemical Physics, 122, 114308, (2005) R. Winterhalter et al. Journal of Atmospheric Chemistry, 35, 165-197, (2000)

  16. Production of carbon nanotubes: Chemical vapor deposition synthesis from liquefied petroleum gas over Fe-Co-Mo tri-metallic catalyst supported on MgO

    Energy Technology Data Exchange (ETDEWEB)

    Setyopratomo, P., E-mail: puguh-sptm@yahoo.com; Wulan, Praswasti P. D. K., E-mail: wulanmakmur@gmail.com; Sudibandriyo, M., E-mail: msudib@che.ui.ac.id [Chemical Engineering Department, University of Indonesia, Depok Campus, Depok 16424 (Indonesia)

    2016-06-03

    Carbon nanotubes were produced by chemical vapor deposition method to meet the specifications for hydrogen storage. So far, the various catalyst had been studied outlining their activities, performances, and efficiencies. In this work, tri-metallic catalyst consist of Fe-Co-Mo supported on MgO was used. The catalyst was prepared by wet-impregnation method. Liquefied Petroleum Gas (LPG) was used as carbon source. The synthesis was conducted in atmospheric fixed bed reactor at reaction temperature range 750 – 850 °C for 30 minutes. The impregnation method applied in this study successfully deposed metal component on the MgO support surface. It found that the deposited metal components might partially replace Mg(OH){sub 2} or MgO molecules in their crystal lattice. Compare to the original MgO powder; it was significant increases in pore volume and surface area has occurred during catalyst preparation stages. The size of obtained carbon nanotubes is ranging from about 10.83 nm OD/4.09 nm ID up to 21.84 nm OD/6.51 nm ID, which means that multiwall carbon nanotubes were formed during the synthesis. Yield as much as 2.35 g.CNT/g.catalyst was obtained during 30 minutes synthesis and correspond to carbon nanotubes growth rate of 0.2 μm/min. The BET surface area of the obtained carbon nanotubes is 181.13 m{sup 2}/g and around 50 % of which is contributed by mesopores. Micropore with half pore width less than 1 nm contribute about 10% volume of total micro and mesopores volume of the carbon nanotubes. The existence of these micropores is very important to increase the hydrogen storage capacity of the carbon nanotubes.

  17. Identification and quantification of seven volatile n-nitrosamines in cosmetics using gas chromatography/chemical ionization-mass spectrometry coupled with head space-solid phase microextraction.

    Science.gov (United States)

    Choi, Na Rae; Kim, Yong Pyo; Ji, Won Hyun; Hwang, Geum-Sook; Ahn, Yun Gyong

    2016-01-01

    An analytical method was developed for the identification and quantification of seven volatile n-nitrosamines (n-nitrosodimethylamine [NDMA], n-nitrosoethylmethylamine [NMEA], n-nitrosodiethylamine [NDEA], n-nitrosodipropylamine [NDPA], n-nitrosodibutylamine [NDBA], n-nitrosopiperidine [NPIP], and n-nitrosopyrrolidine [NPYR]) in water insoluble cream type cosmetics. It was found that the head space-solid phase microextraction (HS-SPME) was suitable for extraction, clean up, and pre-concentration of n-nitrosamines in the cream type samples so its optimal conditions were investigated. Identification and quantification of n-nitrosamines using single quadrupole gas chromatography/mass spectrometry (GC/MS) in chemical ionization (CI) mode were carried out with accurate mass measurements. Their accurate masses of protonated molecular ions were obtained within 10 mDa of the theoretical masses when sufficiently high signal was acquired from the unique calibration method using mass and isotope accuracy. For the method validation of quantification, spiking experiments were carried out to determine the linearity, recovery, and method detection limit (MDL) using three deuterated internal standards. The average recovery was 79% within 20% relative standard deviation (RSD) at the concentration of 50 ng/g. MDLs ranged from 0.46 ng/g to 36.54 ng/g, which was satisfactory for the directive limit of 50 ng/g proposed by the European Commission (EC). As a result, it was concluded that the method could be provided for the accurate mass screening, confirmation, and quantification of n-nitrosamines when applied to cosmetic inspection. Copyright © 2015 Elsevier B.V. All rights reserved.

  18. New rht-Type Metal-Organic Frameworks Decorated with Acylamide Groups for Efficient Carbon Dioxide Capture and Chemical Fixation from Raw Power Plant Flue Gas.

    Science.gov (United States)

    Guo, Xiangyang; Zhou, Zhen; Chen, Cong; Bai, Junfeng; He, Cheng; Duan, Chunying

    2016-11-23

    The combination of carbon dioxide capture and chemical fixation in a one-pot process is attractive for both chemists and governments. The cycloaddition of carbon dioxide with epoxides to produce cyclic carbonates is an atomic economical reaction without any side products. By incorporating acylamide to enhance the binding affinity toward CO 2 , new rht-type metal-organic frameworks (MOFs) with (3, 28) and (3, 24) connected units were constructed. Zn-NTTA with two types of dinuclear paddlewheel building blocks-{Zn 2 (OOC - ) 4 } and {Zn 2 (OOC - ) 3 }. The high uptake of CO 2 (115.6 cm 3 ·g -1 ) and selectivity over N 2 (30:1) at 273 K indicated that these MOFs are excellent candidates for postcombustion CO 2 isolation and capture. The MOFs feature high catalytic activity, rapid dynamics of transformation and excellent stability with turnover number (TON) values up to 110 000 per paddlewheel unit after 5 × 6 rounds of recyclability, demonstrating that they are promising heterogeneous catalysts for CO 2 cyclo-addition to value-added cyclic carbonates. The cycloaddition of epoxides with wet gases demonstrated that the catalyst activity was not affected by moisture, and the indices of the PXRD patterns of the bulk samples filtered from the catalytic reaction revealed that the crystallinities were maintained. The combination of the selective capture and catalytic transformation in one-pot enables the use of a negative-cost feedstock-raw power plant flue gas without any separation and purification-revealing the broad prospects of such MOFs for practical CO 2 fixation in industry.

  19. Genetic Diversity Evaluation of Moringa Oleifera, Lam From East Flores Regency Using Marker Random Amplified Polymorphic DNA (RAPD) and Its Relationship to Chemical Composition and in Vitro Gas Production

    OpenAIRE

    Kleden, Markus Miten; Soetanto, Hendrawan; Kusmartono, Kusmartono; Kuswanto, Kuswanto

    2017-01-01

    The research objective was to evaluate the genetic diversity of Moringa oleifera, Lam (MO) and its relationship to chemical composition and in vitro gas production (IVGP). Fresh MO leaves were kept frozen in ice gels pack until laboratory analysis. Four methods applied: RAPD marker for measuring DNA concentration and purification; Kjeldhal and HPLC for analysing proximate and amino acid (AA) composition; and IVGP. MO's four distinct morphology found: green, red, reddish green and aromatic gre...

  20. Zeolite Membrane Reactor for Water Gas Shift Reaction for Hydrogen Production

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Jerry Y.S. [Arizona State Univ., Mesa, AZ (United States)

    2013-01-29

    Gasification of biomass or heavy feedstock to produce hydrogen fuel gas using current technology is costly and energy-intensive. The technology includes water gas shift reaction in two or more reactor stages with inter-cooling to maximize conversion for a given catalyst volume. This project is focused on developing a membrane reactor for efficient conversion of water gas shift reaction to produce a hydrogen stream as a fuel and a carbon dioxide stream suitable for sequestration. The project was focused on synthesizing stable, hydrogen perm-selective MFI zeolite membranes for high temperature hydrogen separation; fabricating tubular MFI zeolite membrane reactor and stable water gas shift catalyst for membrane reactor applications, and identifying experimental conditions for water gas shift reaction in the zeolite membrane reactor that will produce a high purity hydrogen stream. The project has improved understanding of zeolite membrane synthesis, high temperature gas diffusion and separation mechanisms for zeolite membranes, synthesis and properties of sulfur resistant catalysts, fabrication and structure optimization of membrane supports, and fundamentals of coupling reaction with separation in zeolite membrane reactor for water gas shift reaction. Through the fundamental study, the research teams have developed MFI zeolite membranes with good perm-selectivity for hydrogen over carbon dioxide, carbon monoxide and water vapor, and high stability for operation in syngas mixture containing 500 part per million hydrogen sulfide at high temperatures around 500°C. The research teams also developed a sulfur resistant catalyst for water gas shift reaction. Modeling and experimental studies on the zeolite membrane reactor for water gas shift reaction have demonstrated the effective use of the zeolite membrane reactor for production of high purity hydrogen stream.

  1. Preliminary screening: Technical and economic assessment of synthesis gas to fuels and chemicals with emphasis on the potential for biomass-derived syngas

    Energy Technology Data Exchange (ETDEWEB)

    Spath, P. L. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Dayton, D. C. [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2003-12-01

    This report reviews the many syngas to products processes and summarizes the technology status and description, chemistry, catalysts, reactors, gas cleanliness requirements, process and environmental performances, and economics.

  2. Correlation of rocket propulsion fuel properties with chemical composition using comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry followed by partial least squares regression analysis

    Energy Technology Data Exchange (ETDEWEB)

    Kehimkar, Benjamin; Hoggard, Jamin C.; Marney, Luke C.; Billingsley, Matthew; Fraga, Carlos G.; Bruno, Thomas J.; Synovec, Robert E.

    2014-01-31

    There is an increased need to more fully assess and control the composition of kerosene based rocket propulsion fuels, namely RP-1 and RP-2. In particular, it is crucial to be able to make better quantitative connections between the following three attributes: (a) fuel performance, (b) fuel properties (flash point, density, kinematic viscosity, net heat of combustion, hydrogen content, etc) and (c) the chemical composition of a given fuel (i.e., specific chemical compounds and compound classes present as a result of feedstock blending and processing). Indeed, recent efforts in predicting fuel performance through modeling put greater emphasis on detailed and accurate fuel properties and fuel compositional information. In this regard, advanced distillation curve (ADC) metrology provides improved data relative to classical boiling point and volatility curve techniques. Using ADC metrology, data obtained from RP-1 and RP-2 fuels provides compositional variation information that is directly relevant to predictive modeling of fuel performance. Often, in such studies, one-dimensional gas chromatography (GC) combined with mass spectrometry (MS) is typically employed to provide chemical composition information. Building on approaches using GC-MS, but to glean substantially more chemical composition information from these complex fuels, we have recently studied the use of comprehensive two dimensional gas chromatography combined with time-of-flight mass spectrometry (GC × GC - TOFMS) to provide chemical composition data that is significantly richer than that provided by GC-MS methods. In this report, by applying multivariate data analysis techniques, referred to as chemometrics, we are able to readily model (correlate) the chemical compositional information from RP-1 and RP-2 fuels provided using GC × GC - TOFMS, to the fuel property information such as that provided by the ADC method and other specification properties. We anticipate that this new chemical analysis

  3. Correlation of rocket propulsion fuel properties with chemical composition using comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry followed by partial least squares regression analysis.

    Science.gov (United States)

    Kehimkar, Benjamin; Hoggard, Jamin C; Marney, Luke C; Billingsley, Matthew C; Fraga, Carlos G; Bruno, Thomas J; Synovec, Robert E

    2014-01-31

    There is an increased need to more fully assess and control the composition of kerosene-based rocket propulsion fuels such as RP-1. In particular, it is critical to make better quantitative connections among the following three attributes: fuel performance (thermal stability, sooting propensity, engine specific impulse, etc.), fuel properties (such as flash point, density, kinematic viscosity, net heat of combustion, and hydrogen content), and the chemical composition of a given fuel, i.e., amounts of specific chemical compounds and compound classes present in a fuel as a result of feedstock blending and/or processing. Recent efforts in predicting fuel chemical and physical behavior through modeling put greater emphasis on attaining detailed and accurate fuel properties and fuel composition information. Often, one-dimensional gas chromatography (GC) combined with mass spectrometry (MS) is employed to provide chemical composition information. Building on approaches that used GC-MS, but to glean substantially more chemical information from these complex fuels, we recently studied the use of comprehensive two dimensional (2D) gas chromatography combined with time-of-flight mass spectrometry (GC×GC-TOFMS) using a "reversed column" format: RTX-wax column for the first dimension, and a RTX-1 column for the second dimension. In this report, by applying chemometric data analysis, specifically partial least-squares (PLS) regression analysis, we are able to readily model (and correlate) the chemical compositional information provided by use of GC×GC-TOFMS to RP-1 fuel property information such as density, kinematic viscosity, net heat of combustion, and so on. Furthermore, we readily identified compounds that contribute significantly to measured differences in fuel properties based on results from the PLS models. We anticipate this new chemical analysis strategy will have broad implications for the development of high fidelity composition-property models, leading to an

  4. Application of ZnO single-crystal wire grown by the thermal evaporation method as a chemical gas sensor for hydrogen sulfide.

    Science.gov (United States)

    Park, N K; Lee, S Y; Lee, T J

    2011-01-01

    A zinc oxide single-crystal wire was synthesized for application as a gas-sensing material for hydrogen sulfide, and its gas-sensing properties were investigated in this study. The gas sensor consisted of a ZnO thin film as the buffer layer and a ZnO single-crystal wire. The ZnO thin film was deposited over a patterning silicon substrate with a gold electrode by the CFR method. The ZnO single-crystal wire was synthesized over the ZnO thin film using zinc and activated carbon as the precursor for the thermal evaporation method at 800 degrees C. The electrical properties of the gas sensors that were prepared for the growth of ZnO single-crystal wire varied with the amount of zinc contained in the precursor. The charged current on the gas sensors increased with the increasing amount of zinc in the precursor. It was concluded that the charged current on the gas sensors was related to ZnO single-crystal wire growth on the silicon substrate area between the two electrodes. The charged current on the gas sensor was enhanced when the ZnO single-crystal wire was exposed to a H2S stream. The experimental results obtained in this study confirmed that a ZnO single-crystal wire can be used as a gas sensor for H2S.

  5. THE MATHEMATIC SIMULATION PROCESS OF TOXIC GAS WICKING INTO THE ROOM THROUGH THE VENTILATION SYSTEM ON THE TERRITORY OF CHEMICALLY HAZARDOUS OBJECT DURING THE EMERGENCY

    Directory of Open Access Journals (Sweden)

    M. M. Biliaiev

    2011-05-01

    Full Text Available The 3D-numerical model to simulate the toxic gas dispersion on industrial sites and inflow of toxic gas into the industrial room after accident ejections was developed. The model is based on the K-gradient transport model and equation of potential flow. The results of numerical experiment are presented.

  6. U.S. Army Chemical Corps Historical Studies, Gas Warfare in World War I: The 5th Division Captures Frapelle, August 1918

    Science.gov (United States)

    1958-03-01

    fire had averaged 380 rounds per day across the 25-kilometer front, incldin; two gas bonbardments of French artillery positions, at La Cense de Chapis ...attacks in the sector until 15 August, when the division reported approximately 15b gas shells on battery positionsin the vicinity of Le Chapis , and 30

  7. Carbon Nanotube Gas Sensor Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Sensing gas molecules is critical to environmental monitoring, control of chemical processes, space missions as well as agricultural and medical applications....

  8. Verification of the correlation between the {sup 210} Pb and the chemical composition of the incrustations found on gas pipelines and the implication on radiological protection; Verificacao da correlacao entre a atividade de {sup 210}Pb e a composicao quimica de incrustacoes encontradas em linhas de gas e a implicacao em protecao radiologica

    Energy Technology Data Exchange (ETDEWEB)

    Gomes, Franciane Martins de Carvalho

    2004-07-01

    In the last decades, the occurrence of solid residual deposits, known as black powder, in natural-gas pipelines, gathering systems and compression equipment from gas industries has raised increasing regulatory concerns in terms of radiological protection. Concerns are also raised about the waste disposal and management of the radioactive residues eventually produced. Recent projections indicate a significant increase in the production of natural-gas and its products, due to a growing commercial demand, which leads to the production of huge amounts of residues. Thus, more information is needed in order to allow a preliminary evaluation of the radiological profile of this type of industry. In black powder residues, the most prevalent radioisotope is {sup 210}Pb. The present work aimed to investigate the correlation between the chemical composition of the residue and the concentration of {sup 210}Pb, in black powder samples collected at Bacia de Campos, in the State of Rio de Janeiro, Brazil. The main objective was to generate information to regulatory authorities, to the National Commission of Nuclear Energy (CNEN) and to companies that produce natural-gas, such as PETROBRAS. Based on the information, the gas producing companies could elaborate radiological protection guidelines, and also decide about the need for implementation of a waste management program at the installation. The samples of black powder analyzed at the present work have confirmed the existence of such correlation between the concentration of {sup 210}Pb and chemical parameters. In principle, the present results make the use of such correlation feasible for preliminary evaluations of the {sup 210}Pb levels in natural-gas installations. On the other hand, given the geographic limitations, a broader study is recommended, in order to evaluate the investigated correlation, which could be used as a guiding tool for the Brazilian industry of production and processing of natural-gas.(author)

  9. Real-time gas and particle-phase organic acids measurement at a forest site using chemical ionization high-resolution time-of-flight mass spectrometry during BEACHON-RoMBAS

    Science.gov (United States)

    Yatavelli, L. R.; Stark, H.; Kimmel, J.; Cubison, M.; Day, D. A.; Jayne, J.; Thornton, J. A.; Worsnop, D. R.; Jimenez, J. L.

    2011-12-01

    We present measurement of organic acids in gas and aerosol particles conducted in a ponderosa pine forest during July and August 2011 as part of the Bio-hydro-atmosphere interactions of Energy, Aerosols, Carbon, H2O, Organics & Nitrogen - Rocky Mountain Biogenic Aerosol Study (BEACHON-RoMBAS; http://tinyurl.com/BEACHON-RoMBAS). The measurement technique is based on chemical ionization, high-resolution time-of-flight mass spectrometry and utilizes a Micro-Orifice Volatilization Impactor [MOVI-CI-HR-ToFMS; Yatavelli et al., AS&T, 2010] to collect sub-micron aerosol particles while simultaneously measuring the gas-phase composition. The collected particles are subsequently analyzed by temperature-programmed thermal desorption. The reagent ion chosen for this campaign is the acetate anion (CH3C(O)O-, m/z 59), which reacts selectively via proton transfer with compounds that are stronger gas-phase acids than acetic acid [Veres et al., IJMS, 2008]. Preliminary results show substantial particle-phase concentrations of biogenic oxidation products such as hydroxy-glutaric acid, pinic acid, pinonic acid, and hydroxy-pinonic acid along with numerous lower and higher molecular weight organic acids. Correlations of the organic acid concentrations with meteorological, gas and aerosol parameters measured by other instrumentation are investigated in order to understand the formation, transformation, and partitioning of gas and particle-phase organic acids in a forested environment dominated by terpenes.

  10. Determination of N-nitrosamines in processed meats by liquid extraction combined with gas chromatography-methanol chemical ionisation/mass spectrometry.

    Science.gov (United States)

    Scheeren, Marina Bergoli; Sabik, Hassan; Gariépy, Claude; Terra, Nelcindo Nascimento; Arul, Joseph

    2015-01-01

    A simple, accessible and reproducible method was developed and validated as an alternative for the determination of nine volatile N-nitrosamines (NAs) in meat products, using a low volume of organic solvent and without requiring specific apparatus, offering the possibility of practical implementation in routine laboratories. The NAs were extracted with dichloromethane followed by a clean-up with phosphate buffer solution (pH 7.0). The extracts were analysed by gas chromatography-chemical ionisation/mass spectrometry (GC-CI/MS) in positive-ion mode using methanol as reagent. Limits of detection and quantification, recovery and reproducibility were determined for all NAs (N-nitrosodimethylamine, N-nitrosomethylethylamine, N-nitrosodiethylamine, N-nitrosopyrrolidine, N-nitrosodipropylamine, N-nitrosomorpholine, N-nitrosopiperidine, N-nitrosodibutylamine and N-nitrosodiphenylamine). Satisfactory sensitivity and selectivity were obtained even without concentrating the extract by solvent evaporation, avoiding the loss of the nine NAs studied. Limits of detection ranged from 0.15 to 0.37 µg kg(-1), whereas limits of quantification ranged from 0.50 to 1.24 µg kg(-1). Recoveries calculated in cooked ham that had been spiked at 10 and 100 µg kg(-1) were found to be between 70% and 114% with an average relative standard deviation of 13.2%. The method was successfully used to analyse five samples of processed meat products on the day of purchase and 7 days later (after storage at 4°C). The most abundant NAs found in the analysed products were N-nitrosodipropylamine and N-nitrosopiperidine, which ranged from 1.75 to 34.75 µg kg(-1) and from 1.50 to 4.26 µg kg(-1), respectively. In general, an increase in the level of NAs was observed after the storage period. The proposed method may therefore be a useful tool for food safety control once it allows assessing the profile and the dietary intake of NAs in food over time.

  11. Validation of a qualitative screening method for pesticides in fruits and vegetables by gas chromatography quadrupole-time of flight mass spectrometry with atmospheric pressure chemical ionization

    Energy Technology Data Exchange (ETDEWEB)

    Portolés, T. [Research Institute for Pesticides and Water, University Jaume I, 12071 Castellón (Spain); RIKILT Institute of Food Safety, Wageningen University and Research Centre, Akkermaalsbos 2, 6708 WB Wageningen (Netherlands); Mol, J.G.J. [RIKILT Institute of Food Safety, Wageningen University and Research Centre, Akkermaalsbos 2, 6708 WB Wageningen (Netherlands); Sancho, J.V.; López, Francisco J. [Research Institute for Pesticides and Water, University Jaume I, 12071 Castellón (Spain); Hernández, F., E-mail: hernandf@uji.es [Research Institute for Pesticides and Water, University Jaume I, 12071 Castellón (Spain)

    2014-08-01

    Highlights: • Applicability of GC-(APCI)QTOF MS as new tool for wide-scope screening of pesticides in fruits and vegetables demonstrated. • Validation of screening method according to SANCO/12571/2013. • Detection of the pesticides based on the presence of M+·/MH+ in most cases. • Screening detection limit 0.01 mg kg{sup −1} for 77% of the pesticides investigated. • Successful identification at 0.01 mg kg{sup −1} for 70% of the pesticides/matrix combinations. - Abstract: A wide-scope screening method was developed for the detection of pesticides in fruit and vegetables. The method was based on gas chromatography coupled to a hybrid quadrupole time-of-flight mass spectrometer with an atmospheric pressure chemical ionization source (GC-(APCI)QTOF MS). A non-target acquisition was performed through two alternating scan events: one at low collision energy and another at a higher collision energy ramp (MS{sup E}). In this way, both protonated molecule and/or molecular ion together with fragment ions were obtained in a single run. Validation was performed according to SANCO/12571/2013 by analysing 20 samples (10 different commodities in duplicate), fortified with a test set of 132 pesticides at 0.01, 0.05 and 0.20 mg kg{sup −1}. For screening, the detection was based on one diagnostic ion (in most cases the protonated molecule). Overall, at the 0.01 mg kg{sup −1} level, 89% of the 2620 fortifications made were detected. The screening detection limit for individual pesticides was 0.01 mg kg{sup −1} for 77% of the pesticides investigated. The possibilities for identification according to the SANCO criteria, requiring two ions with a mass accuracy ≤±5 ppm and an ion-ratio deviation ≤±30%, were investigated. At the 0.01 mg kg{sup −1} level, identification was possible for 70% of the pesticides detected during screening. This increased to 87% and 93% at the 0.05 and 0.20 mg kg{sup −1} level, respectively. Insufficient sensitivity for the second

  12. Full automation of solid-phase microextraction/on-fiber derivatization for simultaneous determination of endocrine-disrupting chemicals and steroid hormones by gas chromatography-mass spectrometry.

    Science.gov (United States)

    Yang, Lihua; Lan, Chongyu; Liu, Hongtao; Dong, Jun; Luan, Tiangang

    2006-09-01

    A fully automated method using direct immersion solid-phase microextraction (DI-SPME) and headspace on-fiber silylation for simultaneous determinations of exogenous endocrine-disrupting chemicals (EDCs) and endogenous steroid hormones in environmental aqueous and biological samples by gas chromatography-mass spectrometry (GC-MS) was developed and compared to a previously reported manual method. Three EDCs and five endocrine steroid hormones were selected to evaluate this method. The extraction and derivatization time, ion strength, pH, incubation temperature, sample volume, and extraction solvent were optimized. Satisfactory results in pure water were obtained in terms of linearity of calibration curve (R2=0.9932-1.0000), dynamic range (3 orders of magnitude), precision (4-9% RSD), as well as LOD (0.001-0.124 microg L(-1)) and LOQ (0.004-0.413 microg L(-1)), respectively. These results were similar to those obtained using a manual method, and moreover, the precision was improved. This new automated method has been applied to the determinations of target compounds in real samples used in our previous study on a manual SPME method. Exogenous octylphenol (OP), technical grade nonylphenol (t-NP), and diethylstilbestrol (DES) were at 0.13, 5.03, and 0.02 microg L(-1) in river water and 3.76, 13.25, and 0.10 microg L(-1) in fish serum, respectively. Natural steroid hormones estrone (E1), 17beta-estradiol (E2), and testosterone (T) were at 0.19, 0.11, and 6.22 microg L(-1) in river water; and in female fish serum E1, E2, and pregnenolone (PREG) were at 1.37, 1.95, and 6.25 microg L(-1), respectively. These results were confirmed by the manual method. The developed fully automated SPME and on-fiber silylation procedures showed satisfactory applications in environmental analysis and the performances show improved precision and a reduced analysis time compared to the manual method.

  13. Gas and Gas Pains

    Science.gov (United States)

    ... Gas and gas pains Symptoms & causes Diagnosis & treatment Advertisement Mayo Clinic does not endorse companies or products. ... a Job Site Map About This Site Twitter Facebook Google YouTube Pinterest Mayo Clinic is a not- ...

  14. Succinic acid production derived from carbohydrates: An energy and greenhouse gas assessment of a platform chemical toward a bio-based economy

    NARCIS (Netherlands)

    Cok, B.|info:eu-repo/dai/nl/371750679; Tsiropoulos, I.; Roes, A.L.|info:eu-repo/dai/nl/303022388; Patel, M.K.|info:eu-repo/dai/nl/18988097X

    2014-01-01

    Bio-based succinic acid has the potential to become a platform chemical, i.e. a key building block for deriving both commodity and high-value chemicals, which makes it an attractive compound in a bio-based economy. A few companies and industrial consortia have begun to develop its industrial

  15. A multi-residue method for pesticides analysis in green coffee beans using gas chromatography-negative chemical ionization mass spectrometry in selective ion monitoring mode.

    Science.gov (United States)

    Pizzutti, Ionara R; de Kok, Andre; Dickow Cardoso, Carmem; Reichert, Bárbara; de Kroon, Marijke; Wind, Wouter; Weber Righi, Laís; Caiel da Silva, Rosselei

    2012-08-17

    In this study, a new gas chromatography-mass spectrometry (GC-MS) method, using the very selective negative chemical ionization (NCI) mode, was developed and applied in combination with a modified acetonitrile-based extraction method (QuEChERS) for the analysis of a large number of pesticide residues (51 pesticides, including isomers and degradation products) in green coffee beans. A previously developed integrated sample homogenization and extraction method for both pesticides and mycotoxins analysis was used. An homogeneous slurry of green milled coffee beans and water (ratio 1:4, w/w) was prepared and extracted with acetonitrile/acetic acid (1%), followed by magnesium sulfate addition for phase separation. Aliquots from this extract could be used directly for LC-MS/MS analysis of mycotoxins and LC-amenable pesticides. For GC-MS analysis, a further clean-up was necessary. C18- and PSA-bonded silica were tested as dispersive solid-phase extraction (d-SPE) sorbents, separate and as a mixture, and the best results were obtained using C18-bonded silica. For the optimal sensitivity and selectivity, GC-MS detection in the NCI-selected ion monitoring (SIM) mode had to be used to allow the fast analysis of the difficult coffee bean matrix. The validation was performed by analyzing recovery samples at three different spike concentrations, 10, 20 and 50 μg kg(-1), with 6 replicates (n=6) at each concentration. Linearity (r(2)) of calibration curves, estimated instrument and method limits of detection and limits of quantification (LOD(i), LOD(m), LOQ(i) and LOQ(m), respectively), accuracy (as recovery %), precision (as RSD%) and matrix effects (%) were determined for each individual pesticide. From the 51 analytes (42 parent pesticides, 4 isomers and 5 degradation products) determined by GC-MS (NCI-SIM), approximately 76% showed average recoveries between 70-120% and 75% and RSD ≤ 20% at the lowest spike concentration of 10 μg kg(-1), the target method LOQ. For the

  16. Hydrogen production with CO 2 capture by coupling steam reforming of methane and chemical-looping combustion: Use of an iron-based waste product as oxygen carrier burning a PSA tail gas

    Science.gov (United States)

    Ortiz, María; Gayán, Pilar; de Diego, Luis F.; García-Labiano, Francisco; Abad, Alberto; Pans, Miguel A.; Adánez, Juan

    In this work it is analyzed the performance of an iron waste material as oxygen carrier for a chemical-looping combustion (CLC) system. CLC is a novel combustion technology with the benefit of inherent CO 2 separation that can be used as a source of energy for the methane steam reforming process (SR). The tail gas from the PSA unit is used as fuel in the CLC system. The oxygen carrier behaviour with respect to gas combustion was evaluated in a continuous 500 W th CLC prototype using a simulated PSA off-gas stream as fuel. Methane or syngas as fuel were also studied for comparison purposes. The oxygen carrier showed enough high oxygen transport capacity and reactivity to fully convert syngas at 880 °C. However, lower conversion of the fuel was observed with methane containing fuels. An estimated solids inventory of 1600 kg MW th -1 would be necessary to fully convert the PSA off-gas to CO 2 and H 2O. An important positive effect of the oxygen carrier-to-fuel ratio up to 1.5 and the reactor temperature on the combustion efficiency was found. A characterization of the calcined and after-used particles was carried out showing that this iron-based material can be used as oxygen carrier in a CLC plant since particles maintain their properties (reactivity, no agglomeration, high durability, etc.) after more than 111 h of continuous operation.

  17. Gas Composition Sensor for Natural Gas and Biogas

    NARCIS (Netherlands)

    Boersma, A.; Sweelsen, J.; Blokland, H.

    2016-01-01

    The calorific value of energetic gasses is an important parameter in the quality assessment of gas steams, and can be calculated from the chemical composition of the gas. An array of capacitive sensor electrodes was developed, each functionalized with a gas responsive coating to measure the

  18. Biotechnology for renewable chemicals

    DEFF Research Database (Denmark)

    Borodina, Irina; Kildegaard, Kanchana Rueksomtawin; Jensen, Niels Bjerg

    2014-01-01

    The majority of the industrial organic chemicals are derived from fossil sources. With the oil and gas resources becoming limiting, biotechnology offers a sustainable alternative for production ofchemicals from renewable feedstocks. Yeast is an attractive cell factory forsustainable production...

  19. U.S. Army Chemical Corps Historical Studies Gas Warfare in World War I: The 26th Division East of the Meuse, September 1918

    Science.gov (United States)

    1960-10-01

    and France were collected near Neufchatoau in the Vosges and set to work coiv structing an AEF training center* They were in uniform, had rifles, and...not distinguish between the projector 34 attack and the later gas fire* The Regimental Gas Officer of the 103rd Infantry thought no more than 300...tack, and thought they had been fired from the west edge of Bois Jura» about 34 DOR, 26th Div, 9-11 May; Urs, CO 52nd Brig to CG 26th Div, 10 May

  20. Stationary gas turbines of all performance classes in a flexible power supply operation; Stationaere Gasturbinen. Gasturbinen aller Leistungsklassen im flexiblen Netzbetrieb

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2012-07-01

    Within the 8th VDI conference from 20th to 21st November, 2012, at the Electoral Palace Mainz (Mainz, Federal Republic of Germany), the following lectures were held: (1) Introduction of the twin-shaft industrial gas turbine SGT-300 (C. Engelbert); (2) The new 6 MW gas turbine for the power generation (Michael Blaswich); (3) Successful increase of the breakeven performance of the SGT5-2000E based on the Si3D blading (S. Kliesch); (4) Advanced Condition Monitoring at E.ON (T. Burridge-Oakland); (5) Experiences from 10 years of monitoring at gas turbine power plants (D. Therkon); (6) Operating experience with GE's Intercooled LMS100 (B. Mehmetli); (7) First long-term experience with the operational flexibility of the SGT5-8000H (C. Scholz); (8) Plant concept and operational concept with small gas turbines for the heat production and power generation meeting the demands in line with market conditions (D. Seibt); (9) Operational experiences with remote diagnostic services in the power range up to 25 MW (H. Berghaus); (10) European regulations having an influence on design and operation of gas turbines - An overview (M. Zelinger); (11) Future concepts for fuel flexibility - Experience with hydrogen-based fuels (R. Lachner); (12) Requirements from functional safety to gas turbines - Importance and benefit for gas turbine development (G. Weber); (13) Standard for the procurement of gas turbines: ISO 19859 Gas turbine applications - requirements for power generation (I. Rattmann); (14) Future projects for fuel flexibility in the test phase: Natural gas / hydrogen co-firing (G. Fruechtel); (15) Measures for the reduction of emissions at Siemens V64.3 gas turbines (K. Jordan); (16) Flexible operation of the SGT5-4000F by fuel transfers in a wide load range (J. Meisl); (17) Technical features of the GT26 gas turbine to improve the flexibility of the combined cycle system KA26 (W. Reiter).

  1. Health impacts of chemical irritants used for crowd control: a systematic review of the injuries and deaths caused by tear gas and pepper spray

    Directory of Open Access Journals (Sweden)

    Rohini J. Haar

    2017-10-01

    Full Text Available Abstract Background Chemical irritants used in crowd control, such as tear gases and pepper sprays, are generally considered to be safe and to cause only transient pain and lacrimation. However, there are numerous reports that use and misuse of these chemicals may cause serious injuries. We aimed to review documented injuries from chemical irritants to better understand the morbidity and mortality associated with these weapons. Methods We conducted a systematic review using PRISMA guidelines to identify injuries, permanent disabilities, and deaths from chemical irritants worldwide between January 1, 1990 and March 15, 2015. We reviewed injuries to different body systems, injury severity, and potential risk factors for injury severity. We also assessed region, context and quality of each included article. Results We identified 31 studies from 11 countries. These reported on 5131 people who suffered injuries, two of whom died and 58 of whom suffered permanent disabilities. Out of 9261 total injuries, 8.7% were severe and required professional medical management, while 17% were moderate and 74.3% were minor. Severe injuries occurred to all body systems, with the majority of injuries impacting the skin and eyes. Projectile munition trauma caused 231 projectile injuries, with 63 (27% severe injuries, including major head injury and vision loss. Potentiating factors for more severe injury included environmental conditions, prolonged exposure time, and higher quantities of chemical agent in enclosed spaces. Conclusions Although chemical weapons may have a limited role in crowd control, our findings demonstrate that they have significant potential for misuse, leading to unnecessary morbidity and mortality. A nuanced understanding of the health impacts of chemical weapons and mitigating factors is imperative to avoiding indiscriminate use of chemical weapons and associated health consequences.

  2. Health impacts of chemical irritants used for crowd control: a systematic review of the injuries and deaths caused by tear gas and pepper spray.

    Science.gov (United States)

    Haar, Rohini J; Iacopino, Vincent; Ranadive, Nikhil; Weiser, Sheri D; Dandu, Madhavi

    2017-10-19

    Chemical irritants used in crowd control, such as tear gases and pepper sprays, are generally considered to be safe and to cause only transient pain and lacrimation. However, there are numerous reports that use and misuse of these chemicals may cause serious injuries. We aimed to review documented injuries from chemical irritants to better understand the morbidity and mortality associated with these weapons. We conducted a systematic review using PRISMA guidelines to identify injuries, permanent disabilities, and deaths from chemical irritants worldwide between January 1, 1990 and March 15, 2015. We reviewed injuries to different body systems, injury severity, and potential risk factors for injury severity. We also assessed region, context and quality of each included article. We identified 31 studies from 11 countries. These reported on 5131 people who suffered injuries, two of whom died and 58 of whom suffered permanent disabilities. Out of 9261 total injuries, 8.7% were severe and required professional medical management, while 17% were moderate and 74.3% were minor. Severe injuries occurred to all body systems, with the majority of injuries impacting the skin and eyes. Projectile munition trauma caused 231 projectile injuries, with 63 (27%) severe injuries, including major head injury and vision loss. Potentiating factors for more severe injury included environmental conditions, prolonged exposure time, and higher quantities of chemical agent in enclosed spaces. Although chemical weapons may have a limited role in crowd control, our findings demonstrate that they have significant potential for misuse, leading to unnecessary morbidity and mortality. A nuanced understanding of the health impacts of chemical weapons and mitigating factors is imperative to avoiding indiscriminate use of chemical weapons and associated health consequences.

  3. Gas dynamics of ethylene oxide during sterilization

    Science.gov (United States)

    Zhu, Z.; Matthews, I. P.; Wang, C.

    1999-07-01

    This article reports a case study of the dynamics of ethylene oxide gas during sterilization using a microwave spectrometer. A diffusion equation is used to describe the processes of gas penetration, gas sorption, and chemical reactions. The three processes, although mathematically related, may be solved separately under simplified assumptions. This permits the prediction of gas penetration and sorption as well as the effect of chemical reactions upon the gas concentration for loads of differing dimensions and densities.

  4. Chemical effects of sulfur dioxide co-injection with carbon dioxide on the reservoir and caprock mineralogy and permeability in depleted gas fields

    NARCIS (Netherlands)

    Bolourinejad, Panteha; Herber, Rien

    The most suitable candidates for subsurface storage of CO2 are depleted gas fields. Their ability to retain CO2 can however be influenced by the effect which impurities in the CO2 stream (e.g. H2S and SO2) have on the mineralogy of reservoir and seal. In order to investigate the effects of SO2 we

  5. Acid Gas Removal from Natural Gas with Alkanolamines

    DEFF Research Database (Denmark)

    Sadegh, Negar

    Some 40 % of the world’s remaining gas reserves are sour or acid, containing large quantities of CO2 and H2S and other sulfur compounds. Many large oil and gas fields have more than 10 mole % CO2 and H2S content. In the gas processing industry absorption with chemical solvents has been used...... commercially for the removal of acid gas impurities from natural gas. Alkanolamines, simple combinations of alcohols and ammonia, are the most commonly used category of chemical solvents for acid gas capture. This Ph.D. project is aboutthermodynamics of natural gas cleaning process with alkanolamines...... pressure on acid gas solubility was also quantitatively investigated through both experimental and modeling approaches....

  6. Application of gas chromatography-mass spectrometry and gas chromatography-tandem mass spectrometry to the analysis of chemical warfare samples, found to contain residues of the nerve agent sarin, sulphur mustard and their degradation products.

    Science.gov (United States)

    Black, R M; Clarke, R J; Read, R W; Reid, M T

    1994-02-25

    Samples of clothing, grave debris, soil and munition fragments, collected from the Kurdish village of Birjinni, were analysed by GC-MS with selected ion monitoring (SIM) for traces of chemical warfare agents and their degradation products. Positive analyses were confirmed, where possible, by full scan mass spectra, or at low concentrations by additional GC-MS-SIM analysis using chemical ionisation, by higher resolution GC-MS-SIM, and by GC-tandem mass spectrometry using multiple reaction monitoring. Sulphur mustard and/or thiodiglycol were detected in six soil samples; isopropyl methylphosphonic acid and methylphosphonic acid, the hydrolysis products of the nerve agent sarin, were detected in six different soil samples. Trace amounts of intact sarin were detected on a painted metal fragment associated with one of these soil samples. The results demonstrate the application of different GC-MS and GC-MS-MS techniques to the unequivocal identification of chemical warfare agent residues in the environment at concentrations ranging from low ppb to ppm (w/w). They also provide the first documented unequivocal identification of nerve agent residues in environmental samples collected after a chemical attack.

  7. Non-Dispersive Infrared Gas Measurement: Editorial Review

    National Research Council Canada - National Science Library

    2012-01-01

    ..., applied physicists, chemists, material scientists in gas, chemical, biological, and medical sensors to have a comprehensive understanding of the development of non-dispersive infrared gas sensors...

  8. Detection and reduction of diffuse liquid and gas emissions in chemical and petrochemical industries; Ermittlung und Verminderung diffuser fluessiger und gasfoermiger Emissionen in der chemischen und petrochemischen Industrie

    Energy Technology Data Exchange (ETDEWEB)

    Koeppke, K.E. [Witten-Herdecke Univ. gGmbH, Witten (Germany). Inst. fuer Umwelttechnik und Management; Cuhls, C. [Halle-Wittenberg Univ., Halle (Germany). Inst. fuer Umwelttechnik

    2002-09-01

    In order to improve environmental protection, VOC emissions from diffuse sources are of growing importance. For the first time in Germany the present research report gives a detailed presentation of: constructive measures for the avoidance and reduction of diffuse emissions, adequate assembling procedures for equipments and installations, technical possibilities of leak detection and, different methods for the estimation of total emissions from chemical and petrochemical production plants. On the basis of own investigations and monitoring measures taken at various plants of chemical and petrochemical industries different measuring techniques for leak detection as well as methods for the estimation of total emissions from diffuse sources are analysed and their limits are described. (orig.)

  9. More user-friendly phosphines? Molecular structure of methylphosphine and its adduct with borane, studied by gas-phase electron diffraction and quantum chemical calculations

    OpenAIRE

    Noble-Eddy, Robert; Masters, Sarah L. (nee Hinchley); Rankin, David W. H.; Wann, Derek A.; Khater, Brahim; Guillemin, Jean-Claude

    2008-01-01

    The molecular structures of methylphosphine (CH3PH2) and methylphosphine-borane (CH3PH2·BH3) have been determined from gas-phase electron diffraction data and rotational constants, employing the SARACEN method. The experimental geometric parameters generally showed a good agreement with those obtained using ab initio calculations and previous microwave spectroscopy studies. In order to assess the accuracy of the calculated structures a range of ab initio methods were used, including the CCSD(...

  10. Quantum chemical estimation of sorption/desorption of H{sub 2} and H{sub 2}O (gas) at the plasma-wall interface

    Energy Technology Data Exchange (ETDEWEB)

    Nagasaki, Shinya; Tsushima, Satoru; Tanaka, Masataka; Umemura, Yasuhiro [Tokyo Univ. (Japan). Faculty of Engineering

    1996-10-01

    By using MOPAC Code, we estimated the charge density of SiO{sub 2}-Al{sub 2}O{sub 3}-SiO{sub 2} metal oxide. We could find that the such quantum chemical calculation is a fruitful tool for understanding the plasma-wall interactions from the microscopic point of view. (author)

  11. Design and Assessment of an IGCC Concept with CO2 Capture for the Co-Generation of Electricity and Substitute Natural Gas

    Directory of Open Access Journals (Sweden)

    Timo Blumberg

    2015-12-01

    Full Text Available The focus of this work is on the modeling and the thermodynamic evaluation of an integrated gasification combined cycle (IGCC for the co-production of electricity and substitute natural gas (SNG. At first, an IGCC with CO2 capture for electricity generation is analyzed. Coal-derived syngas is conditioned in a water gas shift unit (WGS, and cleaned in an acid gas removal system including carbon capture. Eventually, the conditioned syngas is fed to a combined cycle. A second case refers to a complete conversion of syngas to SNG in an integrated commercial methanation unit (TREMP™ process, Haldor Topsøe, Kgs. Lyngby, Denmark. Due to the exothermic reaction, a gas recycling and intercooling stages are necessary to avoid catalyst damage. Based on a state-of-the-art IGCC plant, an optimal integration of the synthetic process considering off-design behavior was determined. The raw syngas production remains constant in both cases, while one shift reactor in combination with a bypass is used to provide an adequate H2/CO-ratio for the methanation unit. Electricity has to be purchased from the grid in order to cover the internal consumption when producing SNG. The resulting heat and power distributions of both cases are discussed.

  12. Room temperature hydrogen gas sensor based on ZnO nanorod arrays grown on a SiO{sub 2}/Si substrate via a microwave-assisted chemical solution method

    Energy Technology Data Exchange (ETDEWEB)

    Hassan, J.J., E-mail: j1j2h72@yahoo.com [Nano-Optoelectronics Research and Technology Laboratory (N.O.R), School of Physics, Universiti Sains Malaysia, Penang 11800 (Malaysia); Department of Physics, College of Science, University of Basrah, Basrah (Iraq); Mahdi, M.A. [Nano-Optoelectronics Research and Technology Laboratory (N.O.R), School of Physics, Universiti Sains Malaysia, Penang 11800 (Malaysia); Department of Physics, College of Science, University of Basrah, Basrah (Iraq); Chin, C.W.; Abu-Hassan, H. [Nano-Optoelectronics Research and Technology Laboratory (N.O.R), School of Physics, Universiti Sains Malaysia, Penang 11800 (Malaysia); Hassan, Z., E-mail: zai@usm.my [Nano-Optoelectronics Research and Technology Laboratory (N.O.R), School of Physics, Universiti Sains Malaysia, Penang 11800 (Malaysia)

    2013-01-05

    Highlights: Black-Right-Pointing-Pointer Highly quality ZnO nanorods arrays were grown on SiO{sub 2} substrate using chemical solution. Black-Right-Pointing-Pointer We use PVA-Zn(OH){sub 2} nanocomposites as seed layer to grow ZnO nanorods. Black-Right-Pointing-Pointer ZnO nanorods arrays show good sensitivity at room temperature to H{sub 2} gas. - Abstract: High-quality zinc oxide (ZnO) nanorod arrays were grown on a silicon dioxide (SiO{sub 2}/Si) substrate via a microwave irradiation-assisted chemical solution method. The SiO{sub 2}/Si substrate was seeded with polyvinyl alcohol-Zn (OH){sub 2} nanocomposites prior to the complete growth of ZnO nanorods through a chemical solution method. X-ray diffraction, field-emission scanning electron microscope, and photoluminescence results indicated the high quality of the produced ZnO nanorods. The hydrogen (H{sub 2})-sensing capabilities of the ZnO nanorod arrays were investigated at room temperature (RT), and the sensitivity was 294% in the presence of 1000 ppm of H{sub 2}. The sensing measurements for H{sub 2} gas at various temperatures (25-250 Degree-Sign C) were repeatable for over 100 min. The sensor exhibited a sensitivity of 1100% at 250 Degree-Sign C upon exposure to 1000 ppm of H{sub 2}. Hysteresis was observed in the sensor at different H{sub 2} concentrations at different temperatures. Moreover, the response times ranged from 60 to 25 s over the range of operating temperatures from RT to 250 Degree-Sign C.

  13. Taking advantage of natural gas for the energy and fuel supply for the Brazilian energy intensive industries: aluminium, siderurgy and chemical products; O aproveitamento do gas natural para o suprimento de energia e combustivel para as industrias energointensivas brasileiras: aluminio, siderurgia e produtos quimicos

    Energy Technology Data Exchange (ETDEWEB)

    Romero, Jose Fernando Leme [Universidade Sao Paulo (USP), SP (Brazil). Programa Interunidades de Pos Graduacao em Energia]. E-mail: romero@iee.usp.br

    2006-07-01

    This work intend to analyse natural gas success in the energy generation for siderurgy industry, aluminium and basic organic chemical products. There is a necessity to inform economy-policy and the energy policy relationship, showing the Brazilian State actuation in the economic development mechanism and electric energy supply. Cast iron and iron, metals and no-irons are considered as electric intensives and energy intensives industry activities. These are sectors that produce merchandises for exportation and spend many quantities of electrical energy for each produced physical unity of law aggregate economic value. (author)

  14. Analysis of Odorants in Marking Fluid of Siberian Tiger (Panthera tigris altaica) Using Simultaneous Sensory and Chemical Analysis with Headspace Solid-Phase Microextraction and Multidimensional Gas Chromatography-Mass Spectrometry-Olfactometry.

    Science.gov (United States)

    Soso, Simone B; Koziel, Jacek A

    2016-06-25

    Scent-marking is the most effective method of communication in the presence or absence of a signaler. These complex mixtures result in a multifaceted interaction triggered by the sense of smell. The objective was to identify volatile organic compound (VOC) composition and odors emitted by total marking fluid (MF) associated with Siberian tigers (Panthera tigris altaica). Siberian tiger, an endangered species, was chosen because its MF had never been analyzed. Solid phase microextraction (SPME) for headspace volatile collection combined with multidimensional gas chromatography-mass spectrometry-olfactometry for simultaneous chemical and sensory analyses were used. Thirty-two VOCs emitted from MF were identified. 2-acetyl-1-pyrroline, the sole previously identified compound responsible for the "characteristic" odor of P. tigris MF, was identified along with two additional compounds confirmed with standards (urea, furfural) and four tentatively identified compounds (3-methylbutanamine, (R)-3-methylcyclopentanone, propanedioic acid, and 3-hydroxybutanal) as being responsible for the characteristic aroma of Siberian tiger MF. Simultaneous chemical and sensory analyses improved characterization of scent-markings and identified compounds not previously reported in MF of other tiger species. This research will assist animal ecologists, behaviorists, and zookeepers in understanding how scents from specific MF compounds impact tiger and wildlife communication and improve management practices related to animal behavior. Simultaneous chemical and sensory analyses is applicable to unlocking scent-marking information for other species.

  15. Analysis of Odorants in Marking Fluid of Siberian Tiger (Panthera tigris altaica Using Simultaneous Sensory and Chemical Analysis with Headspace Solid-Phase Microextraction and Multidimensional Gas Chromatography-Mass Spectrometry-Olfactometry

    Directory of Open Access Journals (Sweden)

    Simone B. Soso

    2016-06-01

    Full Text Available Scent-marking is the most effective method of communication in the presence or absence of a signaler. These complex mixtures result in a multifaceted interaction triggered by the sense of smell. The objective was to identify volatile organic compound (VOC composition and odors emitted by total marking fluid (MF associated with Siberian tigers (Panthera tigris altaica. Siberian tiger, an endangered species, was chosen because its MF had never been analyzed. Solid phase microextraction (SPME for headspace volatile collection combined with multidimensional gas chromatography-mass spectrometry-olfactometry for simultaneous chemical and sensory analyses were used. Thirty-two VOCs emitted from MF were identified. 2-acetyl-1-pyrroline, the sole previously identified compound responsible for the “characteristic” odor of P. tigris MF, was identified along with two additional compounds confirmed with standards (urea, furfural and four tentatively identified compounds (3-methylbutanamine, (R-3-methylcyclopentanone, propanedioic acid, and 3-hydroxybutanal as being responsible for the characteristic aroma of Siberian tiger MF. Simultaneous chemical and sensory analyses improved characterization of scent-markings and identified compounds not previously reported in MF of other tiger species. This research will assist animal ecologists, behaviorists, and zookeepers in understanding how scents from specific MF compounds impact tiger and wildlife communication and improve management practices related to animal behavior. Simultaneous chemical and sensory analyses is applicable to unlocking scent-marking information for other species.

  16. U.S. Army Chemical Corps Historical Studies, Gas Warfare in World War I: The 26th Division in the Aisne-Marne Campaign, July 1918

    Science.gov (United States)

    1957-01-01

    little effect . On the llth, "La Vole du Chatel roceived an intense burst of shells...at 16s00 o’olock, /50_ blue cross gas shells being used in the...over the back areas, but Vaux,, Bois .de la Brigade Marine Lucy le Bocage , the Paris ,Metz read, and t• entire *.front lines of the 51st Brigade have...Hosford CO 2nd Bn 103rd, 6 Aug (Box 47, 33.6)0 "Owing to the effect of our annihilating fire, the Americans streamed.". back into Belleau woods and

  17. Direct determination of a polymeric hindered amine light stabilizer in polypropylene by thermal desorption-gas chromatography assisted by in-line chemical reaction

    OpenAIRE

    Keiichiro, Kimura; Toshio, Yoshikawa; Yoshihiko, Taguchi; Yasuyuki, Ishida; Hajime, Ohtani; Shin, Tsuge

    2000-01-01

    A method to determine a polymeric hindered amine light stabilizer (HALS), Adekastab LA-68LD, in polypropylene (PP) was developed on the basis of reactive thermal desorption-gas chromatography (RTD-GC) in the presence of an organic alkali, tetramethylammonium hydroxide [(CH3)4NOH, TMAH]. RTD-GC using 25% TMAH methanol solution allowed the sensitive determination of HALS in PP as methylated fragments on the resulting chromatogram with a 4.8% relative standard deviation without the need for an...

  18. The impact of co-firing sunflower husk pellets with coal in a boiler on the chemical composition of flue gas

    Directory of Open Access Journals (Sweden)

    Zajemska Monika

    2017-01-01

    The calculations showed that the most important influence on the composition of the flue gas from the co-firing process of coal with sunflower husk has a composition of biomass. It should be emphasized that the results of computer simulations obtained by the authors have an useful aspect and can be applied in practice, especially to the analysis of the mechanism of chloride corrosion which is possible to occur due to the chlorine content in the biomass. They may also be useful for evaluating the unburned hydrocarbons produced by combustion of rich mixtures (λ < 1.0.

  19. α-pinene photooxidation under controlled chemical conditions – Part 1: Gas-phase composition in low- and high-NO_x environments

    OpenAIRE

    Eddingsaas, N. C.; Loza, C. L.; Yee, L. D.; Seinfeld, J. H.; Wennberg, P. O.

    2012-01-01

    The OH oxidation of α-pinene under both low- and high-NOx environments was studied in the Caltech atmospheric chambers. Ozone was kept low to ensure OH was the oxidant. The initial α-pinene concentration was 20–50 ppb to ensure that the dominant peroxy radical pathway under low-NOx conditions is reaction with HO2, produced from reaction of OH with H2O2, and under high-NOx conditions, reactions with NO. Here we present the gas-phase results observed. Under low-NOx conditio...

  20. α-pinene photooxidation under controlled chemical conditions – Part 1: Gas-phase composition in low- and high-NOx environments

    OpenAIRE

    P. O. Wennberg; J. H. Seinfeld; L. D. Yee; N. C. Eddingsaas; C. L. Loza

    2012-01-01

    The OH oxidation of α-pinene under both low- and high-NOx environments was studied in the Caltech atmospheric chambers. Ozone was kept low to ensure OH was the oxidant. The initial α-pinene concentration was 20–50 ppb to ensure that the dominant peroxy radical pathway under low-NOx conditions is reaction with HO2 and under high-NOx conditions, reactions with NO. Here we present the gas-phase results observed. Under low-NOx conditions the main first generation oxidation products are α-pinene h...

  1. U.S. Army Chemical Corps Historical Studies, Gas Warfare in World War I: The 92nd Division in the Marbache Sector, October 1918

    Science.gov (United States)

    1959-12-01

    material that was available at 4 That the French thought highly of them is evident in Cable P-1335, Pershing to CofS Washington, D.C., 19 Jun, and Ltr...LirceJ they fear gas more than ’Boche Germans’." 8 On 21 August advance infantry elements of the 92nd arrived in the St. Die sector, high in the Vosges ...Civil Authority in order to free ground for agricul- ture," and begin the training programs that had been planned earlier that month.135 The thought

  2. Climatic, biological, and land cover controls on the exchange of gas-phase semivolatile chemical pollutants between forest canopies and the atmosphere.

    Science.gov (United States)

    Nizzetto, Luca; Perlinger, Judith A

    2012-03-06

    An ecophysiological model of a structured broadleaved forest canopy was coupled to a chemical fate model of the air-canopy exchange of gaseous semivolatile chemicals to dynamically assess the short-term (hours) and medium term (days to season) air-canopy exchange and the influence of biological, climatic, and land cover drivers on the dynamics of the air-canopy exchange and on the canopy storage for airborne semivolatile pollutants. The chemical fate model accounts for effects of short-term variations in air temperature, wind speed, stomatal opening, and leaf energy balance, all as a function of layer in the canopy. Simulations showed the potential occurrence of intense short/medium term re-emission of pollutants having log K(OA) up to 10.7 from the canopy as a result of environmental forcing. In addition, relatively small interannual variations in seasonally averaged air temperature, canopy biomass, and precipitation can produce relevant changes in the canopy storage capacity for the chemicals. It was estimated that possible climate change related variability in environmental parameters (e.g., an increase of 2 °C in seasonally averaged air temperature in combination with a 10% reduction in canopy biomass due to, e.g., disturbance or acclimatization) may cause a reduction in canopy storage capacity of up to 15-25%, favoring re-emission and potential for long-range atmospheric transport. On the other hand, an increase of 300% in yearly precipitation can increase canopy sequestration by 2-7% for the less hydrophobic compounds.

  3. Spin-orbit ZORA and four-component Dirac-Coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble gas dimers

    DEFF Research Database (Denmark)

    Jankowska, Marzena; Kupka, Teobald; Stobiński, Leszek

    2016-01-01

    Hartree-Fock and density functional theory with the hybrid B3LYP and general gradient KT2 exchange-correlation functionals were used for non-relativistic and relativistic nuclear magnetic shielding calculations of helium, neon, argon, krypton and xenon dimers and free atoms. Relativistic correcti......Hartree-Fock and density functional theory with the hybrid B3LYP and general gradient KT2 exchange-correlation functionals were used for non-relativistic and relativistic nuclear magnetic shielding calculations of helium, neon, argon, krypton and xenon dimers and free atoms. Relativistic...... shieldings and chemical shifts are combined with non-relativistic CCSD(T) calculations using the very large polarization-consistent basis sets aug-pcSseg-4 for He, Ne and Ar, aug-pcSseg-3 for Kr and the AQZP basis set for Xe. For the dimers also zero-point vibrational corrections obtained at the CCSD......(T) level with the same basis sets were added. Best estimates of the dimer chemical shifts are generated from these nuclear magnetic shieldings and the relative importance of electron correlation, zero-point vibrational and relativistic corrections for the shieldings and chemical shifts is analyzed....

  4. The impact of energy production on the atmosphere: Laboratory and field studies of emissions from oil and gas production and their chemical transformation

    Science.gov (United States)

    Li, Rui

    Over the past decades, the rapid development of energy production in the U.S. has led to significant changes in atmospheric emissions and transformation of trace gas and particles, which are still very uncertain and poorly understood. Through laboratory, modeling and field experiments we hope to better understand the trace gas emission and their contribution to secondary organic aerosols (SOA) formation in the oil and natural gas (O&NG) operations. A fast time-response Oxidation Flow Reactor (OFR) is used for the study of SOA formation from oil vapors. The radical chemistry and quantification of OH exposure (OHexp) in the reactor under various conditions were investigated using a photochemical kinetic model. An OHexp estimation equation derived from the model was shown to agree with measurements in several field campaigns. This work further establishes the usefulness of such reactors in atmospheric studies. Motivated from the SOA observations of Gulf of Mexico oil spill, the SOA formation from organic compounds of different volatility in the oil vapors was studied in the laboratory using OFR. We use the evaporation time dependence on volatility of the precursors to quantify their contribution to total SOA formation. This study shows (1) organic compounds of intermediate volatility contribute the large majority of SOA mass formed, (2) the mass spectral signature of SOA shows good agreement with that of ambient SOA formed during oil spill. These results in O&NG operations, the air toxic hydrogen sulfide (H 2S) can be released at wellheads, separation and storage tanks. Here, quantitative, fast time-response measurements of H2S using Proton-Transfer-Reaction Mass-Spectrometry (PTR-MS) instruments in an O&NG field are presented. A laboratory calibration study was performed to measure the humidity dependent sensitivities of H2S. The close correlation between H2S and CH4 and significant H2S levels downwind of storage tanks suggest that H2S emissions associated with O

  5. Performance prediction of gas turbines by solving a system of non-linear equations

    Energy Technology Data Exchange (ETDEWEB)

    Kaikko, J.

    1998-09-01

    This study presents a novel method for implementing the performance prediction of gas turbines from the component models. It is based on solving the non-linear set of equations that corresponds to the process equations, and the mass and energy balances for the engine. General models have been presented for determining the steady state operation of single components. Single and multiple shad arrangements have been examined with consideration also being given to heat regeneration and intercooling. Emphasis has been placed upon axial gas turbines of an industrial scale. Applying the models requires no information of the structural dimensions of the gas turbines. On comparison with the commonly applied component matching procedures, this method incorporates several advantages. The application of the models for providing results is facilitated as less attention needs to be paid to calculation sequences and routines. Solving the set of equations is based on zeroing co-ordinate functions that are directly derived from the modelling equations. Therefore, controlling the accuracy of the results is easy. This method gives more freedom for the selection of the modelling parameters since, unlike for the matching procedures, exchanging these criteria does not itself affect the algorithms. Implicit relationships between the variables are of no significance, thus increasing the freedom for the modelling equations as well. The mathematical models developed in this thesis will provide facilities to optimise the operation of any major gas turbine configuration with respect to the desired process parameters. The computational methods used in this study may also be adapted to any other modelling problems arising in industry. (orig.) 36 refs.

  6. Direct chemical-analysis of uv laser-ablation products of organic polymers by using selective ion monitoring mode in gas-chromatography mass-spectrometry

    Science.gov (United States)

    Cho, Yirang; Lee, H.W.; Fountain, S.T.; Lubman, D.M.

    1994-01-01

    Trace quantities of laser ablated organic polymers were analyzed by using commercial capillary column gas chromatography/mass spectrometry; the instrument was modified so that the laser ablation products could be introduced into the capillary column directly and the constituents of each peak in the chromatogram were identified by using a mass spectrometer. The present study takes advantage of the selective ion monitoring mode for significantly improving the sensitivity of the mass spectrometer as a detector, which is critical in analyzing the trace quantities and confirming the presence or absence of the species of interest in laser ablated polymers. The initial composition of the laser ablated polymers was obtained by using an electron impact reflectron time-of-flight mass spectrometer and the possible structure of the fragments observed in the spectra was proposed based on the structure of the polymers.

  7. α-pinene photooxidation under controlled chemical conditions - Part 1: Gas-phase composition in low- and high-NOx environments

    Science.gov (United States)

    Eddingsaas, N. C.; Loza, C. L.; Yee, L. D.; Seinfeld, J. H.; Wennberg, P. O.

    2012-07-01

    The OH oxidation of α-pinene under both low- and high-NOx environments was studied in the Caltech atmospheric chambers. Ozone was kept low to ensure OH was the oxidant. The initial α-pinene concentration was 20-50 ppb to ensure that the dominant peroxy radical pathway under low-NOx conditions is reaction with HO2, produced from reaction of OH with H2O2, and under high-NOx conditions, reactions with NO. Here we present the gas-phase results observed. Under low-NOx conditions the main first generation oxidation products are a number of α-pinene hydroxy hydroperoxides and pinonaldehyde, accounting for over 40% of the yield. In all, 65-75% of the carbon can be accounted for in the gas phase; this excludes first-generation products that enter the particle phase. We suggest that pinonaldehyde forms from RO2 + HO2 through an alkoxy radical channel that regenerates OH, a mechanism typically associated with acyl peroxy radicals, not alkyl peroxy radicals. The OH oxidation and photolysis of α-pinene hydroxy hydroperoxides leads to further production of pinonaldehyde, resulting in total pinonaldehyde yield from low-NOx OH oxidation of ~33%. The low-NOx OH oxidation of pinonaldehyde produces a number of carboxylic acids and peroxyacids known to be important secondary organic aerosol components. Under high-NOx conditions, pinonaldehyde was also found to be the major first-generation OH oxidation product. The high-NOx OH oxidation of pinonaldehyde did not produce carboxylic acids and peroxyacids. A number of organonitrates and peroxyacyl nitrates are observed and identified from α-pinene and pinonaldehyde.

  8. Identification of chemical warfare agents from vapor samples using a field-portable capillary gas chromatography/membrane-interfaced electron ionization quadrupole mass spectrometry instrument with Tri-Bed concentrator.

    Science.gov (United States)

    Nagashima, Hisayuki; Kondo, Tomohide; Nagoya, Tomoki; Ikeda, Toru; Kurimata, Naoko; Unoke, Shohei; Seto, Yasuo

    2015-08-07

    A field-portable gas chromatograph-mass spectrometer (Hapsite ER system) was evaluated for the detection of chemical warfare agents (CWAs) in the vapor phase. The system consisted of Tri-Bed concentrator gas sampler (trapping time: 3s(-1)min), a nonpolar low thermal-mass capillary gas chromatography column capable of raising temperatures up to 200°C, a hydrophobic membrane-interfaced electron ionization quadrupole mass spectrometer evacuated by a non-evaporative getter pump for data acquisition, and a personal computer for data analysis. Sample vapors containing as little as 22μg sarin (GB), 100μg soman (GD), 210μg tabun (GA), 55μg cyclohexylsarin (GF), 4.8μg sulfur mustard, 390μg nitrogen mustard 1, 140μg of nitrogen mustard 2, 130μg nitrogen mustard 3, 120μg of 2-chloroacetophenone and 990μg of chloropicrin per cubic meter could be confirmed after Tri-Bed micro-concentration (for 1min) and automated AMDIS search within 12min. Using manual deconvolution by background subtraction of neighboring regions on the extracted ion chromatograms, the above-mentioned CWAs could be confirmed at lower concentration levels. The memory effects were also examined and we found that blister agents showed significantly more carry-over than nerve agents. Gasoline vapor was found to interfere with the detection of GB and GD, raising the concentration limits for confirmation in the presence of gasoline by both AMDIS search and manual deconvolution; however, GA and GF were not subject to interference by gasoline. Lewisite 1, and o-chlorobenzylidene malononitrile could also be confirmed by gas chromatography, but it was hard to quantify them. Vapors of phosgene, chlorine, and cyanogen chloride could be confirmed by direct mass spectrometric detection at concentration levels higher than 2, 140, and 10mg/m(3) respectively, by bypassing the micro-concentration trap and gas chromatographic separation. Copyright © 2015 Elsevier B.V. All rights reserved.

  9. New Automated and High-Throughput Quantitative Analysis of Urinary Ketones by Multifiber Exchange-Solid Phase Microextraction Coupled to Fast Gas Chromatography/Negative Chemical-Electron Ionization/Mass Spectrometry

    Science.gov (United States)

    Pacenti, Marco; Dugheri, Stefano; Traldi, Pietro; Degli Esposti, Filippo; Perchiazzi, Nicola; Franchi, Elena; Calamante, Massimo; Kikic, Ireneo; Alessi, Paolo; Bonacchi, Alice; Salvadori, Edoardo; Arcangeli, Giulio; Cupelli, Vincenzo

    2010-01-01

    The present research is focused on automation, miniaturization, and system interaction with high throughput for multiple and specific Direct Immersion-Solid Phase Microextraction/Fast Gas Chromatography analysis of the urinary ketones. The specific Mass Spectrometry instrumentation, capable of supporting such the automated changeover from Negative Chemical to Electron Ionization mode, as well as the automation of the preparation procedure by new device called MultiFiber Exchange, through change of the fibers, allowed a friendly use of mass spectrometry apparatus with a number of advantages including reduced analyst time and greater reproducibility (2.01–5.32%). The detection limits for the seven ketones were less than 0.004 mg/L. For an innovative powerful meaning in high-throughput routine, the generality of the structurally informative Mass Spectrometry fragmentation patterns together with the chromatographic separation and software automation are also investigated. PMID:20628512

  10. Aerosol assisted chemical vapour deposition of gas sensitive SnO2 and Au-functionalised SnO2 nanorods via a non-catalysed vapour solid (VS) mechanism

    Science.gov (United States)

    Vallejos, Stella; Selina, Soultana; Annanouch, Fatima Ezahra; Gràcia, Isabel; Llobet, Eduard; Blackman, Chris

    2016-01-01

    Tin oxide nanorods (NRs) are vapour synthesised at relatively lower temperatures than previously reported and without the need for substrate pre-treatment, via a vapour-solid mechanism enabled using an aerosol-assisted chemical vapour deposition method. Results demonstrate that the growth of SnO2 NRs is promoted by a compression of the nucleation rate parallel to the substrate and a decrease of the energy barrier for growth perpendicular to the substrate, which are controlled via the deposition conditions. This method provides both single-step formation of the SnO2 NRs and their integration with silicon micromachined platforms, but also allows for in-situ functionalization of the NRs with gold nanoparticles via co-deposition with a gold precursor. The functional properties are demonstrated for gas sensing, with microsensors using functionalised NRs demonstrating enhanced sensing properties towards H2 compared to those based on non-functionalised NRs. PMID:27334232

  11. Molecular structure and force field of boron tribromide as determined from combined analysis of gas electron diffraction and spectroscopic data and supported by quantum-chemical density-functional calculations

    Science.gov (United States)

    Martinsen, Kjell-Gunnar; Vogt, Natalja; Volden, Hans Vidar; Lyutsarev, Vasilii S.; Vogt, Jürgen

    1996-12-01

    The thermal-average parameters of BBr 3 at 21(1) °C were obtained from a conventional analysis of gas electron diffraction (GED) data ( rg(BBr) = 190.0(4) pm). The equilibrium structure and the force constants were refined from a joint analysis of the GED intensities and vibrational frequencies using different approximations. The simplest approximation (quadratic potential function in rectilinear coordinates) is suitable for the refinements of the equilibrium bond length ( rhe(BBr) = 189.6(4) pm) and the force constants of BBr 3. The molecule is planar within the error limits. Quantum-chemical density-functional calculations supported planarity of the molecule.

  12. High mobility 2-dimensional electron gas at LaAlO3/SrTiO3 interface prepared by spin coating chemical methods

    Science.gov (United States)

    Khan, Tahira; Zhang, Hui; Zhang, Hongrui; Yan, Xi; Hong, Deshun; Han, Furong; Chen, Yuansha; Shen, Baogen; Sun, Jirong

    2017-10-01

    Highly mobile 2-dimensional electron gases (2DEGs) at the (001), (011) and (111)-oriented LaAlO3/SrTiO3 (LAO/STO) interfaces are obtained using spin coating chemical method, which is a gentle technique without plasma bombardment of the pulsed laser deposition. As revealed by x-ray diffraction spectrum and x-ray reflectivity analysis, the LAO over layer is epitaxially grown, and has a uniform thickness of ˜15 nm, ˜20 nm and ˜26 nm for (001), (011) and (111) orientations, respectively. The interfaces are well metallic down to 2 K. The carrier mobilities are ˜28 000 cm2 V-1 s-1, ˜22 000 cm2 V-1 s-1 and ˜8300 cm2 V-1 s-1 at 2 K for the (001), (011) and (111) LAO/STO interfaces, respectively, and ˜8 cm2 V-1 s-1, ˜4 cm2 V-1 s-1 and ˜4 cm2 V-1 s-1 at room temperature. The present work shows that the spin coating chemical method is a feasible approach to get high quality 2DEG at both the polar/non-polar and polar/polar interfaces.

  13. Gas-phase chemistry of superheavy elements

    OpenAIRE

    Gäggeler Heinz W.; Türler Andreas

    2013-01-01

    © 2014 Springer Verlag Berlin Heidelberg. All rights are reserved. This chapter summarizes gas chemical studies of transactinides using two approaches gas thermochromatography and isothermal gas chromatography. Both techniques enabled successful chemical studies of the transactinides rutherfordium (Z = 104 Rf) dubnium (Z = 105 Db) seaborgium (Z = 106 Sg) bohrium (Z = 107 Bh) hassium (Z = 108; Hs) copernicium (Z = 112 Cn) and the recently named flerovium (Z = 114 Fl). Typically these chemical ...

  14. Classification of organic aerosol in the atmosphere over Seoul based on chemical group separation using two dimensional gas chromatography-time of flight mass spectrometry (GC×GC TOFMS) data

    Science.gov (United States)

    Jeon, S.; Lim, H. B.; Choi, N.; Lee, J.; Ahn, Y. K.; Kim, Y. P.

    2016-12-01

    Organic aerosols contain thousands of organic compounds and contribute to 20-90% of the total fine aerosol mass. For analyzing organic aerosols, a wide range of analytical techniques have been used such as gas chromatography mass spectrometer (GC/MS), liquid chromatography mass spectrometer (LC/MS), aerosol mass spectrometer (AMS), etc. Among them, comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometer (GCxGC/TOF-MS) can provide higher chemical resolution than AMS and analyze more mass fractions of organic aerosols than GC/MS. In this study, we suggest a new data processing method using GCxGC/TOF-MS data for analyzing organic compounds in the ambient aerosols. TSP samples were collected on the roof of the Asan engineering building, Ewha Womans University, Seoul, South Korea (37.56 °N, 126.94 °E, 20 m above ground level). A total of 67 samples were obtained during summer (August 2013) and winter (January and February 2014) with a PUF sampler (Tisch, TE-1000) on quartz fiber filter. Filters were extracted using accelerated solvent extractor with a mixture of dichloromethane and methanol (3:1, v/v). Total extracts were blown down to 0.5 mL using a nitrogen evaporator (Turbo Vap Ⅱ, caliper Life Sciences). Organic compounds in the TSP samples were separated into 6 chemical groups, depending on their retention time in two dimensions for their volatility and polarity. All area of peaks in each group was summed and variance of total area in each group was compared depending on season and diurnal cycle.

  15. Morphological Characteristic, Chemical Composition and In Vitro Gas Production Fermentation Profiles of Alfalfa Hay at Early Bud Stage Harvested at Different Cuts and in the Afternoon and in the Morning

    Directory of Open Access Journals (Sweden)

    Hadi Ghorbani Farmad

    2015-04-01

    Full Text Available There are a little information about nutritive value of alfalfa harvested at different cuts and different cutting time (morning and afternoon in semiarid climate condition of north east of Iran. Effects of different harvesting cuts and cutting time (6 A.M and 6 P.M of alfalfa hay at early bud stage on chemical composition and in vitro gas production fermentation profiles were studied in this experiment. Alfalfa hay that harvested at spring cuts had more CP and Ash content, gas production, ME, NEl, SCFA (short chain fatty acid, and IVOMD (In vitro organic matter digestibility and less NDF and ADF than summer cuts. Alfalfa that cuts in the morning had more CP content and less leaf content and leaf to stem ratio than alfalfa cuts in the afternoon. Cutting alfalfa in the morning and the afternoon had no effect on fermentation profiles of alfalfa hay. The results of this experiment show that alfalfa hay at early bud stage harvested in spring and in the afternoon had more nutritive value than alfalfa harvested in summer and in the morning.

  16. Identification of chemical components in Baidianling Capsule based on gas chromatography-mass spectrometry and high-performance liquid chromatography combined with Fourier transform ion cyclotron resonance mass spectrometry.

    Science.gov (United States)

    Wu, Wenying; Chen, Yu; Wang, Binjie; Sun, Xiaoyang; Guo, Ping; Chen, Xiaohui

    2017-08-01

    Baidianling Capsule, which is made from 16 Chinese herbs, has been widely used for treating vitiligo clinically. In this study, the sensitive and rapid method has been developed for the analysis of chemical components in Baidianling Capsule by gas chromatography-mass spectrometry in combination with retention indices and high-performance liquid chromatography combined with Fourier transform ion cyclotron resonance mass spectrometry. Firstly, a total of 110 potential volatile compounds obtained from different extraction procedures including alkanes, alkenes, alkynes, ketones, ethers, aldehydes, alcohols, phenols, organic acids, esters, furans, pyrrole, acid amides, heterocycles, and oxides were detected from Baidianling Capsule by gas chromatography-mass spectrometry, of which 75 were identified by mass spectrometry in combination with the retention index. Then, a total of 124 components were tentatively identified by high-performance liquid chromatography combined with Fourier transform ion cyclotron resonance mass spectrometry. Fifteen constituents from Baidianling Capsule were accurately identified by comparing the retention times with those of reference compounds, others were identified by comparing the retention times and mass spectrometry data, as well as retrieving the reference literature. This study provides a practical strategy for rapidly screening and identifying the multiple constituents of a complex traditional Chinese medicine. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Mass Transfer with Chemical Reaction.

    Science.gov (United States)

    DeCoursey, W. J.

    1987-01-01

    Describes the organization of a graduate course dealing with mass transfer, particularly as it relates to chemical reactions. Discusses the course outline, including mathematics models of mass transfer, enhancement of mass transfer rates by homogeneous chemical reaction, and gas-liquid systems with chemical reaction. (TW)

  18. Idaho Chemical Processing Plant safety document ICPP hazardous chemical evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Harwood, B.J.

    1993-01-01

    This report presents the results of a hazardous chemical evaluation performed for the Idaho Chemical Processing Plant (ICPP). ICPP tracks chemicals on a computerized database, Haz Track, that contains roughly 2000 individual chemicals. The database contains information about each chemical, such as its form (solid, liquid, or gas); quantity, either in weight or volume; and its location. The Haz Track database was used as the primary starting point for the chemical evaluation presented in this report. The chemical data and results presented here are not intended to provide limits, but to provide a starting point for nonradiological hazards analysis.

  19. Short Communication: Evaluation of the chemical composition of essential oil of Thuja occidentalis leaves grown in Peshawar, Pakistan by gas chromatography mass spectrometry.

    Science.gov (United States)

    Qureshi, Muhammad Nasimullah; Siddique, Muhammad; Rahman, Inayat-Ur; Kanwal, Farina

    2016-11-01

    Essential oil extracted from the fresh leaves of Thuja occidentalis were evaluated for its chemical composition employing GC-MS. Total of twenty nine components were identified and determined quantitatively using the area normalization procedure. Alpha-pinene and (+)-4-carene were found in high amount with a percentage concentration of 54.78 and 11.28 respectively. Other compounds which yielded appreciable amounts are: alpha-cedrol (6.87%), terpinolene (5.88%), p-menth-1-en-8-ol acetate (5.21%), beta-myrcene (4.04%), beta-pinene (2.26%), germacrene D (1.72%), sabinene (1.65%) and D-Limonene (1.62%).

  20. Gas chromatography-mass spectrometric studies of O-alkyl O-2-(N,N-dialkylamino) ethyl alkylphosphonites(phosphonates) for chemical weapons convention verification.

    Science.gov (United States)

    Saeidian, Hamid; Babri, Mehran; Ramezani, Atefeh; Ashrafi, Davood; Sarabadani, Mansour; Naseri, Mohammad Taghi

    2013-01-01

    The electron ionization (EI) mass spectra of a series of O-alkyl O-2-(N,N-dialkylaminolethyl alkylphosphonites(phosphonates), which are precursors of nerve agents, were studied for Chemical Weapons Convention (CWC) verification. General El fragmentation pathways were constructed and discussed. Proposed fragment structures were confirmed through analyzing fragment ions of deuterated analogs and density functional theory (DFT) calculations. The observed fragment ions are due to different fragmentation pathways such as hydrogen and McLafferty+1 rearrangements, alkene, amine and alkoxy elimination by alpha- or beta-cleavage process. Fragment ions distinctly allow unequivocal identification of the interested compounds including those of isomeric compounds. The presence and abundance of fragment ions were found to depend on the size and structure of the alkyl group attached to nitrogen, phosphorus and oxygen atoms.

  1. Solid-Fueled Pressurized Chemical Looping with Flue-Gas Turbine Combined Cycle for Improved Plant Efficiency and CO2 Capture

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Kunlei [Univ. of Kentucky, Lexington, KY (United States); Chen, Liangyong [Univ. of Kentucky, Lexington, KY (United States); Zhang, Yi [Univ. of Kentucky, Lexington, KY (United States); Richburg, Lisa [Univ. of Kentucky, Lexington, KY (United States); Simpson, James [WorleyParsons Group Inc., Reading, PA (United States); White, Jay [WorleyParsons Group Inc., Reading, PA (United States); Rossi, Gianalfredo [WorleyParsons Group Inc., Reading, PA (United States)

    2013-12-31

    The purpose of this document is to report the final result of techno-economic analysis for the proposed 550MWe integrated pressurized chemical looping combustion combined cycle process. An Aspen Plus based model is delivered in this report along with the results from three sensitivity scenarios including the operating pressure, excess air ratio and oxygen carrier performance. A process flow diagram and detailed stream table for the base case are also provided with the overall plant energy balance, carbon balance, sulfur balance and water balance. The approach to the process and key component simulation are explained. The economic analysis (OPEX and CAPX) on four study cases via DOE NETL Reference Case 12 are presented and explained.

  2. Gas doping ratio effects on p-type hydrogenated nanocrystalline silicon thin films grown by hot-wire chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Luo, P.Q. [Solar Energy Institute, Department of Physics, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240 (China)], E-mail: robt@sjtu.edu.cn; Zhou, Z.B. [Solar Energy Institute, Department of Physics, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240 (China)], E-mail: zbzhou@sjtu.edu.cn; Chan, K.Y. [Thin Film Laboratory, Faculty of Engineering, Multimedia University, Jalan Multimedia, Cyberjaya 63100, Selangor (Malaysia); Tang, D.Y.; Cui, R.Q.; Dou, X.M. [Solar Energy Institute, Department of Physics, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240 (China)

    2008-12-30

    Hydrogenated nanocrystalline silicon (nc-Si:H) grown by hot-wire chemical vapor deposition (HWCVD) has recently drawn significant attention in the area of thin-film large area optoelectronics due to possibility of high deposition rate. We report on the effects of diborane (B{sub 2}H{sub 6}) doping ratio on the microstructural and optoelectrical properties of the p-type nc-Si:H thin films grown by HWCVD at low substrate temperature of 200 deg. C and with high hydrogen dilution ratio of 98.8%. An attempt has been made to elucidate the boron doping mechanism of the p-type nc-Si:H thin films deposited by HWCVD and the correlation between the B{sub 2}H{sub 6} doping ratio, crystalline volume fraction, optical band gap and dark conductivity.

  3. The Effect of Chemical Amendments Used for Phosphorus Abatement on Greenhouse Gas and Ammonia Emissions from Dairy Cattle Slurry: Synergies and Pollution Swapping.

    Science.gov (United States)

    Brennan, Raymond B; Healy, Mark G; Fenton, Owen; Lanigan, Gary J

    2015-01-01

    Land application of cattle slurry can result in incidental and chronic phosphorus (P) loss to waterbodies, leading to eutrophication. Chemical amendment of slurry has been proposed as a management practice, allowing slurry nutrients to remain available to plants whilst mitigating P losses in runoff. The effectiveness of amendments is well understood but their impacts on other loss pathways (so-called 'pollution swapping' potential) and therefore the feasibility of using such amendments has not been examined to date. The aim of this laboratory scale study was to determine how the chemical amendment of slurry affects losses of NH3, CH4, N2O, and CO2. Alum, FeCl2, Polyaluminium chloride (PAC)- and biochar reduced NH3 emissions by 92, 54, 65 and 77% compared to the slurry control, while lime increased emissions by 114%. Cumulative N2O emissions of cattle slurry increased when amended with alum and FeCl2 by 202% and 154% compared to the slurry only treatment. Lime, PAC and biochar resulted in a reduction of 44, 29 and 63% in cumulative N2O loss compared to the slurry only treatment. Addition of amendments to slurry did not significantly affect soil CO2 release during the study while CH4 emissions followed a similar trend for all of the amended slurries applied, with an initial increase in losses followed by a rapid decrease for the duration of the study. All of the amendments examined reduced the initial peak in CH4 emissions compared to the slurry only treatment. There was no significant effect of slurry amendments on global warming potential (GWP) caused by slurry land application, with the exception of biochar. After considering pollution swapping in conjunction with amendment effectiveness, the amendments recommended for further field study are PAC, alum and lime. This study has also shown that biochar has potential to reduce GHG losses arising from slurry application.

  4. The Effect of Chemical Amendments Used for Phosphorus Abatement on Greenhouse Gas and Ammonia Emissions from Dairy Cattle Slurry: Synergies and Pollution Swapping.

    Directory of Open Access Journals (Sweden)

    Raymond B Brennan

    Full Text Available Land application of cattle slurry can result in incidental and chronic phosphorus (P loss to waterbodies, leading to eutrophication. Chemical amendment of slurry has been proposed as a management practice, allowing slurry nutrients to remain available to plants whilst mitigating P losses in runoff. The effectiveness of amendments is well understood but their impacts on other loss pathways (so-called 'pollution swapping' potential and therefore the feasibility of using such amendments has not been examined to date. The aim of this laboratory scale study was to determine how the chemical amendment of slurry affects losses of NH3, CH4, N2O, and CO2. Alum, FeCl2, Polyaluminium chloride (PAC- and biochar reduced NH3 emissions by 92, 54, 65 and 77% compared to the slurry control, while lime increased emissions by 114%. Cumulative N2O emissions of cattle slurry increased when amended with alum and FeCl2 by 202% and 154% compared to the slurry only treatment. Lime, PAC and biochar resulted in a reduction of 44, 29 and 63% in cumulative N2O loss compared to the slurry only treatment. Addition of amendments to slurry did not significantly affect soil CO2 release during the study while CH4 emissions followed a similar trend for all of the amended slurries applied, with an initial increase in losses followed by a rapid decrease for the duration of the study. All of the amendments examined reduced the initial peak in CH4 emissions compared to the slurry only treatment. There was no significant effect of slurry amendments on global warming potential (GWP caused by slurry land application, with the exception of biochar. After considering pollution swapping in conjunction with amendment effectiveness, the amendments recommended for further field study are PAC, alum and lime. This study has also shown that biochar has potential to reduce GHG losses arising from slurry application.

  5. Charge-Dipole Acceleration of Polar Gas Molecules towards Charged Nanoparticles: Involvement in Powerful Charge-Induced Catalysis of Heterophase Chemical Reactions and Ball Lightning Phenomenon

    Directory of Open Access Journals (Sweden)

    Oleg Meshcheryakov

    2010-01-01

    Full Text Available In humid air, the substantial charge-dipole attraction and electrostatic acceleration of surrounding water vapour molecules towards charged combustible nanoparticles cause intense electrostatic hydration and preferential oxidation of these nanoparticles by electrostatically accelerated polar water vapour molecules rather than nonaccelerated nonpolar oxygen gas molecules. Intense electrostatic hydration of charged combustible nanoparticles converts the nanoparticle's oxide-based shells into the hydroxide-based electrolyte shells, transforming these nanoparticles into reductant/air core-shell nanobatteries, periodically short-circuited by intraparticle field and thermionic emission. Partially synchronized electron emission breakdowns within trillions of nanoparticles-nanobatteries turn a cloud of charged nanoparticles-nanobatteries into a powerful radiofrequency aerosol generator. Electrostatic oxidative hydration and charge-catalyzed oxidation of charged combustible nanoparticles also contribute to a self-oscillating thermocycling process of evolution and periodic autoignition of inflammable gases near to the nanoparticle's surface. The described effects might be of interest for the improvement of certain nanotechnological heterophase processes and to better understand ball lightning phenomenon.

  6. Gas Sensor

    KAUST Repository

    Luebke, Ryan

    2015-01-22

    A gas sensor using a metal organic framework material can be fully integrated with related circuitry on a single substrate. In an on-chip application, the gas sensor can result in an area-efficient fully integrated gas sensor solution. In one aspect, a gas sensor can include a first gas sensing region including a first pair of electrodes, and a first gas sensitive material proximate to the first pair of electrodes, wherein the first gas sensitive material includes a first metal organic framework material.

  7. Micro Chemical Oxygen-Iodine Laser (COIL)

    National Research Council Canada - National Science Library

    Livermore-Clifford, Carol

    2007-01-01

    .... The MEMS SOG contained an array of reaction channels for the chemical reaction of BHP and chlorine gas, a liquid-gas separator based on capillary effects, and integrated heat exchangers for thermal management...

  8. Intercooled Turbo-Brayton Power Converter for Spaceflight Applications Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Future NASA space missions require advanced systems to convert thermal energy into electric power. These systems must be reliable, efficient, and lightweight. In...

  9. Abundance profiles of CH3OH and H2CO toward massive young stars as tests of gas-grain chemical models

    Science.gov (United States)

    van der Tak, F. F. S.; van Dishoeck, E. F.; Caselli, P.

    2000-09-01

    The chemistry of CH3OH and H2CO in thirteen regions of massive star formation is studied through single-dish and interferometer line observations at submillimeter wavelengths. Single-dish spectra at 241 and 338 GHz indicate that Trot = 30-200 K for CH3OH, but only 60-90 K for H2CO. The tight correlation between Trot(CH3OH) and Tex(C2H2) from infrared absorption suggests a common origin of these species, presumably outgassing of icy grain mantles. The CH3OH line widths are 3-5 km s-1, consistent with those found earlier for C17O and C34S, except in GL 7009S and IRAS 20126, whose line shapes reveal CH3OH in the outflows. This difference suggests that for low-luminosity objects, desorption of CH3OH-rich ice mantles is dominated by shocks, while radiation is more important around massive stars. The wealth of CH3OH and H2CO lines covering a large range of excitation conditions allows us to calculate radial abundance profiles , using the physical structures of the sources derived earlier from submillimeter continuum and CS line data. The data indicate three types of abundance profiles: flat profiles at CH3OH/H2 ~ 10-9 for the coldest sources, profiles with a jump in its abundance from ~ 10-9 to ~ 10-7 for the warmer sources, and flat profiles at CH3OH/H2 ~ few 10-8 for the hot cores. The models are consistent with the ~ 3'' size of the CH3OH 107 GHz emission measured interferometrically. The location of the jump at T~ 100 K suggests that it is due to evaporation of grain mantles, followed by destruction in gas-phase reactions in the hot core stage. In contrast, the H2CO data can be well fit with a constant abundance of a few x 10-9 throughout the envelope, providing limits on its grain surface formation. These results indicate that Trot (CH3OH) can be used as evolutionary indicator during the embedded phase of massive star formation, independent of source optical depth or orientation. Model calculations of gas-grain chemistry show that CO is primarily reduced (into CH3OH

  10. Ammonia detection of 1-D ZnO/polypyrrole nanocomposite: Effect of CSA doping and their structural, chemical, thermal and gas sensing behavior

    Energy Technology Data Exchange (ETDEWEB)

    Jain, Shilpa [Department of Chemistry, University of Mumbai, Santacruz (East), Mumbai-400098,India (India); Karmakar, Narayan [Department of Physics, University of Mumbai, Santacruz (East), Mumbai-400098,India (India); Shah, Akshara [Department of Chemistry, University of Mumbai, Santacruz (East), Mumbai-400098,India (India); Kothari, D.C. [Department of Physics, University of Mumbai, Santacruz (East), Mumbai-400098,India (India); National Centre for Nanosciences& Nanotechnology, University of Mumbai, Santacruz (East), Mumbai-400098,India (India); Mishra, Satyendra [University Institute of Chemical Technology, North Maharashtra University, Jalgaon (India); Shimpi, Navinchandra G, E-mail: navin_shimpi@rediffmail.com [Department of Chemistry, University of Mumbai, Santacruz (East), Mumbai-400098,India (India)

    2017-02-28

    Highlights: • Synthesis of 1-Dimensional ZnO-Polypyrrole nanocomposite using In-situ oxidative polymerization technique. • High response ammonia sensing. • Optimization of ZnO content in nanocomposites for maximum sensor response. • Effect of CSA doping on structural, thermal, optical and sensing behavior. • Optimization of CSA concentration for high sensitivity, fast response and recovery time. - Abstract: Nanocomposites of polypyrrole (PPy) with varying concentration of ZnO nanorods (ZnO NRs) were synthesized using in-situ oxidative polymerization technique. The prepared nanocomposites (PPy, PPy-ZnO and CSA doped PPy-ZnO) were studied for various oxidizing and reducing gases at room temperature and found to be more selective towards ammonia gas. Various concentrations of ZnO NRs in Ppy matrix were studied and 15% was found to be optimum in terms of sensor response (66% towards 120 ppm NH{sub 3}). Further, with 15% doping of camphor sulphonic acid (CSA) in PPy-ZnO nanocomposite for 15% ZnO NRs in Ppy matrix, sensor response increased from 66 to 79% towards 120 ppm of NH{sub 3}. Structural, Optical and thermal behavior of nanocomposites were studied using powder X-ray diffraction (XRD), Fourier Transform Infra-Red (FTIR) spectroscopy, X-ray Photoelectron Spectroscopy (XPS), UV–vis (UV–vis) absorption spectroscopy, room temperature Photoluminescence (PL) Spectroscopy, Thermo-gravimetric analysis (TGA) and Field Emission Scanning Electron Microscopy (FESEM). ZnO has been completely embedded inside the polymeric chains as observed from in SEM. Meanwhile, FT-IR spectra indicate better conjugation and interaction in nanocomposites. With CSA doping interaction grows stronger due to extended delocalization over π electrons leading to higher sensor response and with response time and recovery time of 24 s and 34 s respectively. CSA doped PPy-ZnO (15%) nanocomposites observed to be a potential candidate for ammonia detection at lower ppm level.

  11. PHYSICO-CHEMICAL ANALYSIS OF THE WASTE FROM INSTALLATION OF SEMI-DRY FLUE GAS DESULFURIZATION OF INDUSTRIAL CHP PLANT IN JANIKOWO

    Directory of Open Access Journals (Sweden)

    Marta Plaskacz-Dziuba

    2014-10-01

    Full Text Available The paper presents results of the analysis of waste from semi-dry flue gas desulphurisation installation called Integrated Novel Desulphurisation (NID. A comprehensive analysis of the physicochemical properties was conducted, including analyzes of the content of ions SO32- and SO42- (relating to 2CaSO3·H2O i CaSO4·2H2O, moisture, SiO2 and R2O3 and SEM-EDX analysis. The original method for the determination of sulphates (IV using a potentiometric titrator was designed. Determined that the main component of both studied wastes was 2CaSO3·H2O, and its content is for NID 1 – 41,24±0,63%, for NID 2 – 45,53±0,33%. The content of CaSO4·2H2O, which was determined by gravimetric method amounted for the NID 1 – 8,92±0,12%, for the NID 2 – 8,27±0,08%. The moisture content for both tested materials was about 4%, the content of SiO2 was in the range of 8–10%, and R2O3 content was about 1%. It was also shown that the test material is not homogenous. Images from scanning electron microscope showed that in the waste occured irregularly agglomerates with a diameter between 30 and 100 microns. EDX analysis revealed that elements constituted NID wastes are oxygen, sulfur, calcium, chlorine, silicon, aluminum, copper and carbon.

  12. Ammonia detection of 1-D ZnO/polypyrrole nanocomposite: Effect of CSA doping and their structural, chemical, thermal and gas sensing behavior

    Science.gov (United States)

    Jain, Shilpa; Karmakar, Narayan; Shah, Akshara; Kothari, D. C.; Mishra, Satyendra; Shimpi, Navinchandra G.

    2017-02-01

    Nanocomposites of polypyrrole (PPy) with varying concentration of ZnO nanorods (ZnO NRs) were synthesized using in-situ oxidative polymerization technique. The prepared nanocomposites (PPy, PPy-ZnO and CSA doped PPy-ZnO) were studied for various oxidizing and reducing gases at room temperature and found to be more selective towards ammonia gas. Various concentrations of ZnO NRs in Ppy matrix were studied and 15% was found to be optimum in terms of sensor response (66% towards 120 ppm NH3). Further, with 15% doping of camphor sulphonic acid (CSA) in PPy-ZnO nanocomposite for 15% ZnO NRs in Ppy matrix, sensor response increased from 66 to 79% towards 120 ppm of NH3. Structural, Optical and thermal behavior of nanocomposites were studied using powder X-ray diffraction (XRD), Fourier Transform Infra-Red (FTIR) spectroscopy, X-ray Photoelectron Spectroscopy (XPS), UV-vis (UV-vis) absorption spectroscopy, room temperature Photoluminescence (PL) Spectroscopy, Thermo-gravimetric analysis (TGA) and Field Emission Scanning Electron Microscopy (FESEM). ZnO has been completely embedded inside the polymeric chains as observed from in SEM. Meanwhile, FT-IR spectra indicate better conjugation and interaction in nanocomposites. With CSA doping interaction grows stronger due to extended delocalization over π electrons leading to higher sensor response and with response time and recovery time of 24 s and 34 s respectively. CSA doped PPy-ZnO (15%) nanocomposites observed to be a potential candidate for ammonia detection at lower ppm level.

  13. KF post-deposition treatment of industrial Cu(In, Ga)(S, Se)2 thin-film surfaces: Modifying the chemical and electronic structure

    Science.gov (United States)

    Mezher, Michelle; Mansfield, Lorelle M.; Horsley, Kimberly; Blum, Monika; Wieting, Robert; Weinhardt, Lothar; Ramanathan, Kannan; Heske, Clemens

    2017-08-01

    The chemical and electronic structures of industrial chalcopyrite photovoltaic absorbers after KF post-deposition treatment (KF-PDT) are investigated using electron spectroscopies to probe the occupied and unoccupied electronic states. In contrast to a variety of recent publications on the impact of KF-PDT, this study focuses on industrial Cu(In,Ga)(S,Se)2 absorbers that also contain sulfur at the surface. We find that the KF-PDT removes surface adsorbates and oxides and also observe a change in the S/Se ratio. Furthermore, the KF-PDT leads to a Cu reduction at the surface but to a much lower degree than the strongly Cu-depleted or even Cu-free surfaces reported for (non-industrial) sulfur-free Cu(In,Ga)Se2 absorbers. The valence band maximum at the surface is found at a lower energy compared to the untreated absorber, and the conduction band minimum is found at a higher energy, overall revealing a widening of the bandgap in the surface region.

  14. A highly sensitive chemical gas detecting device based on N-doped ZnO as a modified nanostructure media: A DFT+NBO analysis

    Science.gov (United States)

    Abbasi, Amirali; Sardroodi, Jaber Jahanbin

    2018-02-01

    We presented a density functional theory study of the adsorption of O3 and NO2 molecules on ZnO nanoparticles. Various adsorption geometries of O3 and NO2 over the nanoparticles were considered. For both O3 and NO2 adsorption systems, it was found that the adsorption on the N-doped nanoparticle is more favorable in energy than that on the pristine one. Therefore, the N-doped ZnO has a better efficiency to be utilized as O3 and NO2 detection device. For all cases, the binding sites were located on the zinc atoms of the nanoparticle. The charge analysis based on natural bond orbital (NBO) analysis indicates that charge was transferred from the surface to the adsorbed molecule. The projected density of states of the interacting atoms represent the formation of chemical bonds at the interface region. Molecular orbitals of the adsorption systems indicate that the HOMOs were mainly localized on the adsorbed O3 and NO2 molecules, whereas the electronic densities in the LUMOs were dominant at the ZnO nanocrystal surface. By examining the distribution of spin densities, we found that the magnetization was mainly located over the adsorbed molecules. For NO2 adsorbate, we found that the symmetric and asymmetric stretches were shifted to a lower frequency. The bending stretch mode was shifted to the higher frequency. Our DFT results thus provide a theoretical basis for why the adsorption of O3 and NO2 molecules on the N-doped ZnO nanoparticles may increase, giving rise to design and development of innovative and highly efficient sensor devices for O3 and NO2 recognition.

  15. Molecular structure of the trans and cis isomers of metal-free phthalocyanine studied by gas-phase electron diffraction and high-level quantum chemical calculations: NH tautomerization and calculated vibrational frequencies.

    Science.gov (United States)

    Strenalyuk, Tatyana; Samdal, Svein; Volden, Hans Vidar

    2008-05-29

    The molecular structure of the trans isomer of metal-free phthalocyanine (H2Pc) is determined using the gas electron diffraction (GED) method and high-level quantum chemical calculations. B3LYP calculations employing the basis sets 6-31G**, 6-311++G**, and cc-pVTZ give two tautomeric isomers for the inner H atoms, a trans isomer having D2h symmetry and a cis isomer having C2v symmetry. The trans isomer is calculated to be 41.6 (B3LYP/6-311++G**, zero-point corrected) and 37.3 kJ/mol (B3LYP/cc-pVTZ, not zero-point corrected) more stable than the cis isomer. However, Hartree-Fock (HF) calculations using different basis sets predict that cis is preferred and that trans does not exist as a stable form of the molecule. The equilibrium composition in the gas phase at 471 degrees C (the temperature of the GED experiment) calculated at the B3LYP/6-311++G** level is 99.8% trans and 0.2% cis. This is in very good agreement with the GED data, which indicate that the mole fraction of the cis isomer is close to zero. The transition states for two mechanisms of the NH tautomerization have been characterized. A concerted mechanism where the two H atoms move simultaneously yields a transition state of D2h symmetry and an energy barrier of 95.8 kJ/mol. A two-step mechanism where a trans isomer is converted to a cis isomer, which is converted into another trans isomer, proceeds via two transition states of C(s) symmetry and an energy barrier of 64.2 kJ/mol according to the B3LYP/6-311++G** calculation. The molecular geometry determined from GED is in very good agreement with the geometry obtained from the quantum chemical calculations. Vibrational frequencies, IR, and Raman intensities have been calculated using B3LYP/6-311++G**. These calculations indicate that the molecule is rather flexible with six vibrational frequencies in the range of 20-84 cm(-1) for the trans isomer. The cis isomer might be detected by infrared matrix spectroscopy since the N-H stretching frequencies are

  16. GHGRP Chemicals Sector Industrial Profile

    Science.gov (United States)

    EPA's Greenhouse Gas Reporting Program periodically produces detailed profiles of the various industries that report under the program. The profiles available for download below contain detailed analyses for the Chemicals industry.

  17. Assessment of Hyporheic Zone, Flood-Plain, Soil-Gas, Soil, and Surface-Water Contamination at the McCoys Creek Chemical Training Area, Fort Gordon, Georgia, 2009-2010

    Science.gov (United States)

    Guimaraes, Wladmir B.; Falls, W. Fred; Caldwell, Andral W.; Ratliff, W. Hagan; Wellborn, John B.; Landmeyer, James E.

    2011-01-01

    The U.S. Geological Survey, in cooperation with the U.S. Department of the Army Environmental and Natural Resources Management Office of the U.S. Army Signal Center and Fort Gordon, Georgia, assessed the hyporheic zone, flood plain, soil gas, soil, and surface water for contaminants at the McCoys Creek Chemical Training Area (MCTA) at Fort Gordon, from October 2009 to September 2010. The assessment included the detection of organic contaminants in the hyporheic zone, flood plain, soil gas, and surface water. In addition, the organic contaminant assessment included the analysis of organic compounds classified as explosives and chemical agents in selected areas. Inorganic contaminants were assessed in soil and surface-water samples. The assessment was conducted to provide environmental contamination data to the U.S. Army at Fort Gordon pursuant to requirements of the Resource Conservation and Recovery Act Part B Hazardous Waste Permit process. Ten passive samplers were deployed in the hyporheic zone and flood plain, and total petroleum hydrocarbons (TPH) and octane were detected above the method detection level in every sampler. Other organic compounds detected above the method detection level in the hyporheic zone and flood-plain samplers were trichloroethylene, and cis- and trans- 1, 2-dichloroethylene. One trip blank detected TPH below the method detection level but above the nondetection level. The concentrations of TPH in the samplers were many times greater than the concentrations detected in the blank; therefore, all other TPH concentrations detected are considered to represent environmental conditions. Seventy-one soil-gas samplers were deployed in a grid pattern across the MCTA. Three trip blanks and three method blanks were used and not deployed, and TPH was detected above the method detection level in two trip blanks and one method blank. Detection of TPH was observed at all 71 samplers, but because TPH was detected in the trip and method blanks, TPH was

  18. Chemical Emergencies

    Science.gov (United States)

    When a hazardous chemical has been released, it may harm people's health. Chemical releases can be unintentional, as in the case of an ... the case of a terrorist attack with a chemical weapon. Some hazardous chemicals have been developed by ...

  19. Gas gangrene

    Science.gov (United States)

    Tissue infection - Clostridial; Gangrene - gas; Myonecrosis; Clostridial infection of tissues; Necrotizing soft tissue infection ... Gas gangrene is most often caused by bacteria called Clostridium perfringens. It also can be caused by ...

  20. Power plant chemical technology

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-12-01

    17 contributions covering topies of fossil fuel combustion, flue gas cleaning, power plant materials, corrosion, water/steam cycle chemistry, monitoring and control were presented at the annual meeting devoted to Power Plant Chemical Technology 1996 at Kolding (Denmark) 4-6 September 1996. (EG)

  1. Chemical characterization of the acid alteration of diesel fuel: Non-targeted analysis by two-dimensional gas chromatography coupled with time-of-flight mass spectrometry with tile-based Fisher ratio and combinatorial threshold determination

    Energy Technology Data Exchange (ETDEWEB)

    Parsons, Brendon A.; Pinkerton, David K.; Wright, Bob W.; Synovec, Robert E.

    2016-04-01

    The illicit chemical alteration of petroleum fuels is of scientific interest, particularly to regulatory agencies which set fuel specifications, or excises based on those specifications. One type of alteration is the reaction of diesel fuel with concentrated sulfuric acid. Such reactions are known to subtly alter the chemical composition of the fuel, particularly the aromatic species native to the fuel. Comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry (GC × GC–TOFMS) is ideally suited for the analysis of diesel fuel, but may provide the analyst with an overwhelming amount of data, particularly in sample-class comparison experiments comprised of many samples. The tile-based Fisher-ratio (F-ratio) method reduces the abundance of data in a GC × GC–TOFMS experiment to only the peaks which significantly distinguish the unaltered and acid altered sample classes. Three samples of diesel fuel from different filling stations were each altered to discover chemical features, i.e., analyte peaks, which were consistently changed by the acid reaction. Using different fuels prioritizes the discovery of features which are likely to be robust to the variation present between fuel samples and which will consequently be useful in determining whether an unknown sample has been acid altered. The subsequent analysis confirmed that aromatic species are removed by the acid alteration, with the degree of removal consistent with predicted reactivity toward electrophilic aromatic sulfonation. Additionally, we observed that alkenes and alkynes were also removed from the fuel, and that sulfur dioxide or compounds that degrade to sulfur dioxide are generated by the acid alteration. In addition to applying the previously reported tile-based F-ratio method, this report also expands null distribution analysis to algorithmically determine an F-ratio threshold to confidently select only the features which are sufficiently class-distinguishing. When

  2. Ruslands Gas

    OpenAIRE

    Elkjær, Jonas Bondegaard

    2008-01-01

    This paper is about Russian natural gas and the possibility for Russia to use its reserves of natural gas politically towards the European Union to obtain some political power. Russia owns 32,1 % of the world gas reserves, and The European Union is getting 50 % of its gas import from Russia. I will use John Mearsheimer’s theory ”The Tragedy of Great Power Politics” to explain how Russia can use its big reserves of gas on The European Union to get political influence.

  3. An improved dispersive solid-phase extraction clean-up method for the gas chromatography-negative chemical ionisation tandem mass spectrometric determination of multiclass pesticide residues in edible oils.

    Science.gov (United States)

    Deme, Pragney; Azmeera, Tirupathi; Prabhavathi Devi, B L A; Jonnalagadda, Padmaja R; Prasad, R B N; Vijaya Sarathi, U V R

    2014-01-01

    An improved sample preparation using dispersive solid-phase extraction clean-up was proposed for the trace level determination of 35 multiclass pesticide residues (organochlorine, organophosphorus and synthetic pyrethroids) in edible oils. Quantification of the analytes was carried out by gas chromatography-mass spectrometry in negative chemical ionisation mode (GC-NCI-MS/MS). The limit of detection and limit of quantification of residues were in the range of 0.01-1ng/g and 0.05-2ng/g, respectively. The analytes showed recoveries between 62% and 110%, and the matrix effect was observed to be less than 25% for most of the pesticides. Crude edible oil samples showed endosulfan isomers, p,p'-DDD, α-cypermethrin, chlorpyrifos, and diazinon residues in the range of 0.56-2.14ng/g. However, no pesticide residues in the detection range of the method were observed in refined oils. Copyright © 2013 Elsevier Ltd. All rights reserved.

  4. Analysis of aldehydes in beer by gas-diffusion microextraction: characterization by high-performance liquid chromatography-diode-array detection-atmospheric pressure chemical ionization-mass spectrometry.

    Science.gov (United States)

    Gonçalves, Luís Moreira; Magalhães, Paulo Jorge; Valente, Inês Maria; Pacheco, João Grosso; Dostálek, Pavel; Sýkora, David; Rodrigues, José António; Barros, Aquiles Araújo

    2010-06-11

    In this work, a recently developed extraction technique for sample preparation aiming the analysis of volatile and semi-volatile compounds named gas-diffusion microextraction (GDME) is applied in the chromatographic analysis of aldehydes in beer. Aldehydes-namely acetaldehyde (AA), methylpropanal (MA) and furfural (FA)-were simultaneously extracted and derivatized with 2,4-dinitrophenylhydrazine (DNPH), then the derivatives were separated and analyzed by high-performance liquid chromatography with spectrophotometric detection (HPLC-UV). The identity of the eluted compounds was confirmed by high-performance liquid chromatography-atmospheric pressure chemical ionization-mass-spectrometry detection in the negative ion mode (HPLC-APCI-MS). The developed methodology showed good repeatability (ca. 5%) and linearity as well as good limits of detection (AA-12.3, FA-1.5 and MA 5.4microgL(-1)) and quantification (AA-41, FA-4.9 and MA 18microgL(-1)); it also appears to be competitive in terms of speed and cost of analysis. Copyright 2010 Elsevier B.V. All rights reserved.

  5. Determination of 2-, 3-, 4-methylpentanoic and cyclohexanecarboxylic acids in wine: development of a selective method based on solid phase extraction and gas chromatography-negative chemical ionization mass spectrometry and its application to different wines and alcoholic beverages.

    Science.gov (United States)

    Gracia-Moreno, Elisa; Lopez, Ricardo; Ferreira, Vicente

    2015-02-13

    A method to analyse 2-methylpentanoic, 3-methylpentanoic and 4-methylpentanoic acids as well as cyclohexanecarboxylic acid has been developed and applied to wine and other alcoholic beverages. Selective isolation with solid phase extraction, derivatization with 2,3,4,5,6-pentafluorobenzyl bromide at room temperature for 30 minutes, and further analysis by gas chromatography-mass spectrometry in negative chemical ionization mode provides detection limits between 0.4 and 2.4 ng/L. Good linearity up to 3.6 μg/L, satisfactory reproducibility (RSDalcoholic beverages are reported for the first time. The levels found ranged from the method detection limits to 2630 ng/L, 2040 ng/L and 3810 ng/L for 2-, 3- and 4-methylpentanoic acids, respectively, and to 1780 ng/L for cyclohexanecarboxylic acid. There are significant differences depending on the type of wine or beverage. Distilled beverages, beer and aged wines have higher contents in methylpentanoic and cyclohexanecarboxylic acids. Copyright © 2015 Elsevier B.V. All rights reserved.

  6. Ion-stimulated Gas Desorption Yields of Electropolished, Chemically Etched, and Coated (Au, Ag, Pd, TiZrV) Stainless Steel Vacuum Chambers and St707 Getter Strips Irradiated with 4.2 MeV/u lead ions

    CERN Document Server

    Mahner, E; Küchler, D; Malabaila, M; Taborelli, M

    2005-01-01

    The ion-induced desorption experiment, installed in the CERN Heavy Ion Accelerator LINAC 3, has been used to measure molecular desorption yields for 4.2 MeV/u lead ions impacting under grazing incidence on different accelerator-type vacuum chambers. Desorption yields for H2, CH4, CO, and CO2, which are of fundamental interest for future accelerator applications, are reported for different stainless steel surface treatments. In order to study the effect of the surface oxide layer on the gas desorption, gold-, silver-, palladium-, and getter-coated 316 LN stainless steel chambers and similarly prepared samples were tested for desorption at LINAC 3 and analysed for chemical composition by X-ray Photoemission Spectroscopy (XPS). The large effective desorption yield of 2 x 104 molecules/Pb53+ ion, previously measured for uncoated, vacuum fired stainless steel, was reduced after noble-metal coating by up to 2 orders of magnitude. In addition, pressure rise measurements, the effectiveness of beam scrubbing with le...

  7. Chemical evolution of galaxies

    CERN Document Server

    Matteucci, Francesca

    2012-01-01

    The term “chemical evolution of galaxies” refers to the evolution of abundances of chemical species in galaxies, which is due to nuclear processes occurring in stars and to gas flows into and out of galaxies. This book deals with the chemical evolution of galaxies of all morphological types (ellipticals, spirals and irregulars) and stresses the importance of the star formation histories in determining the properties of stellar populations in different galaxies. The topic is approached in a didactical and logical manner via galaxy evolution models which are compared with observational results obtained in the last two decades: The reader is given an introduction to the concept of chemical abundances and learns about the main stellar populations in our Galaxy as well as about the classification of galaxy types and their main observables. In the core of the book, the construction and solution of chemical evolution models are discussed in detail, followed by descriptions and interpretations of observations of ...

  8. Rapid chemical separations

    CERN Document Server

    Trautmann, N

    1976-01-01

    A survey is given on the progress of fast chemical separation procedures during the last few years. Fast, discontinuous separation techniques are illustrated by a procedure for niobium. The use of such techniques for the chemical characterization of the heaviest known elements is described. Other rapid separation methods from aqueous solutions are summarized. The application of the high speed liquid chromatography to the separation of chemically similar elements is outlined. The use of the gas jet recoil transport method for nuclear reaction products and its combination with a continuous solvent extraction technique and with a thermochromatographic separation is presented. Different separation methods in the gas phase are briefly discussed and the attachment of a thermochromatographic technique to an on-line mass separator is shown. (45 refs).

  9. Measurement of breakthrough volumes of volatile chemical warfare agents on a poly(2,6-diphenylphenylene oxide)-based adsorbent and application to thermal desorption-gas chromatography/mass spectrometric analysis.

    Science.gov (United States)

    Kanamori-Kataoka, Mieko; Seto, Yasuo

    2015-09-04

    To establish adequate on-site solvent trapping of volatile chemical warfare agents (CWAs) from air samples, we measured the breakthrough volumes of CWAs on three adsorbent resins by an elution technique using direct electron ionization mass spectrometry. The trapping characteristics of Tenax(®) TA were better than those of Tenax(®) GR and Carboxen(®) 1016. The latter two adsorbents showed non-reproducible breakthrough behavior and low VX recovery. The specific breakthrough values were more than 44 (sarin) L/g Tenax(®) TA resin at 20°C. Logarithmic values of specific breakthrough volume for four nerve agents (sarin, soman, tabun, and VX) showed a nearly linear correlation with the reciprocals of their boiling points, but the data point of sulfur mustard deviated from this linear curve. Next, we developed a method to determine volatile CWAs in ambient air by thermal desorption-gas chromatography (TD-GC/MS). CWA solutions that were spiked into the Tenax TA(®) adsorbent tubes were analyzed by a two-stage TD-GC/MS using a Tenax(®) TA-packed cold trap tube. Linear calibration curves for CWAs retained in the resin tubes were obtained in the range between 0.2pL and 100pL for sarin, soman, tabun, cyclohexylsarin, and sulfur mustard; and between 2pL and 100pL for VX and Russian VX. We also examined the stability of CWAs in Tenax(®) TA tubes purged with either dry or 50% relative humidity air under storage conditions at room temperature or 4°C. More than 80% sarin, soman, tabun, cyclohexylsarin, and sulfur mustard were recovered from the tubes within 2 weeks. In contrast, the recoveries of VX and Russian VX drastically reduced with storage time at room temperature, resulting in a drop to 10-30% after 2 weeks. Moreover, we examined the trapping efficiency of Tenax TA(®) adsorbent tubes for vaporized CWA samples (100mL) prepared in a 500mL gas sampling cylinder. In the concentration range of 0.2-2.5mg/m(3), >50% of sarin, soman, tabun, cyclohexylsarin, and HD were

  10. Requirements for gas quality and gas appliances

    NARCIS (Netherlands)

    Levinsky, Howard; Gersen, Sander; Kiewiet, Bert

    2015-01-01

    Introduction The gas transmission network in the Netherlands transports two different qualities of gas, low-calorific gas known as G-gas or L-gas and, high calorific gas (H-gas). These two gas qualities are transported in separate networks, and are connected by means of five blending and conversion

  11. Gas separating

    Science.gov (United States)

    Gollan, A.

    1988-03-29

    Feed gas is directed tangentially along the non-skin surface of gas separation membrane modules comprising a cylindrical bundle of parallel contiguous hollow fibers supported to allow feed gas to flow from an inlet at one end of a cylindrical housing through the bores of the bundled fibers to an outlet at the other end while a component of the feed gas permeates through the fibers, each having the skin side on the outside, through a permeate outlet in the cylindrical casing. 3 figs.

  12. Selected readings in chemical kinetics

    CERN Document Server

    Back, Margaret H

    2013-01-01

    Selected Readings in Chemical Kinetics covers excerpts from 12 papers in the field of general and gas-phase kinetics. The book discusses papers on the laws of connexion between the conditions of a chemical change and its amount; on the reaction velocity of the inversion of the cane sugar by acids; and the calculation in absolute measure of velocity constants and equilibrium constants in gaseous systems. The text then tackles papers on simple gas reactions; on the absolute rate of reactions in condensed phases; on the radiation theory of chemical action; and on the theory of unimolecular reacti

  13. Gas treating absorption theory and practice

    CERN Document Server

    Eimer, Dag

    2014-01-01

    Gas Treating: Absorption Theory and Practice provides an introduction to the treatment of natural gas, synthesis gas and flue gas, addressing why it is necessary and the challenges involved.  The book concentrates in particular on the absorption-desorption process and mass transfer coupled with chemical reaction. Following a general introduction to gas treatment, the chemistry of CO2, H2S and amine systems is described, and selected topics from physical chemistry with relevance to gas treating are presented. Thereafter the absorption process is discussed in detail, column hardware is explain

  14. Gas exploitation and gas conversion; Gassutnyttelse og gasskonvertering

    Energy Technology Data Exchange (ETDEWEB)

    Laading, Gjert

    1998-07-01

    This presentation deals with some of the challenges and possibilities connected with ''stranded'' gas. These are offshore gas reserves, especially associated gas, that is not connected with the market and that cannot be piped onshore, and where reinjection is not profitable, and where flaring off is not an option. There is increasing interest all over the world to find economical and environmentally friendly solutions to this problem. A good solution will render such fields economically developable and will to a high degree increase the total volume of the world's exploitable gas reserves. Since synthesis gas is a dominating cost element in most chemical conversion processes for gas, the synthesis gases are discussed in some detail. There is also a discussion of the conversion of the gas to Methanol, Synthetic oil (Syncrude and Synfuels) and to DME (Di-methyl-ether). Two methods for gas transport from the field are discussed; LNG on floating production storage and off loading (FPSO), and Gas hydrates. Principles, limitations and conditions for placing those processes on a FPSO. Finally, the presentation discusses the most important economic factors related to the exploitation of offshore gas, and suggests some possibilities for future development.11 figs.

  15. Development and validation of a gas chromatography-negative chemical ionization tandem mass spectrometry method for the determination of ethyl glucuronide in hair and its application to forensic toxicology.

    Science.gov (United States)

    Kharbouche, Hicham; Sporkert, Frank; Troxler, Stéphanie; Augsburger, Marc; Mangin, Patrice; Staub, Christian

    2009-08-01

    Ethyl glucuronide (EtG) is a minor and direct metabolite of ethanol. EtG is incorporated into the growing hair allowing retrospective investigation of chronic alcohol abuse. In this study, we report the development and the validation of a method using gas chromatography-negative chemical ionization tandem mass spectrometry (GC-NCI-MS/MS) for the quantification of EtG in hair. EtG was extracted from about 30 mg of hair by aqueous incubation and purified by solid-phase extraction (SPE) using mixed mode extraction cartridges followed by derivation with perfluoropentanoic anhydride (PFPA). The analysis was performed in the selected reaction monitoring (SRM) mode using the transitions m/z 347-->163 (for the quantification) and m/z 347-->119 (for the identification) for EtG, and m/z 352-->163 for EtG-d(5) used as internal standard. For validation, we prepared quality controls (QC) using hair samples taken post mortem from 2 subjects with a known history of alcoholism. These samples were confirmed by a proficiency test with 7 participating laboratories. The assay linearity of EtG was confirmed over the range from 8.4 to 259.4 pg/mg hair, with a coefficient of determination (r(2)) above 0.999. The limit of detection (LOD) was estimated with 3.0 pg/mg. The lower limit of quantification (LLOQ) of the method was fixed at 8.4 pg/mg. Repeatability and intermediate precision (relative standard deviation, RSD%), tested at 4 QC levels, were less than 13.2%. The analytical method was applied to several hair samples obtained from autopsy cases with a history of alcoholism and/or lesions caused by alcohol. EtG concentrations in hair ranged from 60 to 820 pg/mg hair.

  16. Determination of endocrine disrupting chemicals and antiretroviral compounds in surface water: A disposable sorptive sampler with comprehensive gas chromatography - Time-of-flight mass spectrometry and large volume injection with ultra-high performance liquid chromatography-tandem mass spectrometry.

    Science.gov (United States)

    Wooding, Madelien; Rohwer, Egmont R; Naudé, Yvette

    2017-05-05

    Many rural dwellers and inhabitants of informal settlements in South Africa are without access to treated water and collect untreated water from rivers and dams for personal use. Endocrine disrupting chemicals (EDCs) have been detected in surface water and wildlife of South Africa. EDCs are often present in complex environmental matrices at ultra-trace levels complicating detection thereof. We report a simplified multi-residue approach for the detection and quantification of EDCs, emerging EDCs, and antiretroviral drugs in surface water. A low cost (less than one US dollar), disposable, sorptive extraction sampler was prepared in-house. The disposable samplers consisted of polydimethylsiloxane (PDMS) tubing fashioned into a loop which was then placed in water samples to concentrate EDCs and emerging pollutants. The PDMS samplers were thermally desorbed directly in the inlet of a GC, thereby eliminating the need for expensive consumable cryogenics. Comprehensive gas chromatography coupled to time-of-flight mass spectrometry (GC×GC-TOFMS) was used for compound separation and identification. Linear retention indices of EDCs and emerging pollutants were determined on a proprietary Crossbond® phase Rtx®-CLPesticides II GC capillary column. In addition, large volume injection of surface water into an ultra-performance liquid chromatograph tandem mass spectrometer (UPLC-MS/MS) was used as complementary methodology for the detection of less volatile compounds. Large volume injection reduced tedious and costly sample preparation steps. Limits of detection for the GC method ranged from 1 to 98pg/l and for the LC method from 2 to 135ng/l. Known and emerging EDCs such as pharmaceuticals, personal care products and pesticides, as well as the antiretroviral compounds, efavirenz and nevirapine, were detected in surface water from South Africa at concentration levels ranging from 0.16ng/l to 227ng/l. Copyright © 2017 Elsevier B.V. All rights reserved.

  17. Use of the dried blood spot sampling process coupled with fast gas chromatography and negative-ion chemical ionization tandem mass spectrometry: application to fluoxetine, norfluoxetine, reboxetine, and paroxetine analysis.

    Science.gov (United States)

    Déglon, Julien; Lauer, Estelle; Thomas, Aurélien; Mangin, Patrice; Staub, Christian

    2010-04-01

    The objective of this work was to combine the advantages of the dried blood spot (DBS) sampling process with the highly sensitive and selective negative-ion chemical ionization tandem mass spectrometry (NICI-MS-MS) to analyze for recent antidepressants including fluoxetine, norfluoxetine, reboxetine, and paroxetine from micro whole blood samples (i.e., 10 microL). Before analysis, DBS samples were punched out, and antidepressants were simultaneously extracted and derivatized in a single step by use of pentafluoropropionic acid anhydride and 0.02% triethylamine in butyl chloride for 30 min at 60 degrees C under ultrasonication. Derivatives were then separated on a gas chromatograph coupled with a triple-quadrupole mass spectrometer operating in negative selected reaction monitoring mode for a total run time of 5 min. To establish the validity of the method, trueness, precision, and selectivity were determined on the basis of the guidelines of the "Société Française des Sciences et des Techniques Pharmaceutiques" (SFSTP). The assay was found to be linear in the concentration ranges 1 to 500 ng mL(-1) for fluoxetine and norfluoxetine and 20 to 500 ng mL(-1) for reboxetine and paroxetine. Despite the small sampling volume, the limit of detection was estimated at 20 pg mL(-1) for all the analytes. The stability of DBS was also evaluated at -20 degrees C, 4 degrees C, 25 degrees C, and 40 degrees C for up to 30 days. Furthermore, the method was successfully applied to a pharmacokinetic investigation performed on a healthy volunteer after oral administration of a single 40-mg dose of fluoxetine. Thus, this validated DBS method combines an extractive-derivative single step with a fast and sensitive GC-NICI-MS-MS technique. Using microliter blood samples, this procedure offers a patient-friendly tool in many biomedical fields such as checking treatment adherence, therapeutic drug monitoring, toxicological analyses, or pharmacokinetic studies.

  18. Landfill gas

    Energy Technology Data Exchange (ETDEWEB)

    Hartnell, Gaynor [Landfill Gas Association (United Kingdom)

    2000-07-01

    Following the UK Government's initiative for stimulating renewable energy through the Non-Fossil Fuel Obligation (NFFO), the UK landfill gas industry has more than trebled in size in just 4 years. As a result, UK companies are now in a strong position to offer their skills and services overseas. Ireland, Greece and Spain also resort heavily to disposal to landfill. Particularly rapid growth of the landfill gas market is expected in the OECD-Pacific and NAFTA areas. The article explains that landfill gas is a methane-rich mixture produced by anaerobic decomposition of organic wastes in landfills: under optimum conditions, up to 500 cubic meters of gas can be obtained from 1 tonne of biodegradable waste. Data on the number and capacity of sites in the UK are given. The Landfill Gas Association runs courses to counteract the skills shortage in the UK, and tailored courses for overseas visitors are planned.

  19. Conductometric Gas Nanosensors

    Directory of Open Access Journals (Sweden)

    Girolamo Di Francia

    2009-01-01

    Full Text Available This paper presents a review of the current research activities in the field of gas nanosensors. Nanomaterials are characterized by physical and chemical properties that differ from their macroscopic counterparts and, in particular, by an enhanced chemical reactivity even at room temperature. This effect has stimulated the development of chemical sensors based on several different nanomaterials. Here we focus most attention on carbon nanotubes, silicon and metal oxide nanoparticles and metal nanowires. After introducing a few general definitions a discussion on the fundamental properties of the nanostate used in the sensor field is presented and several nanosensors, based on the aforementioned nanomaterials, are discussed. Finally, some personal conclusions will be drawn.

  20. Reduction of diesel engine emissions through the recirculation of cooled exhaust gas; Senkung von Diesel-Emissionen durch Rueckfuehrung von gekuehltem Abgas

    Energy Technology Data Exchange (ETDEWEB)

    Lutz, R. [Behr GmbH und Co., Stuttgart (Germany). Entwicklungsteam Abgaswaermeuebertrager

    1997-09-01

    More stringent exhaust regulations for diesel engines which will come into force in Europe (Euro III, 1999) and the USA (2004) will necessitate new methods of reducing emissions, one of which entails the recirculation of cooled exhaust gas. By this process, a certain volume of the exhaust gas is bled off upstream of the turbine, cooled by the engine coolant and remixed with the combustion air down-stream of the intercooler. By contrast with other methods of exhaust gas purification, such as a lean-NO{sub x} catalytic converter, this process needs no second activating agent, such as urea, and, in comparison with a modification of the combustion process, only slightly more fuel. The heat transfer system developed by Behr, which uses the engine coolant to cool the exhaust gas, is capable of withstanding the high temperatures and pressures in the forward section of the exhaust system, is resistant to the sulphuric acid in diesel condensation and, despite its compact design, exhibits a low level of flow resistance. Its exceptional cooling capacity is achieved by a new heat transfer system employing `winglet` turbulence generators. These reduce deposits of soot and other particles on the walls of the heat exchanger to a considerable extent, thereby contributing to its long-term efficiency. (orig.) [Deutsch] Durch die Einfuehrung neuer, strengerer Abgasvorschriften fuer Dieselmotoren 1999 in Europa und 2004 in den USA ruecken neue Techniken zur Emissionssenkung ins Blickfeld. Eine davon ist die gekuehlte Abgasrueckfuehrung, die eine Emissionssenkung bei nur minimalem Anstieg des Kraftstoffverbrauchs erlaubt. An den Waermeuebertrager fuer solch ein System werden hinsichtlich kompakter Bauweise und Leistung, Temperaturbestaendigkeit, Verschutzungs-Unempfindlichkeit und Korrosionsbestaendigkeit hohe Anforderungen gestellt. Der von Behr entwickelte Abgas-Kuehlmittel-Waermeuebertrager erfuellt diese Anforderungen und zeichnet sich durch eine hohe Leistungsdichte aus. Dies

  1. Principles of chemical kinetics

    CERN Document Server

    House, James E

    2007-01-01

    James House's revised Principles of Chemical Kinetics provides a clear and logical description of chemical kinetics in a manner unlike any other book of its kind. Clearly written with detailed derivations, the text allows students to move rapidly from theoretical concepts of rates of reaction to concrete applications. Unlike other texts, House presents a balanced treatment of kinetic reactions in gas, solution, and solid states. The entire text has been revised and includes many new sections and an additional chapter on applications of kinetics. The topics covered include quantitative rela

  2. Gas transmission through microporous membranes

    Science.gov (United States)

    Turel, Tacibaht

    2008-10-01

    An ideal protective clothing material should be a good barrier against harmful gases or vapor while allowing moisture vapor and air passage through the material. In the study and design of barrier materials, one of the critical issues is to balance these requirements, which may sometimes be mutually exclusive. Therefore it is critical to understand the macroscopic and microscopic structure of the attack mechanisms as well as the barrier materials and the transport phenomena in such systems. In this study, air and gas transmission through barrier systems consisting of porous membranes was investigated experimentally and a molecular-level probabilistic model was constructed to evaluate the effect of various parameters on the gas flow. The effect of membrane parameters such as porosity, pore size distribution, thickness as well as gas parameters such as molecule diameters were examined at single layer as well as multiple layers. To understand the gas behavior for harmful chemicals and to ensure safety during experimental studies, mimics of such gases were obtained which were comparable to the actual gases in shape, molecular weight and other chemical properties. Air, ammonia and several mimic gases of harmful chemical agents were studied. Beta-pinene was used as a mimic of sarin and prenol was used as a mimic of nitrogen mustard. Gas transmission experiments were conducted on polyester, nylon and polypropylene membranes each of which had different porosity and pore size distributions. Experiments were done at different pressure values and a comparison was made between permeability testing machines based on volumetric and manometric principles as to their ability to accommodate high permeability membranes. Physical and chemical adsorption of such gases on porous membranes was also investigated after the addition of active elements on the membrane surfaces which can interact with the gas molecules. An experimental setup was developed to measure concentration changes

  3. Chemical release module facility

    Science.gov (United States)

    Reasoner, D. L.

    1980-01-01

    The chemical release module provides the capability to conduct: (1) thermite based metal vapor releases; (2) pressurized gas releases; (3) dispersed liquid releases; (4) shaped charge releases from ejected submodules; and (5) diagnostic measurements with pi supplied instruments. It also provides a basic R-F and electrical system for: (1) receiving and executing commands; (2) telemetering housekeeping data; (3) tracking; (4) monitoring housekeeping and control units; and (5) ultrasafe disarming and control monitoring.

  4. Chemical transport reactions

    CERN Document Server

    Schäfer, Harald

    2013-01-01

    Chemical Transport Reactions focuses on the processes and reactions involved in the transport of solid or liquid substances to form vapor phase reaction products. The publication first offers information on experimental and theoretical principles and the transport of solid substances and its special applications. Discussions focus on calculation of the transport effect of heterogeneous equilibria for a gas motion between equilibrium spaces; transport effect and the thermodynamic quantities of the transport reaction; separation and purification of substances by means of material transport; and

  5. An innovative ultrasound assisted extraction micro-scale cell combined with gas chromatography/mass spectrometry in negative chemical ionization to determine persistent organic pollutants in air particulate matter.

    Science.gov (United States)

    Beristain-Montiel, E; Villalobos-Pietrini, R; Arias-Loaiza, G E; Gómez-Arroyo, S L; Amador-Muñoz, O

    2016-12-16

    New clean technologies are needed to determine concentration of organic pollutants without generating more pollution. A method to extract Persistent Organic Pollutants (POPs) from airborne particulate matter was developed using a novel technology recently patented called ultrasound assisted extraction micro-scale cell (UAE-MSC). This technology extracts, filters, collects the sample, and evaporates the solvent, on-line. No sample transfer is needed. The cell minimizes sample manipulation, solvent consumption, waste generation, time, and energy; fulfilling most of the analytical green chemistry protocol. The methodology was optimized applying a centred 23 factorial experimental design. Optimum conditions were used to validate and determine concentration of 16 organochlorine pesticides (OCls) and 6 polybrominated diphenyl ethers (PBDEs). The best conditions achieved were 2 extractions with 5mL (each) of dichloromethane over 5min (each) at 60°C and 80% ultrasound potency. POPs were determined by gas chromatography/mass spectrometry in negative chemical ionization (GC/MS-NCI). Analytical method validation was carried out on airborne particles spiked with POPs at seven concentration levels between 0.5 and 26.9pgm-3. This procedure was done by triplicate (N=21). Recovery, ranged between 65.5±2.3% and 107.5±3.0% for OCls and between 79.1±6.5% and 105.2±3.8% for PBDEs. Linearity (r2) was ≥0.94 for all compounds. Method detection limits, ranged from 0.5 to 2.7pgm-3, while limits of quantification (LOQ), ranged from 1.7 to 9.0pgm-3. A Bias from -18.6% to 9% for PBDEs was observed in the Standard Reference Material (SRM) 2787. SRM 2787 did not contain OCls. OCls recoveries were equivalent by UAE-MSC and Soxhlet methods UAE-MSC optimized extraction conditions reduced 30 times less solvent and decreased the extraction time from several hours to ten minutes, respect to Soxhlet. UAE-MSC was applied to 15 samples of particles less than 2.5μm (PM2.5) from three seasons

  6. Conformational properties of 1-silyl-1-silacyclohexane, C(5)H(10)SiHSiH(3): gas electron diffraction, low-temperature NMR, temperature-dependent Raman spectroscopy, and quantum chemical calculations (&).

    Science.gov (United States)

    Wallevik, Sunna O; Bjornsson, Ragnar; Kvaran, Agúst; Jonsdottir, Sigridur; Arnason, Ingvar; Belyakov, Alexander V; Baskakov, Alexander A; Hassler, Karl; Oberhammer, Heinz

    2010-02-11

    The molecular structure of axial and equatorial conformers of 1-silyl-silacyclohexane, C(5)H(10)SiHSiH(3), and the thermodynamic equilibrium between these species were investigated by means of gas electron diffraction (GED), dynamic nuclear magnetic resonance (DNMR), temperature-dependent Raman spectroscopy, and quantum chemical calculations (CCSD(T), MP2 and DFT methods). According to GED, the compound exists as a mixture of two conformers possessing the chair conformation of the six-membered ring and C(s) symmetry and differing in the axial or equatorial position of the SiH(3) group (axial = 57(7) mol %/equatorial = 43(7) mol %) at T = 321 K. This corresponds to an A value (free energy difference = G(axial) - G(equatorial)) of -0.17(15) kcal mol(-1). A low-temperature (13)C NMR experiment using SiD(4) as a solvent resulted in an axial/equatorial ratio of 45(3)/55(3) mol % at 110 K corresponding to an A value of 0.05(3) kcal mol(-1), and a DeltaG(#) value of 5.7(2) kcal mol(-1) was found at 124 K. Temperature-dependent Raman spectroscopy in the temperature range of 210-300 K of the neat liquid, a THF solution, and a heptane solution indicates that the axial conformer is favored over the equatorial one by 0.26(10), 0.23(10), and 0.22(10) kcal mol(-1) (DeltaH values), respectively. CCSD(T)/CBS and MP2/CBS calculations in general predict both conformations to have very similar stability and are, thus, in excellent agreement with the DNMR result but in a slight disagreement with the GED and Raman results. Two DFT functionals, that account for dispersion interactions, M06-2X/pc-3 and B2PLYP-D/QZVPP, deviate from the high-level coupled cluster and MP2 calculations by only 0.1 kcal mol(-1) on average, whereas B3LYP/pc-3 calculations greatly overestimate the stability of the equatorial conformer.

  7. Combining research in physical chemistry and chemical education: Part A. The femtosecond molecular dynamics of small gas-phase anion clusters. Part B. Surveying student beliefs about chemistry and the development of physical chemistry learning tutorials

    Science.gov (United States)

    Barbera, Jack

    2007-12-01

    This dissertation combines work in the areas of experimental physical chemistry and chemical education. In the area of physical chemistry, femtosecond pump-probe spectroscopy is used to interrogate the time-dependence for energy redistribution, solvent reorientation, and dissociation dynamics in small gas-phase anion clusters. The chemical education research addressed in this manuscript include the development and validation of a survey to measure students' beliefs about chemistry and the learning of chemistry and the development and testing of learning tutorials for use in undergraduate physical chemistry courses in thermodynamics and kinetics. In the first part of this dissertation, the Cu(CD3OD) dynamics are investigated using a combination of femtosecond pump-probe experiments and ab initio calculations. Dissociation of this complex into Cu and CD3OD occurs on two distinct time scales: 3 and 30 ps, which arise, respectively, from the coupling of intermolecular solvent rotations and excited methyl rotor rotation into the Cu-O dissociation component upon electron photodetachment of the precursor anion. In the second part of this dissertation, the time-resolved recombination of photodissociated IBr-(CO2)n (n = 5 - 10) cluster anions is investigated. Upon excitation to the A' 2pi 1/2 state of the chromophore, the bare anion results in I- and Br products, upon solvation with CO2, the IBr- chromophore regains near-IR absorption after recombination and vibrational relaxation on the ground electronic state. The recombination times vary with the number of solvent molecules from 12 ps for n = 5 to 900 ps for n = 10. Extensive electronic structure and non-adiabatic molecular dynamic simulations provide a framework to understand this behavior. In the third part of this dissertation, the modification and validation of the Colorado Learning Attitudes about Science Survey (CLASS) for use in chemistry is presented in detail. The CLASS survey is designed to measure student

  8. Composición química, producción de gas in vitro y astringencia en el follaje de Samanea saman (Jacq. Merrill Chemical composition, in vitro gas production and astringency in the foliage of Samanea saman (Jacq. Merrill

    Directory of Open Access Journals (Sweden)

    A Ojeda

    2012-06-01

    Full Text Available Con el objetivo de determinar la composición química, la astringencia, la producción de gas y la degradabilidad ruminal in vitro de la fracción comestible de Samanea saman, durante el año 2009 se realizaron cinco muestreos (febrero, abril, mayo, junio y octubre en plantas localizadas en un bosque semicaducifolio tropical en Venezuela. En cada muestreo se consideraron 10 plantas diferentes, cada una como una réplica evaluada en un diseño completamente aleatorizado. No hubo variación (P>0,05 en la MO (94,1 ± 1,5%, la PC (20,1 ± 1,5%, la hemicelulosa (17,5 ± 3,7%, la celulosa (10,5 ± 2,5%, la lignina (11,1 ± 1,8% y los fenoles totales (2,8 ± 1,1%. De mayo a octubre se observaron los mayores valores (PIn order to determine the chemical composition, astringency, in vitro gas production and ruminal degradability of the edible fraction of Samanea saman, during 2009, five samplings (February, April, May, June and October were conducted on plants located in a semideciduous tropical forest in Venezuela. In each sampling 10 different plants were considered, each as a replicate evaluated in a completely randomized design. OM (94,1 ± 1,5%, CP (20,1 ± 1,5%, hemicellulose (17,5 ± 3,7%, cellulose (10,5 ± 2,5%, lignin (11,1 ± 1,8%, and total phenols (2,8 ± 1,1% did not show variations (P<0,05. From May to October, the highest values (P<0,05 of EE (5,3 ± 0,8%, NDF (44,8 ± 3,3%, ADF (16,7 ± 1,9%, and Ca (1,3 ± 0,2% were observed; while total (P<0,05 and condensed tannins (P<0,01 increased in October (3,75% and 0,99%, respectively. Astringency was not detected from February to May, and had limited values from June to October (0,4 ± 0,2 g Eta/100 g DM. No differences were observed in b (0,04 ± 0,01 mL/h, To (1,2 ± 0,2 h and T½ (21,3 ± 3,3 h with the highest gas potential production in February (63,3 mL/g DM. The OM and NDF degradability was reduced (P<0,05 in April (44,7% and 24,7%, respectively, without differences during the remaining

  9. Chemical use

    Data.gov (United States)

    US Fish and Wildlife Service, Department of the Interior — This is a summary of research and activities related to chemical use on Neal Smith National Wildlife Refuge between 1992 and 2009. The chemicals used on the Refuge...

  10. Removing hydrogen sulphide from a gas mixture

    Energy Technology Data Exchange (ETDEWEB)

    Christy, J.G.

    1990-07-31

    This invention relates, in particular, to removing hydrogen sulfide from a gas mixture in which the molar ratio of carbon dioxide to hydrogen sulfide is very large, for example between 20 and 45. Examples of such mixtures include natural gas or gas produced by coal gasification. According to the invention, the gas mixture is contacted in a main absorber at an elevated temperature with lean and regenerable aqueous absorbent to obtain a purified gas mixture and a loaded absorbent. The loaded absorbent is introduced into a separation vessel at a reduced pressure, and flash-off gas and partially regenerated absorbent are removed from the vessel. Hydrogen sulfide is removed from the flash-off gas to obtain a lean gas, and the removed hydrogen sulfide is converted into elemental sulfur. The partially regenerated absorbent is introduced into a regenerator to obtain lean absorbent for use in the first step, and a regenerator off-gas including hydrogen sulfide. The regenerator off-gas is supplied to a sulfur recovery plant to obtain elemental sulfur and a SO{sub 2}-containing off-gas. This off-gas is treated in a converter to obtain a reduced off-gas. At least part of the lean gas obtained in a previous step is mixed with the reduced plant off-gas, and the remainder is mixed with the plant off-gas. Hydrogen sulfide is removed from the mixture of reduced off-gas and lean gas to obtain substantially hydrogen sulfide-free off-gas; the removed hydrogen sulfide is converted into elemental sulfur. The absorbent used in this process includes a chemical absorbent, such as an amine, and a physical absorbent, such as sulfolane. 1 fig.

  11. Flue gas cleaning chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Gutberlet, H. [VEBA Kraftwerke Ruhr AG, Gelsenkirchen (Germany)

    1996-12-01

    The introduction of modern flue gas cleaning technology into fossil-fueled power stations has repeatedly confronted the power station chemists with new and interesting problems over the last 15 - 20 years. Both flue gas desulphurization by lime washing and catalytic removal of nitrogen oxides are based on simple basic chemical reactions. Owing to the use of readily available starting materials, the production of safe, useful end products and, last but not least, the possibility of implementing all this on an industrial scale by means of efficient process engineering, limestone desulphurization and catalytic removal of nitrogen oxides dominate the world market and, little by little, are becoming still more widespread. The origin and thus the quality of fuels and starting materials, the firing method, the mode of operation and engineering peculiarities in each plant interact in a complex manner. Simple cause/effect relationships are frequently incapable of explaining phenomena; thinking in complex interrelationships is needed. (EG)

  12. Chemical Kinetics Database

    Science.gov (United States)

    SRD 17 NIST Chemical Kinetics Database (Web, free access)   The NIST Chemical Kinetics Database includes essentially all reported kinetics results for thermal gas-phase chemical reactions. The database is designed to be searched for kinetics data based on the specific reactants involved, for reactions resulting in specified products, for all the reactions of a particular species, or for various combinations of these. In addition, the bibliography can be searched by author name or combination of names. The database contains in excess of 38,000 separate reaction records for over 11,700 distinct reactant pairs. These data have been abstracted from over 12,000 papers with literature coverage through early 2000.

  13. Investigation of sulphide in core drilled boreholes KLX06, KAS03 and KAS09 at Laxemar and Aespoe Chemical-, microbiological- and dissolved gas data from groundwater in four borehole sections

    Energy Technology Data Exchange (ETDEWEB)

    Rosdahl, Anette (Geosigma AB (Sweden)); Pedersen, Karsten; Hallbeck, Lotta (Microbial Analytics Sweden AB (Sweden)); Wallin, Bill (Geokema AB (Sweden))

    2011-01-15

    This report describes a study performed during 2009 which focused on the production of sulphide (microbial sulphate reduction) in deep groundwater that was implemented in the core drilled boreholes KLX06, -475 to 482 meter above sea level, m a s l, KAS03,-97 to 241 and -613 to 984 m a s l, and KAS09, -96 to -125 m a s l, at Laxemar and Aspo. The study aimed to increase knowledge of background groundwater levels of sulphide and its variations in time and space through the analysis of sulphide and parameters related to sulphide production. Sampling of groundwater was conducted in three core drilled boreholes of varying age as time series with continuous pumping and as single samples. The analysis program covered chemical parameters (pH, chloride, sulphate, iron, and organic carbon), dissolved gas composition, stable isotopes in groundwater (delta2H, delta18O, delta34S, delta13C), stable isotopes of gaseous compounds (delta2H, delta13C, delta18O), microbiological parameters (sulphate- and iron reducing bacteria, SRB and IRB), phthalates and low molecular mass organic acids (LMMOA). The sampling in KLX06 was carried out as time series with a 9 week pause in pumping. When the water volume discharged was about 150 times that of the packer-isolated borehole section, sulphides decreased from 7 mg L-1 to 0.05 mg L-1 and the salinity increased from 740 to 1,480 mg L-1. After a 9 weeks pause in pumping, the sulphide concentration and salinity again approached the original values, i.e. 7 mg L-1 of sulphide and 450 mg L-1 of chloride. The SRB and IRB showed high concentrations that were reduced during pumping in the borehole. The water in the standpipe which has a different water composition than the groundwater, also showed similar high concentrations of sulphide and SRB. The standpipe is a plastic pipe in the wider upper part of the borehole; connected with the tube from the packer of the borehole section and used to accommodate a filter and a groundwater pump when collecting

  14. Non-polar lipids characterization of Quinoa (Chenopodium quinoa) seed by comprehensive two-dimensional gas chromatography with flame ionization/mass spectrometry detection and non-aqueous reversed-phase liquid chromatography with atmospheric pressure chemical ionization mass spectrometry detection.

    Science.gov (United States)

    Fanali, Chiara; Beccaria, Marco; Salivo, Simona; Tranchida, Peter; Tripodo, Giusy; Farnetti, Sara; Dugo, Laura; Dugo, Paola; Mondello, Luigi

    2015-07-08

    A chemical characterization of major lipid components, namely, triacylglycerols, fatty acids and the unsaponifiable fraction, in a Quinoa seed lipids sample is reported. To tackle such a task, non-aqueous reversed-phase high-performance liquid chromatography with mass spectrometry detection was employed. The latter was interfaced with atmospheric pressure chemical ionization for the analysis of triacylglycerols. The main triacylglycerols (>10%) were represented by OLP, OOL and OLL (P = palmitoyl, O = oleoyl, L = linoleoyl); the latter was present in the oil sample at the highest percentage (18.1%). Furthermore, fatty acid methyl esters were evaluated by gas chromatography with flame ionization detection. 89% of the total fatty acids was represented by unsaturated fatty acid methyl esters with the greatest percentage represented by linoleic and oleic acids accounting for approximately 48 and 28%, respectively. An extensive characterization of the unsaponifiable fraction of Quinoa seed lipids was performed for the first time, by using comprehensive two-dimensional gas chromatography with dual mass spectrometry/flame ionization detection. Overall, 66 compounds of the unsaponifiable fraction were tentatively identified, many constituents of which (particularly sterols) were confirmed by using gas chromatography with high-resolution time-of-flight mass spectrometry. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Gas hydrates

    Digital Repository Service at National Institute of Oceanography (India)

    Ramprasad, T.

    . faulting and fluid migration, and 4. trapping of free gas beneath a hydrate seal. Experiments are being conducted to assess the impact of gas hydrate on sediment behavior, particularly with respect to slope failure and other potential geohazards....K. Paull, R. Matsumoto, P.J. Wallace, and W.P. Dillon (Eds.), Proceedings ODP, Scientific Results, v. 164 College Station, TX (Ocean Drilling Program), pp. 179-191. Dallimore, S. R., T. Uchida, and T. S. Collett, 1999, Summary, in S. R. Dallimore, T...

  16. Multiscale modeling of gas-fluidized beds

    NARCIS (Netherlands)

    van der Hoef, Martin Anton; van Sint Annaland, M.; Ye, M.; Andrews, A.T.; Sundaresan, S.; Kuipers, J.A.M.

    2006-01-01

    Numerical models of gas-fluidized beds have become an important tool in the design and scale up of gas-solid chemical reactors. However, a single numerical model which includes the solid-solid and solid-fluid interaction in full detail is not feasible for industrial-scale equipment, and for this

  17. Atmospheric gas phase reactions

    Science.gov (United States)

    Platt, Ulrich

    This chapter introduces the underlying physicochemical principles and the relevance of atmospheric gas phase reactions. In particular, reaction orders, the concept of elementary reactions, definition of and factors determining reaction rates (kinetic theory of chemical reactions), and photochemic