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Sample records for hydrocarbon systems kinetics

  1. Chemical Kinetics of Hydrocarbon Ignition in Practical Combustion Systems

    International Nuclear Information System (INIS)

    Westbrook, C.K.

    2000-01-01

    Chemical kinetic factors of hydrocarbon oxidation are examined in a variety of ignition problems. Ignition is related to the presence of a dominant chain branching reaction mechanism that can drive a chemical system to completion in a very short period of time. Ignition in laboratory environments is studied for problems including shock tubes and rapid compression machines. Modeling of the laboratory systems are used to develop kinetic models that can be used to analyze ignition in practical systems. Two major chain branching regimes are identified, one consisting of high temperature ignition with a chain branching reaction mechanism based on the reaction between atomic hydrogen with molecular oxygen, and the second based on an intermediate temperature thermal decomposition of hydrogen peroxide. Kinetic models are then used to describe ignition in practical combustion environments, including detonations and pulse combustors for high temperature ignition, and engine knock and diesel ignition for intermediate temperature ignition. The final example of ignition in a practical environment is homogeneous charge, compression ignition (HCCI) which is shown to be a problem dominated by the kinetics intermediate temperature hydrocarbon ignition. Model results show why high hydrocarbon and CO emissions are inevitable in HCCI combustion. The conclusion of this study is that the kinetics of hydrocarbon ignition are actually quite simple, since only one or two elementary reactions are dominant. However, there are many combustion factors that can influence these two major reactions, and these are the features that vary from one practical system to another

  2. Hydrocarbon fermentation: kinetics of microbial cell growth

    Energy Technology Data Exchange (ETDEWEB)

    Goma, G [Institut National des Sciences Appliquees, Toulouse; Ribot, D

    1978-11-01

    Modeling of microbial growth using nonmiscible substrate is studied when kinetics of substrate dissolution is rate limiting. When the substrate concentration is low, the growth rate is described by an analytical relation that can be identified as a Contois relationship. If the substrate concentration is greater than a critical value S/sub crit/, the potentially useful hydrocarbon S* concentration is described by S* = S/sub crit//(1 + S/sub crit//S). A relationship was found between S/sub crit/ and the biomass concentration X. When X increased, S/sub crit/ decreased. The cell growth rate is related to a relation ..mu.. = ..mu../sub m/(A(X/S/sub crit/)(1 + S/sub crit//S) + 1)/sup -1/. This model describes the evolution of the growth rate when exponential or linear growth occurs, which is related to physico-chemical properties and hydrodynamic fermentation conditions. Experimental data to support the model are presented.

  3. Reduced chemical kinetic mechanisms for hydrocarbon fuels

    International Nuclear Information System (INIS)

    Montgomery, C.J.; Cremer, M.A.; Heap, M.P.; Chen, J-Y.; Westbrook, C.K.; Maurice, L.Q.

    1999-01-01

    Using CARM (Computer Aided Reduction Method), a computer program that automates the mechanism reduction process, a variety of different reduced chemical kinetic mechanisms for ethylene and n-heptane have been generated. The reduced mechanisms have been compared to detailed chemistry calculations in simple homogeneous reactors and experiments. Reduced mechanisms for combustion of ethylene having as few as 10 species were found to give reasonable agreement with detailed chemistry over a range of stoichiometries and showed significant improvement over currently used global mechanisms. The performance of reduced mechanisms derived from a large detailed mechanism for n-heptane was compared to results from a reduced mechanism derived from a smaller semi-empirical mechanism. The semi-empirical mechanism was advantageous as a starting point for reduction for ignition delay, but not for PSR calculations. Reduced mechanisms with as few as 12 species gave excellent results for n-heptane/air PSR calculations but 16-25 or more species are needed to simulate n-heptane ignition delay

  4. Oxidation kinetics of polycyclic aromatic hydrocarbons by permanganate.

    Science.gov (United States)

    Forsey, Steven P; Thomson, Neil R; Barker, James F

    2010-04-01

    The reactivity of permanganate towards polycyclic aromatics hydrocarbons (PAHs) is well known but little kinetic information is available. This study investigated the oxidation kinetics of a selected group of coal tar creosote compounds and alkylbenzenes in water using permanganate, and the correlation between compound reactivity and physical/chemical properties. The oxidation of naphthalene, phenanthrene, chrysene, 1-methylnaphthalene, 2-methylnaphthalene, acenaphthene, fluorene, carbazole isopropylbenzene, ethylbenzene and methylbenzene closely followed pseudo first-order reaction kinetics. The oxidation of pyrene was initially very rapid and did not follow pseudo first-order kinetics at early times. Fluoranthene was only partially oxidized and the oxidation of anthracene was too fast to be captured. Biphenyl, dibenzofuran, benzene and tert-butylbenzene were non-reactive under the study conditions. The oxidation rate was shown to increase with increasing number of polycyclic rings because less energy is required to overcome the aromatic character of a polycyclic ring than is required for benzene. Thus the rate of oxidation increased in the series naphthalenepermanganate. 2010 Elsevier Ltd. All rights reserved.

  5. Oxidation kinetics of polycyclic aromatic hydrocarbons by permanganate

    Energy Technology Data Exchange (ETDEWEB)

    Forsey, S.P.; Thomson, N.R.; Barker, J.F. [University of Waterloo, Waterloo, ON (Canada). Dept. of Civil & Environmental Engineering

    2010-04-15

    The reactivity of permanganate towards polycyclic aromatics hydrocarbons (PAHs) is well known but little kinetic information is available. This study investigated the oxidation kinetics of a selected group of coal tar creosote compounds and alkylbenzenes in water using permanganate, and the correlation between compound reactivity and physical/chemical properties. The oxidation of naphthalene, phenanthrene, chrysene, 1-methylnaphthalene, 2-methylnaphthalene, acenaphthene, fluorene, carbazole isopropylbenzene, ethylbenzene and methylbenzene closely followed pseudo first-order reaction kinetics. The oxidation of pyrene was initially very rapid and did not follow pseudo first-order kinetics at early times. Fluoranthene was only partially oxidized and the oxidation of anthracene was too fast to be captured. Biphenyl, dibenzofuran, benzene and tert-butylbenzene were non-reactive under the study conditions. The oxidation rate was shown to increase with increasing number of polycyclic rings because less energy is required to overcome the aromatic character of a polycyclic ring than is required for benzene. Thus the rate of oxidation increased in the series naphthalene < phenanthrene < pyrene. The rate of side chain reactivity is controlled by the C-H bond strength. For the alkyl substituted benzenes an excellent correlation was observed between the reaction rate coefficients and bond dissociation energies, but for the substituted PAHs the relationship was poor. A trend was found between the reaction rate coefficients and the calculated heats of complexation indicating that significant ring oxidation occurred in addition to side chain oxidation. Clar's aromatic sextet theory was used to predict the relative stability of arenes towards ring oxidation by permanganate.

  6. Fundamental and semi-global kinetic mechanisms for hydrocarbon combustion. Final report, March 1977-October 1980

    Energy Technology Data Exchange (ETDEWEB)

    Dryer, F L; Glassman, I; Brezinsky, K

    1981-03-01

    Over the past three and one half years, substantial research efforts of the Princeton Fuels Research Group have been directed towards the development of simplified mechanisms which would accurately describe the oxidation of hydrocarbons fuels. The objectives of this combustion research included the study of semi-empirical modeling (that is an overall description) of the chemical kinetic mechanisms of simple hydrocarbon fuels. Such fuels include the alkanes: ethane, propane, butane, hexane and octane as well as the critically important alkenes: ethene, propene and butene. As an extension to this work, the study of the detailed radical species characteristics of combustion systems was initiated as another major aspect of the program, with emphasis on the role of the OH and HO/sub 2/ radicals. Finally, the studies of important alternative fuel problems linked the program to longer range approaches to the energy supply question. Studies of alternative fuels composed the major elements of this area of the program. The efforts on methanol research were completed, and while the aromatics aspects of the DOE work have been a direct extension of efforts supported by the Air Force Office of Scientific Research, they represented a significant part of the overall research effort. The emphasis in the proposed program is to provide further fundamental understanding of the oxidation of hydrocarbon fuels which will be useful in guiding engineering approaches. Although the scope of program ranges from the fundamentals of chemical kinetics to that of alternative fuel combustion, the objective in mind is to provide insight and guidance to the understanding of practical combustion environments. The key to our approach has been our understanding of the fundamental combustion chemistry and its relation to the important practical combustion problems which exist in implementing energy efficient, alternate fuels technologies.

  7. Kinetic mechanism of plasma-assisted ignition of hydrocarbons

    International Nuclear Information System (INIS)

    Kosarev, I N; Aleksandrov, N L; Kindysheva, S V; Starikovskaia, S M; Starikovskii, A Yu

    2008-01-01

    Ignition of hydrocarbon-containing gaseous mixtures has been studied experimentally and numerically under the action of a high-voltage nanosecond discharge at elevated temperatures. Ignition delay times were measured behind a reflected shock wave in stoichiometric C n H 2n+2 : O 2 mixtures (10%) diluted with Ar (90%) for n = 1-5. It was shown that the application of the gas discharge leads to more than an order of magnitude decrease in ignition delay time for all hydrocarbons under consideration. The measured values of ignition delay time agree well with the results of a numerical simulation of the ignition based on the calculation of atom and radical production during the discharge and in its afterglow. The analysis of simulation results showed that a non-equilibrium plasma favours the ignition mainly due to O atoms produced in the active phase of the discharge. (fast track communication)

  8. Wireless sensing on surface hydrocarbon production systems

    International Nuclear Information System (INIS)

    Kane, D; McStay, D; Mulholland, J; Costello, L

    2009-01-01

    The use of wireless sensor networks for monitoring and optimising the performance of surface hydrocarbon production systems is reported. Wireless sensor networks are shown to be able to produce comprehensively instrumented XTs and other equipment that generate the data required by Intelligent Oilfield systems. The information produced by such systems information can be used for real-time operational control, production optimization and troubleshooting.

  9. Kinetics of Chlorinated Hydrocarbon Degradation by Methylosinus trichosporium OB3b and Toxicity of Trichloroethylene

    NARCIS (Netherlands)

    Oldenhuis, Roelof; Oedzes, Johannes Y.; Waarde, Jacob J. van der; Janssen, Dick B.

    The kinetics of the degradation of trichloroethylene (TCE) and seven other chlorinated aliphatic hydrocarbons by Methylosinus trichosporium OB3b were studied. All experiments were performed with cells grown under copper stress and thus expressing soluble methane monooxygenase. Compounds that were

  10. New Insight into the Kinetics of Deep Liquid Hydrocarbon Cracking and Its Significance

    Directory of Open Access Journals (Sweden)

    Wenzhi Zhao

    2017-01-01

    Full Text Available The deep marine natural gas accumulations in China are mainly derived from the cracking of liquid hydrocarbons with different occurrence states. Besides accumulated oil in reservoir, the dispersed liquid hydrocarbon in and outside source also is important source for cracking gas generation or relayed gas generation in deep formations. In this study, nonisothermal gold tube pyrolysis and numerical calculations as well as geochemical analysis were conducted to ascertain the expulsion efficiency of source rocks and the kinetics for oil cracking. By determination of light liquid hydrocarbons and numerical calculations, it is concluded that the residual bitumen or hydrocarbons within source rocks can occupy about 50 wt.% of total oil generated at oil generation peak. This implies that considerable amounts of natural gas can be derived from residual hydrocarbon cracking and contribute significantly to the accumulation of shale gas. Based on pyrolysis experiments and kinetic calculations, we established a model for the cracking of oil and its different components. In addition, a quantitative gas generation model was also established to address the contribution of the cracking of residual oil and expulsed oil for natural gas accumulations in deep formations. These models may provide us with guidance for gas resource evaluation and future gas exploration in deep formations.

  11. Analysis of dechlorination kinetics of chlorinated aliphatic hydrocarbons by Fe(II) in cement slurries

    Energy Technology Data Exchange (ETDEWEB)

    Jung, Bahngmi [Department of Earth and Environmental Sciences, Wright State University, Dayton, OH 45435-0001 (United States)], E-mail: jung.bahngmi@gmail.com; Batchelor, Bill [Department of Civil Engineering, Texas A and M University, College Station, TX 77843-3136 (United States)

    2008-03-21

    Degradative solidification/stabilization with ferrous iron (DS/S-Fe(II)) has been found to be effective in degrading a number of chlorinated aliphatic hydrocarbons including 1,1,1-trichloroethane (1,1,1-TCA), 1,1,2,2-tetrachloroethane (1,1,2,2-TeCA), tetrachloroethylene (PCE), trichloroethylene (TCE), 1,1-dichloroethylene (1,1-DCE), vinyl chloride (VC), carbon tetrachloride (CT) and chloroform (CF). Previous studies have characterized degradation kinetics in DS/S-Fe(II) systems as affected by Fe(II) dose, pH and initial target organic concentration. The goal of this study is to investigate the importance of various chemical properties on degradation kinetics of DS/S-Fe(II). This was accomplished by first measuring rate constants for degradation of 1,1,1-TCA, 1,1,2,2-TeCA and 1,2-dichloroethane (1,2-DCA) in individual batch experiments. Rate constants developed in these experiments and those obtained from the literature were related to thermodynamic parameters including one-electron reduction potential, two-electron reduction potential, bond dissociation energy and lowest unoccupied molecular orbital energies. Degradation kinetics by Fe(II) in cement slurries were generally represented by a pseudo-first-order rate law. The results showed that the rate constants for chlorinated methanes (e.g. CT, CF) and chlorinated ethanes (e.g. 1,1,1-TCA) were higher than those for chlorinated ethylenes (e.g. PCE, TCE, 1,1-DCE and VC) under similar experimental conditions. The log of the pseudo-first-order rate constant (k) was found to correlate better with lowest unoccupied molecular orbital energies (E{sub LUMO}) (R{sup 2} = 0.874) than with other thermodynamic parameter descriptors.

  12. The kinetics of reductive dehalogenation of a set of halogenated aliphatic hydrocarbons in anaerobic sediment slurries.

    Science.gov (United States)

    Peijnenburg, W; Eriksson, L; de Groot, A; Sjöström, M; Verboom, H

    1998-01-01

    Disappearance rate constants are reported for the reductive transformation of 17 halogenated aliphatic hydrocarbons in anaerobic sediment-water samples. Statistical experimental design in combination with multivariate chemical characterization of their chemical properties was used to select the compounds. Degradation followed pseudo first-order kinetics through at least two half-lives for 15 of the 17 compounds. Of all the compounds investigated, 1,2,3-trichloropropane and dichloromethane were unique in that they were dehalogenated according to zero-order kinetics. Reductive dehalogenation was the sole transformation reaction taking place.

  13. Improved predictive model for n-decane kinetics across species, as a component of hydrocarbon mixtures.

    Science.gov (United States)

    Merrill, E A; Gearhart, J M; Sterner, T R; Robinson, P J

    2008-07-01

    n-Decane is considered a major component of various fuels and industrial solvents. These hydrocarbon products are complex mixtures of hundreds of components, including straight-chain alkanes, branched chain alkanes, cycloalkanes, diaromatics, and naphthalenes. Human exposures to the jet fuel, JP-8, or to industrial solvents in vapor, aerosol, and liquid forms all have the potential to produce health effects, including immune suppression and/or neurological deficits. A physiologically based pharmacokinetic (PBPK) model has previously been developed for n-decane, in which partition coefficients (PC), fitted to 4-h exposure kinetic data, were used in preference to measured values. The greatest discrepancy between fitted and measured values was for fat, where PC values were changed from 250-328 (measured) to 25 (fitted). Such a large change in a critical parameter, without any physiological basis, greatly impedes the model's extrapolative abilities, as well as its applicability for assessing the interactions of n-decane or similar alkanes with other compounds in a mixture model. Due to these limitations, the model was revised. Our approach emphasized the use of experimentally determined PCs because many tissues had not approached steady-state concentrations by the end of the 4-h exposures. Diffusion limitation was used to describe n-decane kinetics for the brain, perirenal fat, skin, and liver. Flow limitation was used to describe the remaining rapidly and slowly perfused tissues. As expected from the high lipophilicity of this semivolatile compound (log K(ow) = 5.25), sensitivity analyses showed that parameters describing fat uptake were next to blood:air partitioning and pulmonary ventilation as critical in determining overall systemic circulation and uptake in other tissues. In our revised model, partitioning into fat took multiple days to reach steady state, which differed considerably from the previous model that assumed steady-state conditions in fat at 4 h post

  14. Biodegradation of hydrocarbon mixtures in surface waters at environmentally relevant levels - Effect of inoculum origin on kinetics and sequence of degradation

    DEFF Research Database (Denmark)

    Birch, Heidi; Hammershøj, Rikke Høst; Comber, Mike

    2017-01-01

    Biodegradation is a dominant removal process for many organic pollutants, and biodegradation tests serve as tools for assessing their environmental fate within regulatory risk assessment. In simulation tests, the inoculum is not standardized, varying in microbial quantity and quality, thereby...... potentially impacting the observed biodegradation kinetics. In this study we investigated the effect of inoculum origin on the biodegradation kinetics of hydrocarbons for five inocula from surface waters varying in urbanization and thus expected pre-exposure to petroleum hydrocarbons. A new biodegradation...... method for testing mixtures of hydrophobic chemicals at trace concentrations was demonstrated: Aqueous solutions containing 9 hydrocarbons were generated by passive dosing and diluted with surface water resulting in test systems containing native microorganisms exposed to test substances at ng...

  15. Biodegradation of hydrocarbon mixtures in surface waters at environmentally relevant levels - Effect of inoculum origin on kinetics and sequence of degradation.

    Science.gov (United States)

    Birch, Heidi; Hammershøj, Rikke; Comber, Mike; Mayer, Philipp

    2017-10-01

    Biodegradation is a dominant removal process for many organic pollutants, and biodegradation tests serve as tools for assessing their environmental fate within regulatory risk assessment. In simulation tests, the inoculum is not standardized, varying in microbial quantity and quality, thereby potentially impacting the observed biodegradation kinetics. In this study we investigated the effect of inoculum origin on the biodegradation kinetics of hydrocarbons for five inocula from surface waters varying in urbanization and thus expected pre-exposure to petroleum hydrocarbons. A new biodegradation method for testing mixtures of hydrophobic chemicals at trace concentrations was demonstrated: Aqueous solutions containing 9 hydrocarbons were generated by passive dosing and diluted with surface water resulting in test systems containing native microorganisms exposed to test substances at ng-μg/L levels. Automated Headspace Solid Phase Microextraction coupled to GC-MS was applied directly to these test systems to determine substrate depletion relative to abiotic controls. Lag phases were generally less than 8 days. First order rate constants were within one order of magnitude for each hydrocarbon in four of the five waters but lower in water from a rural lake. The sequence of degradation between the 9 hydrocarbons showed similar patterns in the five waters indicating the potential for using selected hydrocarbons for benchmarking between biodegradation tests. Degradation half-times were shorter than or within one order of magnitude of BioHCwin predictions for 8 of 9 hydrocarbons. These results showed that location choice is important for biodegradation kinetics and can provide a relevant input to aquatic exposure and fate models. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. Canadian hydrocarbon transportation system : transportation assessment

    International Nuclear Information System (INIS)

    2006-06-01

    This document provided an assessment of the Canadian hydrocarbon transportation system. In addition to regulating the construction and operation of Canada's 45,000 km of pipeline that cross international and provincial borders, Canada's National Energy Board (NEB) regulates the trade of natural gas, oil and natural gas liquids. The ability of pipelines to delivery this energy is critical to the country's economic prosperity. The pipeline system includes large-diameter, cross-country, high-pressure natural gas pipelines, low-pressure crude oil and oil products pipelines and small-diameter pipelines. In order to assess the hydrocarbon transportation system, staff at the NEB collected data from pipeline companies and a range of publicly available sources. The Board also held discussions with members of the investment community regarding capital markets and emerging issues. The assessment focused largely on evaluating whether Canadians benefit from an efficient energy infrastructure and markets. The safety and environmental integrity of the pipeline system was also evaluated. The current adequacy of pipeline capacity was assessed based on price differentials compared with firm service tolls for major transportation paths; capacity utilization on pipelines; and, the degree of apportionment on major oil pipelines. The NEB concluded that the Canadian hydrocarbon transportation system is working effectively, with an adequate capacity in place on existing natural gas pipelines, but with a tight capacity on oil pipelines. It was noted that shippers continue to indicate that they are reasonably satisfied with the services provided by pipeline companies and that the NEB-regulated pipeline companies are financially stable. 14 refs, 11 tabs., 28 figs., 4 appendices

  17. Kinetics of aerobic cometabolic biodegradation of chlorinated and brominated aliphatic hydrocarbons: A review.

    Science.gov (United States)

    Jesus, João; Frascari, Dario; Pozdniakova, Tatiana; Danko, Anthony S

    2016-05-15

    This review analyses kinetic studies of aerobic cometabolism (AC) of halogenated aliphatic hydrocarbons (HAHs) from 2001-2015 in order to (i) compare the different kinetic models proposed, (ii) analyse the estimated model parameters with a focus on novel HAHs and the identification of general trends, and (iii) identify further research needs. The results of this analysis show that aerobic cometabolism can degrade a wide range of HAHs, including HAHs that were not previously tested such as chlorinated propanes, highly chlorinated ethanes and brominated methanes and ethanes. The degree of chlorine mineralization was very high for the chlorinated HAHs. Bromine mineralization was not determined for studies with brominated aliphatics. The examined research period led to the identification of novel growth substrates of potentially high interest. Decreasing performance of aerobic cometabolism were found with increasing chlorination, indicating the high potential of aerobic cometabolism in the presence of medium- and low-halogenated HAHs. Further research is needed for the AC of brominated aliphatic hydrocarbons, the potential for biofilm aerobic cometabolism processes, HAH-HAH mutual inhibition and the identification of the enzymes responsible for each aerobic cometabolism process. Lastly, some indications for a possible standardization of future kinetic studies of HAH aerobic cometabolism are provided. Copyright © 2016 Elsevier B.V. All rights reserved.

  18. Kinetic energy storage system

    Energy Technology Data Exchange (ETDEWEB)

    Jaeggi, M.; Folini, P.

    1983-09-03

    A flywheel system for the purpose of energy storage in decentral solar- or wind energy plants is introduced. The system comprises a rotor made out of plastic fibre, a motor/generator serving as electro-mechanical energy converter and a frequency-voltage transformer serving as electric adapter. The storable energy quantity amounts to several kWh.

  19. Degradation kinetics of chlorinated aliphatic hydrocarbons by methane oxidizers naturally-associated with wetland plant roots

    Science.gov (United States)

    Powell, C. L.; Goltz, M. N.; Agrawal, A.

    2014-12-01

    Chlorinated aliphatic hydrocarbons (CAHs) are common groundwater contaminants that can be removed from the environment by natural attenuation processes. CAH biodegradation can occur in wetland environments by reductive dechlorination as well as oxidation pathways. In particular, CAH oxidation may occur in vegetated wetlands, by microorganisms that are naturally associated with the roots of wetland plants. The main objective of this study was to evaluate the cometabolic degradation kinetics of the CAHs, cis-1,2-dichloroethene (cisDCE), trichloroethene (TCE), and 1,1,1-trichloroethane (1,1,1TCA), by methane-oxidizing bacteria associated with the roots of a typical wetland plant in soil-free system. Laboratory microcosms with washed live roots investigated aerobic, cometabolic degradation of CAHs by the root-associated methane-oxidizing bacteria at initial aqueous [CH4] ~ 1.9 mg L- 1, and initial aqueous [CAH] ~ 150 μg L- 1; cisDCE and TCE (in the presence of 1,1,1TCA) degraded significantly, with a removal efficiency of approximately 90% and 46%, respectively. 1,1,1TCA degradation was not observed in the presence of active methane oxidizers. The pseudo first-order degradation rate-constants of TCE and cisDCE were 0.12 ± 0.01 and 0.59 ± 0.07 d- 1, respectively, which are comparable to published values. However, their biomass-normalized degradation rate constants obtained in this study were significantly smaller than pure-culture studies, yet they were comparable to values reported for biofilm systems. The study suggests that CAH removal in wetland plant roots may be comparable to processes within biofilms. This has led us to speculate that the active biomass may be on the root surface as a biofilm. The cisDCE and TCE mass losses due to methane oxidizers in this study offer insight into the role of shallow, vegetated wetlands as an environmental sink for such xenobiotic compounds.

  20. System and process for upgrading hydrocarbons

    Science.gov (United States)

    Bingham, Dennis N.; Klingler, Kerry M.; Smith, Joseph D.; Turner, Terry D.; Wilding, Bruce M.

    2015-08-25

    In one embodiment, a system for upgrading a hydrocarbon material may include a black wax upgrade subsystem and a molten salt gasification (MSG) subsystem. The black wax upgrade subsystem and the MSG subsystem may be located within a common pressure boundary, such as within a pressure vessel. Gaseous materials produced by the MSG subsystem may be used in the process carried out within the black wax upgrade subsystem. For example, hydrogen may pass through a gaseous transfer interface to interact with black wax feed material to hydrogenate such material during a cracking process. In one embodiment, the gaseous transfer interface may include one or more openings in a tube or conduit which is carrying the black wax material. A pressure differential may control the flow of hydrogen within the tube or conduit. Related methods are also disclosed.

  1. Sorption kinetics of polycyclic aromatic hydrocarbons removal using granular activated carbon: Intraparticle diffusion coefficients

    International Nuclear Information System (INIS)

    Valderrama, C.; Gamisans, X.; Heras, X. de las; Farran, A.; Cortina, J.L.

    2008-01-01

    Granular activated carbon (GAC) was evaluated as a suitable sorbent for polycyclic aromatic hydrocarbons (PAHs) removal from aqueous solutions. For this purpose, kinetic measurements on the extraction of a family of six PAHs were taken. A morphology study was performed by means of a scanning electron microscopy (SEM) analysis of GAC samples. Analyses of the batch rate data for each PAH were carried out using two kinetic models: the homogenous particle diffusion model (HPDM) and the shell progressive model (SPM). The process was controlled by diffusion rate the solutes (PAHs) that penetrated the reacted layer at PAH concentrations in the range of 0.2-10 mg L -1 . The effective particle diffusion coefficients (D eff ) derived from the two models were determined from the batch rate data. The Weber and Morris intraparticle diffusion model made a double contribution to the surface and pore diffusivities in the sorption process. The D eff values derived from both the HPMD and SPM equations varied from 1.1 x 10 -13 to 6.0 x 10 -14 m 2 s -1 . The simplest model, the pore diffusion model, was applied first for data analysis. The model of the next level of complexity, the surface diffusion model, was applied in order to gain a deeper understanding of the diffusion process. This model is able to explain the data, and the apparent surface diffusivities are in the same order of magnitude as the values for the sorption of functionalized aromatic hydrocarbons (phenols and sulphonates) that are described in the literature

  2. Steam cracking of hydrocarbons 6. Effect of dibenzyl sulfide and dibenzyl disulfide on reaction kinetics and coking

    NARCIS (Netherlands)

    Bajus, M.; Baxa, J.; Leclercq, P.A.; Rijks, J.A.

    1983-01-01

    The influence of aromatic sulfides on the kinetics and selectivity of hydrocarbon conversion by steam cracking and on pyrolytic coke formation was investigated in stainless steel tubular reactors with relatively large inner surface.The rate of decomposition of heptane (at 700 ‘C, 100 kPa, and a mass

  3. Thermodynamic and kinetic characterization of polycyclic aromatic hydrocarbons in reversed-phase liquid chromatography.

    Science.gov (United States)

    Howerton, Samuel B; McGuffin, Victoria L

    2003-07-15

    The retention of six polycyclic aromatic hydrocarbons (PAHs) was characterized by reversed-phase liquid chromatography. The PAHs were detected by laser-induced fluorescence at four points along an optically transparent capillary column. The profiles were characterized in space and time using an exponentially modified Gaussian equation. The resulting parameters were used to calculate the retention factors, as well as the concomitant changes in molar enthalpy and molar volume, for each PAH on monomeric (2.7 micromol/m2) and polymeric (5.4 micromol/m2) octadecylsilica. The changes in molar enthalpy become more exothermic as ring number increases and as annelation structure becomes less condensed. The changes in molar volume become more negative as ring number increases for the planar PAHs, but are positive for the nonplanar solutes. In addition, the rate constants, as well as the concomitant activation enthalpy and activation volume, are calculated for the first time. The kinetic data demonstrate that many of the PAHs exhibit very fast transitions between the mobile and stationary phases. The transition state is very high in energy, and the activation enthalpies and volumes become greater as ring number increases and as annelation structure becomes less condensed. The changes in thermodynamic and kinetic behavior are much more pronounced for the polymeric phase than for the monomeric phase.

  4. Removing polycyclic aromatic hydrocarbons from water using granular activated carbon: kinetic and equilibrium adsorption studies.

    Science.gov (United States)

    Eeshwarasinghe, Dinushika; Loganathan, Paripurnanda; Kalaruban, Mahatheva; Sounthararajah, Danious Pratheep; Kandasamy, Jaya; Vigneswaran, Saravanamuthu

    2018-05-01

    Polycyclic aromatic hydrocarbons (PAHs) constitute a group of highly persistent, toxic and widespread environmental micropollutants that are increasingly found in water. A study was conducted in removing five PAHs, specifically naphthalene, acenaphthylene, acenaphthene, fluorene and phenanthrene, from water by adsorption onto granular activated carbon (GAC). The pseudo-first-order (PFO) model satisfactorily described the kinetics of adsorption of the PAHs. The Weber and Morris diffusion model's fit to the data showed that there were faster and slower rates of intra-particle diffusion probably into the mesopores and micropores of the GAC, respectively. These rates were negatively related to the molar volumes of the PAHs. Batch equilibrium adsorption data fitted well to the Langmuir, Freundlich and Dubinin-Radushkevich models, of which the Freundlich model exhibited the best fit. The adsorption affinities were related to the hydrophobicity of the PAHs as determined by the log K ow values. Free energies of adsorption calculated from the Dubinin-Radushkevich model and the satisfactory kinetic data fitting to the PFO model suggested physical adsorption of the PAHs. Adsorption of naphthalene, acenaphthylene and acenaphthene in fixed-bed columns containing a mixture of GAC (0.5 g) + sand (24.5 g) was satisfactorily simulated by the Thomas model.

  5. Hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    1927-02-22

    Coal tar, mineral oils, bitumens, coal extraction products, hydrogenation products of coal, oil schists can be atomized and heated with steam to decompose pyrogenetically and form gases rich in olefins which may be heated with or without pressure and with or without catalysts to produce liquid hydrocarbons of low boiling point, some of which may be aromatic. The apparatus should be lined with copper, silica, or ferrosilicon to prevent contact of the bases with iron which causes deposition of soot. Catalysts used may be metal oxides, silica, graphite, active charcoal, mica, pumice, porcelain, barium carbonate, copper, silver, gold, chromium, boron, or their compounds. At temperatures from 300 to 400/sup 0/C, olefins are produced. At higher temperatures, naphthenes and benzene hydrocarbons are produced.

  6. Effects of soil water saturation on sampling equilibrium and kinetics of selected polycyclic aromatic hydrocarbons.

    Science.gov (United States)

    Kim, Pil-Gon; Roh, Ji-Yeon; Hong, Yongseok; Kwon, Jung-Hwan

    2017-10-01

    Passive sampling can be applied for measuring the freely dissolved concentration of hydrophobic organic chemicals (HOCs) in soil pore water. When using passive samplers under field conditions, however, there are factors that might affect passive sampling equilibrium and kinetics, such as soil water saturation. To determine the effects of soil water saturation on passive sampling, the equilibrium and kinetics of passive sampling were evaluated by observing changes in the distribution coefficient between sampler and soil (K sampler/soil ) and the uptake rate constant (k u ) at various soil water saturations. Polydimethylsiloxane (PDMS) passive samplers were deployed into artificial soils spiked with seven selected polycyclic aromatic hydrocarbons (PAHs). In dry soil (0% water saturation), both K sampler/soil and k u values were much lower than those in wet soils likely due to the contribution of adsorption of PAHs onto soil mineral surfaces and the conformational changes in soil organic matter. For high molecular weight PAHs (chrysene, benzo[a]pyrene, and dibenzo[a,h]anthracene), both K sampler/soil and k u values increased with increasing soil water saturation, whereas they decreased with increasing soil water saturation for low molecular weight PAHs (phenanthrene, anthracene, fluoranthene, and pyrene). Changes in the sorption capacity of soil organic matter with soil water content would be the main cause of the changes in passive sampling equilibrium. Henry's law constant could explain the different behaviors in uptake kinetics of the selected PAHs. The results of this study would be helpful when passive samplers are deployed under various soil water saturations. Copyright © 2017 Elsevier Ltd. All rights reserved.

  7. Kinetic particularities of strained alicyclic compounds formation in catalytic methanol to hydrocarbon transformation process

    OpenAIRE

    Doluda V.; Brovko R.; Giniatullina N.; Sulman M.

    2017-01-01

    The catalytic transformation of methanol into hydrocarbons is a complex chemical process, accompanied by chain parallel chemical transformation reactions. The most valuable products of the methanol to hydrocarbons catalytic transformation reaction are the strained hydrocarbons — cyclopropane derivatives. These compounds can be used as a high-energy fuel, and also as a valuable chemical raw material. However, the yield of strained compounds in methanol to hydrocarbons catalytic transformation ...

  8. Investigation of the combustion kinetics and polycyclic aromatic hydrocarbon emissions from polycaprolactone combustion.

    Science.gov (United States)

    Chien, Y C; Yang, S H

    2013-01-01

    Polycaprolactone (PCL) is one of the most attractive biodegradable plastics that has been widely used in medicine and agriculture fields. Because of the large increase in biodegradable plastics usage, the production of waste biodegradable plastics will be increasing dramatically, producing a growing environmental problem. Generally, waste PCL is collected along with municipal solid wastes and then incinerated. This study investigates the combustion kinetics and emission factors of 16 US Environmental Protection Agency (EPA) priority polycyclic aromatic hydrocarbons (PAHs) in the PCL combustion. Experimentally, two reactions are involved in the PCL combustion process, possibly resulting in the emission of carbon dioxide, propanal, protonated caprolactone and very small amounts of PAH produced by incomplete combustion. The intermediate products may continuously be oxidized to form CO2. The emission factors for 16 US EPA priority PAHs are n.d. -2.95 microg/g, which are much lower than those of poly lactic acid and other plastics combustion. The conversion of PCL is 100%. Results from this work suggest that combustion is a good choice for the waste PCL disposal.

  9. The influence of shale depositional fabric on the kinetics of hydrocarbon generation through control of mineral surface contact area on clay catalysis

    Science.gov (United States)

    Rahman, Habibur M.; Kennedy, Martin; Löhr, Stefan; Dewhurst, David N.; Sherwood, Neil; Yang, Shengyu; Horsfield, Brian

    2018-01-01

    Accurately assessing the temperature and hence the depth and timing of hydrocarbon generation is a critical step in the characterization of a petroleum system. Clay catalysis is a potentially significant modifier of hydrocarbon generation temperature, but experimental studies of clay catalysis show inconsistent or contradictory results. This study tests the hypothesis that source rock fabric itself is an influence on clay mineral catalysis as it controls the extent to which organic matter and clay minerals are physically associated. Two endmember clay-organic fabrics distinguish the source rocks studied: (1) a particulate fabric where organic matter is present as discrete, >5 μm particles and (2) a nanocomposite fabric in which amorphous organic matter is associated with clay mineral surfaces at sub-micron scale. High-resolution electron imaging and bulk geochemical characterisation confirm that samples of the Miocene Monterey Formation (California) are representative of the nanocomposite source rock endmember, whereas samples from the Permian Stuart Range Formation (South Australia) represent the particulate source rock endmember. Kinetic experiments are performed on paired whole rock and kerogen isolate samples from these two formations using open system, non-isothermal pyrolysis at three different heating rates (0.7, 2 and 5 K/min) to determine the effects of the different shale fabrics on hydrocarbon generation kinetics. Extrapolation to a modelled geological heating rate shows a 20 °C reduction in the onset temperature of hydrocarbon generation in Monterey Formation whole rock samples relative to paired kerogen isolates. This result is consistent with the Monterey Formations's nanocomposite fabric where clay catalysis can proceed because reactive clay minerals are intimately associated with organic matter. By contrast, there is no significant difference in the modelled hydrocarbon generation temperature of paired whole rock and kerogen isolates from the

  10. The kinetic theory of open systems

    International Nuclear Information System (INIS)

    Klimontovich, Yu.L.

    2001-01-01

    This paper begins with a survey of recently obtained results in the statistical theory of open systems, including quantum open systems. Then the definition of the thermal flux in the kinetic theory is considered, further the collision nature of the Landau damping. Finally the Lamb shift and Bethe's formula are analyzed. (orig.)

  11. Dual kinetic curves in reversible electrochemical systems.

    Directory of Open Access Journals (Sweden)

    Michael J Hankins

    Full Text Available We introduce dual kinetic chronoamperometry, in which reciprocal relations are established between the kinetic curves of electrochemical reactions that start from symmetrical initial conditions. We have performed numerical and experimental studies in which the kinetic curves of the electron-transfer processes are analyzed for a reversible first order reaction. Experimental tests were done with the ferrocyanide/ferricyanide system in which the concentrations of each component could be measured separately using the platinum disk/gold ring electrode. It is shown that the proper ratio of the transient kinetic curves obtained from cathodic and anodic mass transfer limited regions give thermodynamic time invariances related to the reaction quotient of the bulk concentrations. Therefore, thermodynamic time invariances can be observed at any time using the dual kinetic curves for reversible reactions. The technique provides a unique possibility to extract the non-steady state trajectory starting from one initial condition based only on the equilibrium constant and the trajectory which starts from the symmetrical initial condition. The results could impact battery technology by predicting the concentrations and currents of the underlying non-steady state processes in a wide domain from thermodynamic principles and limited kinetic information.

  12. Interactive physically-based structural modeling of hydrocarbon systems

    International Nuclear Information System (INIS)

    Bosson, Mael; Grudinin, Sergei; Bouju, Xavier; Redon, Stephane

    2012-01-01

    Hydrocarbon systems have been intensively studied via numerical methods, including electronic structure computations, molecular dynamics and Monte Carlo simulations. Typically, these methods require an initial structural model (atomic positions and types, topology, etc.) that may be produced using scripts and/or modeling tools. For many systems, however, these building methods may be ineffective, as the user may have to specify the positions of numerous atoms while maintaining structural plausibility. In this paper, we present an interactive physically-based modeling tool to construct structural models of hydrocarbon systems. As the user edits the geometry of the system, atomic positions are also influenced by the Brenner potential, a well-known bond-order reactive potential. In order to be able to interactively edit systems containing numerous atoms, we introduce a new adaptive simulation algorithm, as well as a novel algorithm to incrementally update the forces and the total potential energy based on the list of updated relative atomic positions. The computational cost of the adaptive simulation algorithm depends on user-defined error thresholds, and our potential update algorithm depends linearly with the number of updated bonds. This allows us to enable efficient physically-based editing, since the computational cost is decoupled from the number of atoms in the system. We show that our approach may be used to effectively build realistic models of hydrocarbon structures that would be difficult or impossible to produce using other tools.

  13. Kinetic parameters for source driven systems

    International Nuclear Information System (INIS)

    Dulla, S.; Ravetto, P.; Carta, M.; D'Angelo, A.

    2006-01-01

    The definition of the characteristic kinetic parameters of a subcritical source-driven system constitutes an interesting problem in reactor physics with important consequences for practical applications. Consistent and physically meaningful values of the parameters allow to obtain accurate results from kinetic simulation tools and to correctly interpret kinetic experiments. For subcritical systems a preliminary problem arises for the adoption of a suitable weighting function to be used in the projection procedure to derive a point model. The present work illustrates a consistent factorization-projection procedure which leads to the definition of the kinetic parameters in a straightforward manner. The reactivity term is introduced coherently with the generalized perturbation theory applied to the source multiplication factor ks, which is thus given a physical role in the kinetic model. The effective prompt lifetime is introduced on the assumption that a neutron generation can be initiated by both the fission process and the source emission. Results are presented for simplified configurations to fully comprehend the physical features and for a more complicated highly decoupled system treated in transport theory. (authors)

  14. Unified kinetic theory in toroidal systems

    International Nuclear Information System (INIS)

    Hitchcock, D.A.; Hazeltine, R.D.

    1980-12-01

    The kinetic theory of toroidal systems has been characterized by two approaches: neoclassical theory which ignores instabilities and quasilinear theory which ignores collisions. In this paper we construct a kinetic theory for toroidal systems which includes both effects. This yields a pair of evolution equations; one for the spectrum and one for the distribution function. In addition, this theory yields a toroidal generalization of the usual collision operator which is shown to have many similar properties - conservation laws, H theorem - to the usual collision operator

  15. Subcontinuum mass transport of hydrocarbons in nanoporous media and long-time kinetics of recovery from unconventional reservoirs

    Science.gov (United States)

    Bocquet, Lyderic

    2015-11-01

    In this talk I will discuss the transport of hydrocarbons across nanoporous media and analyze how this transport impacts at larger scales the long-time kinetics of hydrocarbon recovery from unconventional reservoirs (the so-called shale gas). First I will establish, using molecular simulation and statistical mechanics, that the continuum description - the so-called Darcy law - fails to predict transport within a nanoscale organic matrix. The non-Darcy behavior arises from the strong adsorption of the alkanes in the nanoporous material and the breakdown of hydrodynamics at the nanoscale, which contradicts the assumption of viscous flow. Despite this complexity, all permeances collapse on a master curve with an unexpected dependence on alkane length, which can be described theoretically by a scaling law for the permeance. Then I will show that alkane recovery from such nanoporous reservoirs is dynamically retarded due to interfacial effects occuring at the material's interface. This occurs especially in the hydraulic fracking situation in which water is used to open fractures to reach the hydrocarbon reservoirs. Despite the pressure gradient used to trigger desorption, the alkanes remain trapped for long times until water desorbs from the external surface. The free energy barrier can be predicted in terms of an effective contact angle on the composite nanoporous surface. Using a statistical description of the alkane recovery, I will then demonstrate that this retarded dynamics leads to an overall slow - algebraic - decay of the hydrocarbon flux. Such a behavior is consistent with algebraic decays of shale gas flux from various wells reported in the literature. This work was performed in collaboration with B. Coasne, K. Falk, T. Lee, R. Pellenq and F. Ulm, at the UMI CNRS-MIT, Massachusetts Institute of Technology, Cambridge, USA.

  16. Generalised Multiplicative Indices of Polycyclic Aromatic Hydrocarbons and Benzenoid Systems

    Science.gov (United States)

    Kulli, V. R.; Stone, Branden; Wang, Shaohui; Wei, Bing

    2017-05-01

    Many types of topological indices such as degree-based topological indices, distance-based topological indices, and counting-related topological indices are explored during past recent years. Among degree-based topological indices, Zagreb indices are the oldest one and studied well. In the paper, we define a generalised multiplicative version of these indices and compute exact formulas for Polycyclic Aromatic Hydrocarbons and jagged-rectangle Benzenoid systems.

  17. Free-Form Kinetic Reciprocal System

    DEFF Research Database (Denmark)

    Parigi, Dario; Sassone, Mario

    2011-01-01

    Kinetic Reciprocal System (KRS) are innovative moveable structures based on the principle of reciprocity [1] with internal pin-slot constraints [2]. The analysis of KRS kinematic and static determinacy is developed through the construction of kinematic matrices, accordingly with [3] and a discuss...

  18. Alternative kinetic energy metrics for Lagrangian systems

    Science.gov (United States)

    Sarlet, W.; Prince, G.

    2010-11-01

    We examine Lagrangian systems on \\ {R}^n with standard kinetic energy terms for the possibility of additional, alternative Lagrangians with kinetic energy metrics different to the Euclidean one. Using the techniques of the inverse problem in the calculus of variations we find necessary and sufficient conditions for the existence of such Lagrangians. We illustrate the problem in two and three dimensions with quadratic and cubic potentials. As an aside we show that the well-known anomalous Lagrangians for the Coulomb problem can be removed by switching on a magnetic field, providing an appealing resolution of the ambiguous quantizations of the hydrogen atom.

  19. Studies concerning thermodynamics and kinetics of the absorption of halogenated hydrocarbons relevant to environment

    International Nuclear Information System (INIS)

    Weisweiler, W.; Eidam, K.; Winterbauer, H.

    1993-07-01

    In the context of the research project the scrubbing of air contaminated by peculiar volatile organic compounds was investigated using the absorption technique by means of high boiling organics as washing liquids. Eight chlorinated hydrocarbons well known from technical processes were chosen to be representative for the volatile organic compounds. Eleven absorption media were selected on the basis of their physical properties. For the determination of the solubility data of the absorption media due to chlorinated hydrocarbons, nitrogen as well as a mixture of nitrogen and oxygen were used as carrier gas. The influence of the dipole moment of the absorption media on the amount of solubility - expressed as enrichment factor - was studied, too. Concerning the technical application, the thermostability and the stability against diluted inorganic acids were studied as well. (orig.). 56 figs., 8 tabs., 63 refs [de

  20. Kinetics of hydrocarbon extraction from oil shale using biosurfactant producing bacteria

    Energy Technology Data Exchange (ETDEWEB)

    Haddadin, Malik S.Y.; Abou Arqoub, Ansam A.; Abu Reesh, Ibrahim [Faculty of Graduate Studies, Jordan University, Queen Rania Street, Amman, 11942 (Jordan); Haddadin, Jamal [Faculty of Agriculture, Mutah University, P.O. Box 59, Mutah 61710 (Jordan)

    2009-04-15

    This study was done to extract hydrocarbon compounds from El-Lajjun oil shale using biosurfactant produced from two strains Rhodococcus erythropolis and Rhodococcus ruber. The results have shown that, optimal biosurfactant production was found using naphthalene and diesel as a carbon source for R. erthropolis and R. ruber, respectively. Optimum nitrogen concentration was 9 g/l and 7 g/l for R. erthropolis and R. ruber, respectively. Optimum K{sub 2}HPO{sub 4} to KH{sub 2}PO{sub 4} ratio, temperature, pH, and agitation speeds were 2:1, 37 C, 7 and 200 rpm. Under optimal conditions R. erthropolis and R. ruber produced 5.67 and 6.9 g/l biosurfactant, respectively. Maximum recovery of oil achieved with hydrogen peroxide pre-treatment was 25% and 26% at biosurfactant concentration of 8 g/l and 4 g/l for R. erthropolis and R. ruber, respectively. The extent desorption of hydrocarbons from the pre-treated oil shale by biosurfactant were inversely related to the concentration of high molecular weight hydrocarbons, asphaltenes compounds. Pre-treatment of oil shale with hydrogen peroxide produced better improvement in aromatic compounds extraction in comparison with improvement which resulted from demineralization of the oil shale. (author)

  1. Kinetics of hydrocarbon extraction from oil shale using biosurfactant producing bacteria

    International Nuclear Information System (INIS)

    Haddadin, Malik S.Y.; Abou Arqoub, Ansam A.; Abu Reesh, Ibrahim; Haddadin, Jamal

    2009-01-01

    This study was done to extract hydrocarbon compounds from El-Lajjun oil shale using biosurfactant produced from two strains Rhodococcus erythropolis and Rhodococcus ruber. The results have shown that, optimal biosurfactant production was found using naphthalene and diesel as a carbon source for R. erthropolis and R. ruber, respectively. Optimum nitrogen concentration was 9 g/l and 7 g/l for R. erthropolis and R. ruber, respectively. Optimum K 2 HPO 4 to KH 2 PO 4 ratio, temperature, pH, and agitation speeds were 2:1, 37 deg. C, 7 and 200 rpm. Under optimal conditions R. erthropolis and R. ruber produced 5.67 and 6.9 g/l biosurfactant, respectively. Maximum recovery of oil achieved with hydrogen peroxide pre-treatment was 25% and 26% at biosurfactant concentration of 8 g/l and 4 g/l for R. erthropolis and R. ruber, respectively. The extent desorption of hydrocarbons from the pre-treated oil shale by biosurfactant were inversely related to the concentration of high molecular weight hydrocarbons, asphaltenes compounds. Pre- treatment of oil shale with hydrogen peroxide produced better improvement in aromatic compounds extraction in comparison with improvement which resulted from demineralization of the oil shale

  2. Chemical kinetic models for combustion of hydrocarbons and formation of nitric oxide

    Science.gov (United States)

    Jachimowski, C. J.; Wilson, C. H.

    1980-01-01

    The formation of nitrogen oxides NOx during combustion of methane, propane, and a jet fuel, JP-4, was investigated in a jet stirred combustor. The results of the experiments were interpreted using reaction models in which the nitric oxide (NO) forming reactions were coupled to the appropriate hydrocarbon combustion reaction mechanisms. Comparison between the experimental data and the model predictions reveals that the CH + N2 reaction process has a significant effect on NO formation especially in stoichiometric and fuel rich mixtures. Reaction models were assembled that predicted nitric oxide levels that were in reasonable agreement with the jet stirred combustor data and with data obtained from a high pressure (5.9 atm (0.6 MPa)), prevaporized, premixed, flame tube type combustor. The results also suggested that the behavior of hydrocarbon mixtures, like JP-4, may not be significantly different from that of pure hydrocarbons. Application of the propane combustion and nitric oxide formation model to the analysis of NOx emission data reported for various aircraft gas turbines showed the contribution of the various nitric oxide forming processes to the total NOx formed.

  3. Gamma-radiation induced polymerization of methyl methacrylate in aliphatic hydrocarbons: kinetics and evidence for incorporation of hydrocarbon in the polymer chain

    International Nuclear Information System (INIS)

    Mohan, H.; Iyer, R.M.

    1989-01-01

    On γ-radiolysis, the rate of polymerization of methyl methacrylate in hydrocarbon solvents is observed to decrease. It is explained by hydrocarbon entry into the polymer chains. The hydrocarbon entry into the polymer chains is observed to take place at later stages of polymerization and increases with hydrocarbon chain length. The extent of hydrocarbon entry into the polymer chains is estimated by NMR and GLC analysis. It is observed to be equal to ∼ 12% corresponding to ∼ 97 hexadecane molecules in each polymer chain. The IR, DSC, MW determination and radiation effects on the polymer showed evidences for hydrocarbon entry into the polymer. It is explained by chain transfer from the growing polymer radical to the hydrocarbon molecules. The chain transfer constant is determined to be equal to 1 x 10 -2 . (author)

  4. Carbon Dioxide Hydrogenation into Higher Hydrocarbons and Oxygenates: Thermodynamic and Kinetic Bounds and Progress with Heterogeneous and Homogeneous Catalysis.

    Science.gov (United States)

    Prieto, Gonzalo

    2017-03-22

    Under specific scenarios, the catalytic hydrogenation of CO 2 with renewable hydrogen is considered a suitable route for the chemical recycling of this environmentally harmful and chemically refractory molecule into added-value energy carriers and chemicals. The hydrogenation of CO 2 into C 1 products, such as methane and methanol, can be achieved with high selectivities towards the corresponding hydrogenation product. More challenging, however, is the selective production of high (C 2+ ) hydrocarbons and oxygenates. These products are desired as energy vectors, owing to their higher volumetric energy density and compatibility with the current fuel infrastructure than C 1 compounds, and as entry platform chemicals for existing value chains. The major challenge is the optimal integration of catalytic functionalities for both reductive and chain-growth steps. This Minireview summarizes the progress achieved towards the hydrogenation of CO 2 to C 2+ hydrocarbons and oxygenates, covering both solid and molecular catalysts and processes in the gas and liquid phases. Mechanistic aspects are discussed with emphasis on intrinsic kinetic limitations, in some cases inevitably linked to thermodynamic bounds through the concomitant reverse water-gas-shift reaction, which should be considered in the development of advanced catalysts and processes. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. On the kinetic theory of quantum systems

    International Nuclear Information System (INIS)

    Calkoen, C.J.

    1986-01-01

    The contents of this thesis which deals with transport phenomena of specific gases, plasmas and fluids, can be separated into two distinct parts. In the first part a statistical way is suggested to estimate the neutrino mass. Herefore use is made of the fact that massive neutrinos possess a non-zero volume viscosity in contrast with massless neutrinos. The second part deals with kinetic theory of strongly condensed quantum systems of which examples in nature are: liquid Helium, heavy nuclei, electrons in a metal and the interior of stars. In degenerate systems fermions in general interact strongly so that ordinary kinetic theory is not directly applicable. For such cases Landau-Fermi-liquid theory, in which the strongly interacting particles are replaced by much weaker interacting quasiparticles, proved to be very useful. A method is developed in this theory to calculate transport coefficients. Applications of this method on liquid 3 Helium yield surprisingly good agreement with experimental results for thermal conductivities. (Auth.)

  6. Kinetics of Hydrocarbon formation in a- C:H Film deposition plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Cal, E de la; Tabares, F L

    1993-07-01

    The formation of C2 and Cp hydrocarbons during the PACVD of a-C:H films from admixtures of methane with H2 and He has been investigated by mass spectrometry under several deposition condition. The time evolution of the observed species indicates that the formation mechanisms of ethylene and acetylene are sensitive to the conditions of the wall during the growing of the film. Acetylene are sensitive to the conditions of the wall during the growing of the film. Acetylene formation was found to be directly related to the formation of the film on top of the carburized metal. (Author) 12 refs.

  7. Kinetics of Hydrocarbon formation in a-C:H film deposition plasmas

    International Nuclear Information System (INIS)

    De la Cal, E.; Tabares, F.L.

    1993-01-01

    The formation of C 2 and C 3 hydrocarbons during the PACVD of a-C-H films from admixtures of methane with H 2 and He has been investigated by mass spectrometry under several deposition condition. The time evolution of the observed species indicates that the formation mechanism of ethylene and acetylene are sensitive to the conditions of the wall during the growing of the film. Acetylene are sensitive to the conditions of the wall during the growing of the carburized metal. (Author)

  8. Kinetics of Hydrocarbon formation in a-C:H Film deposition plasmas

    International Nuclear Information System (INIS)

    Cal, E. de la; Tabares, F. L.

    1993-01-01

    The formation of C2 and Cp hydrocarbons during the PACVD of a-C:H films from admixtures of methane with H2 and He has been investigated by mass spectrometry under several deposition condition. The time evolution of the observed species indicates that the formation mechanisms of ethylene and acetylene are sensitive to the conditions of the wall during the growing of the film. Acetylene are sensitive to the conditions of the wall during the growing of the film. Acetylene formation was found to be directly related to the formation of the film on top of the carburized metal. (Author) 12 refs

  9. The role of fluid migration system in hydrocarbon accumulation in Maichen Sag, Beibuwan Basin

    Science.gov (United States)

    Liu, Hongyu; Yang, Jinxiu; Wu, Feng; Chen, Wei; Liu, Qianqian

    2018-02-01

    Fluid migration system is of great significance for hydrocarbon accumulation, including the primary migration and secondary migration. In this paper, the fluid migration system is analysed in Maichen Sag using seismic, well logging and core data. Results show that many factors control the hydrocarbon migration process, including hydrocarbon generation and expulsion period from source rocks, microfractures developed in the source rocks, the connected permeable sand bodies, the vertical faults cutting into/through the source rocks and related fault activity period. The spatial and temporal combination of these factors formed an effective network for hydrocarbon expulsion and accumulation, leading to the hydrocarbon reservoir distribution at present. Generally, a better understanding of the hydrocarbon migration system can explain the present status of hydrocarbon distribution, and help select future target zones for oil and gas exploration.

  10. Noble gas and hydrocarbon tracers in multiphase unconventional hydrocarbon systems: Toward integrated advanced reservoir simulators

    Science.gov (United States)

    Darrah, T.; Moortgat, J.; Poreda, R. J.; Muehlenbachs, K.; Whyte, C. J.

    2015-12-01

    Although hydrocarbon production from unconventional energy resources has increased dramatically in the last decade, total unconventional oil and gas recovery from black shales is still less than 25% and 9% of the totals in place, respectively. Further, the majority of increased hydrocarbon production results from increasing the lengths of laterals, the number of hydraulic fracturing stages, and the volume of consumptive water usage. These strategies all reduce the economic efficiency of hydrocarbon extraction. The poor recovery statistics result from an insufficient understanding of some of the key physical processes in complex, organic-rich, low porosity formations (e.g., phase behavior, fluid-rock interactions, and flow mechanisms at nano-scale confinement and the role of natural fractures and faults as conduits for flow). Noble gases and other hydrocarbon tracers are capably of recording subsurface fluid-rock interactions on a variety of geological scales (micro-, meso-, to macro-scale) and provide analogs for the movement of hydrocarbons in the subsurface. As such geochemical data enrich the input for the numerical modeling of multi-phase (e.g., oil, gas, and brine) fluid flow in highly heterogeneous, low permeability formations Herein we will present a combination of noble gas (He, Ne, Ar, Kr, and Xe abundances and isotope ratios) and molecular and isotopic hydrocarbon data from a geographically and geologically diverse set of unconventional hydrocarbon reservoirs in North America. Specifically, we will include data from the Marcellus, Utica, Barnett, Eagle Ford, formations and the Illinois basin. Our presentation will include geochemical and geological interpretation and our perspective on the first steps toward building an advanced reservoir simulator for tracer transport in multicomponent multiphase compositional flow (presented separately, in Moortgat et al., 2015).

  11. Significance of Microbiology in Porous Hydrocarbon Related Systems

    KAUST Repository

    Augsburger, Nicolas

    2017-07-01

    This thesis explores bio-mediated processes in geotechnical and petroleum engineering. Worldwide energy consumption is rapidly increasing as the world population and per-capita consumption rises. The US Energy Information Agency (EIA) predicts that hydrocarbons will remain the primary energy source to satisfy the surging energy demands in the near future. The three topics described in detail in this document aim to link microbiology with geotechnical engineering and the petroleum industry. Microorganisms have the potential to exploit residual hydrocarbons in depleted reservoirs in a technique known as microbial enhanced oil recovery, MEOR. The potential of biosurfactants was analyzed in detail with a literature review. Biosurfactant production is the most accepted MEOR technique, and has been successfully implemented in over 700 field cases. Temperature is the main limiting factor for these techniques. The dissolution of carbonates by microorganisms was investigated experimentally. We designed a simple, economical, and robust procedure to monitor diffusion through porous media. This technique determined the diffusion coefficient of H+ in 1.5% agar, 1.122 x 10-5 cm2 sec-1, by using bromothymol blue as a pH indicator and image processing. This robust technique allows for manipulation of the composition of the agar to identify the effect of specific compounds on diffusion. The Red Sea consists of multiple seeps; the nearby sediments are telltales of deeper hydrocarbon systems. Microbial communities associated with the sediments function as in-situ sensors that provide information about the presence of carbon sources, metabolites, and the remediation potential. Sediments seeps in the Red Sea revealed different levels of bioactivity. The more active seeps, from the southern site in the Red Sea, indicated larger pore sizes, higher levels of carbon, and bioactivity with both bacteria and archaeal species present.

  12. Characterization of a nose-only inhalation exposure system for hydrocarbon mixtures and jet fuels.

    Science.gov (United States)

    Martin, Sheppard A; Tremblay, Raphael T; Brunson, Kristyn F; Kendrick, Christine; Fisher, Jeffrey W

    2010-04-01

    A directed-flow nose-only inhalation exposure system was constructed to support development of physiologically based pharmacokinetic (PBPK) models for complex hydrocarbon mixtures, such as jet fuels. Due to the complex nature of the aerosol and vapor-phase hydrocarbon exposures, care was taken to investigate the chamber hydrocarbon stability, vapor and aerosol droplet compositions, and droplet size distribution. Two-generation systems for aerosolizing fuel and hydrocarbons were compared and characterized for use with either jet fuels or a simple mixture of eight hydrocarbons. Total hydrocarbon concentration was monitored via online gas chromatography (GC). Aerosol/vapor (A/V) ratios, and total and individual hydrocarbon concentrations, were determined using adsorbent tubes analyzed by thermal desorption-gas chromatography-mass spectrometry (TDS-GC-MS). Droplet size distribution was assessed via seven-stage cascade impactor. Droplet mass median aerodynamic diameter (MMAD) was between 1 and 3 mum, depending on the generator and mixture utilized. A/V hydrocarbon concentrations ranged from approximately 200 to 1300 mg/m(3), with between 20% and 80% aerosol content, depending on the mixture. The aerosolized hydrocarbon mixtures remained stable during the 4-h exposure periods, with coefficients of variation (CV) of less than 10% for the total hydrocarbon concentrations. There was greater variability in the measurement of individual hydrocarbons in the A-V phase. In conclusion, modern analytical chemistry instruments allow for improved descriptions of inhalation exposures of rodents to aerosolized fuel.

  13. A kinetically blocked 1,14:11,12-dibenzopentacene: A persistent triplet diradical of a non-Kekulé polycyclic benzenoid hydrocarbon

    KAUST Repository

    Li, Yuan; Huang, Kuo-Wei; Sun, Zhe; Webster, Richard D.; Zeng, Zebing; Zeng, Wangdong; Chi, Chunyan; Furukawa, Ko; Wu, Jishan

    2014-01-01

    The synthesis of high-spin polycyclic hydrocarbons is very challenging due to their extremely high reactivity. Herein, we report the synthesis and characterization of a kinetically blocked 1,14:11,12-dibenzopentacene, DP-Mes, which represents a rare persistent triplet diradical of a non-Kekulé polycyclic benzenoid hydrocarbon. In contrast to its structural isomer 1,14:7,8-dibenzopentacene (heptazethrene) with a singlet biradical ground state, DP-Mes is a triplet diradical as confirmed by ESR and ESTN measurements and density functional theory calculations. DP-Mes also displays intermolecular antiferromagnetic spin interactions in solution at low temperature. © 2014 the Partner Organisations.

  14. Total hydrocarbon content (THC) testing in liquid oxygen (LOX) systems

    Science.gov (United States)

    Meneghelli, B. J.; Obregon, R. E.; Ross, H. R.; Hebert, B. J.; Sass, J. P.; Dirschka, G. E.

    2015-12-01

    The measured Total Hydrocarbon Content (THC) levels in liquid oxygen (LOX) systems at Stennis Space Center (SSC) have shown wide variations. Examples of these variations include the following: 1) differences between vendor-supplied THC values and those obtained using standard SSC analysis procedures; and 2) increasing THC values over time at an active SSC test stand in both storage and run vessels. A detailed analysis of LOX sampling techniques, analytical instrumentation, and sampling procedures will be presented. Additional data obtained on LOX system operations and LOX delivery trailer THC values during the past 12-24 months will also be discussed. Field test results showing THC levels and the distribution of the THC's in the test stand run tank, modified for THC analysis via dip tubes, will be presented.

  15. Photolysis of polycyclic aromatic hydrocarbons (PAHs) on Fe3+-montmorillonite surface under visible light: Degradation kinetics, mechanism, and toxicity assessments.

    Science.gov (United States)

    Zhao, Song; Jia, Hanzhong; Nulaji, Gulimire; Gao, Hongwei; Wang, Fu; Wang, Chuanyi

    2017-10-01

    Photochemical behavior of various polycyclic aromatic hydrocarbons (PAHs) on Fe 3+ -modified montmorillonite was explored to determine their potential kinetics, pathways, and mechanism under visible light. Depending on the type of PAH molecules, the transformation rate follows the order of benzo[a]pyrene ≈ anthracene > benzo[a]anthracene > phenanthrene. Quantum simulation results confirm the crucial role of "cation-π" interaction between Fe 3+ and PAHs on their transformation kinetics. Primary intermediates, including quinones, ring-opening products and benzene derivatives, were identified by gas chromatography-mass spectrometer (GC-MS), and the possible photodegradation pathway of benzo[a]pyrene was proposed. Meanwhile, radical intermediates, such as reactive oxygen species (ROS) and free organic radicals, were detected by electron paramagnetic resonance (EPR) technique. The photolysis of selected PAHs, such as anthracene and benzo[a]pyrene, on clay surface firstly occurs by electron transfer from PAHs to Fe 3+ -montmorillonite, followed by degradation involving photo-induced ROS such as ·OH and ·O 2 - . To investigate the acute toxicity of photolysis products, the Microtox ® toxicity test was performed during the photodegradation processes of various PAHs. As a result, the photo-irradiation initially induces increased toxicity by generating reactive intermediates, such as free organic radicals, and then the toxicity gradually decreases with increasing of reaction time. Overall, the present study provides useful information to understand the fate and photo-transformation of PAHs in contaminated soils. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. Kinetic theory for strongly coupled Coulomb systems

    Science.gov (United States)

    Dufty, James; Wrighton, Jeffrey

    2018-01-01

    The calculation of dynamical properties for matter under extreme conditions is a challenging task. The popular Kubo-Greenwood model exploits elements from equilibrium density-functional theory (DFT) that allow a detailed treatment of electron correlations, but its origin is largely phenomenological; traditional kinetic theories have a more secure foundation but are limited to weak ion-electron interactions. The objective here is to show how a combination of the two evolves naturally from the short-time limit for the generator of the effective single-electron dynamics governing time correlation functions without such limitations. This provides a theoretical context for the current DFT-related approach, the Kubo-Greenwood model, while showing the nature of its corrections. The method is to calculate the short-time dynamics in the single-electron subspace for a given configuration of the ions. This differs from the usual kinetic theory approach in which an average over the ions is performed as well. In this way the effective ion-electron interaction includes strong Coulomb coupling and is shown to be determined from DFT. The correlation functions have the form of the random-phase approximation for an inhomogeneous system but with renormalized ion-electron and electron-electron potentials. The dynamic structure function, density response function, and electrical conductivity are calculated as examples. The static local field corrections in the dielectric function are identified in this way. The current analysis is limited to semiclassical electrons (quantum statistical potentials), so important quantum conditions are excluded. However, a quantization of the kinetic theory is identified for broader application while awaiting its detailed derivation.

  17. The evaluation of polycyclic aromatic hydrocarbons (PAHs) biodegradation kinetics in soil amended with organic fertilizers and bulking agents.

    Science.gov (United States)

    Włóka, Dariusz; Placek, Agnieszka; Rorat, Agnieszka; Smol, Marzena; Kacprzak, Małgorzata

    2017-11-01

    The aim of this study was to investigate the polycyclic aromatic hydrocarbons (PAHs) biodegradation kinetics in soils fertilized with organic amendments (sewage sludge, compost), bulking agents (mineral sorbent, silicon dioxide in form of nano powder), and novel compositions of those materials. The scope of conducted works includes a cyclic CO 2 production measurements and the determinations of PAHs content in soil samples, before and after 3-months of incubation. Obtained results show that the use of both type of organic fertilizers have a positive effect on the PAHs removal from soil. However, the CO 2 emission remains higher only in the first stage of the process. The best acquired means in terms of PAHs removal as well as most sustained CO 2 production were noted in samples treated with the mixtures of organic fertilizers and bulking agents. In conclusion the addition of structural forming materials to the organic fertilizers was critical for the soil bioremediation efficiency. Therefore, the practical implementation of collected data could find a wide range of applications during the design of new, more effective solutions for the soil bioremediation purposes. Copyright © 2017 Elsevier Inc. All rights reserved.

  18. Dynamics of asymmetric kinetic Ising systems revisited

    International Nuclear Information System (INIS)

    Huang, Haiping; Kabashima, Yoshiyuki

    2014-01-01

    The dynamics of an asymmetric kinetic Ising model is studied. Two schemes for improving the existing mean-field description are proposed. In the first scheme, we derive the formulas for instantaneous magnetization, equal-time correlation, and time-delayed correlation, considering the correlation between different local fields. To derive the time-delayed correlation, we emphasize that the small-correlation assumption adopted in previous work (Mézard and Sakellariou, 2011 J. Stat. Mech. L07001) is in fact not required. To confirm the prediction efficiency of our method, we perform extensive simulations on single instances with either temporally constant external driving fields or sinusoidal external fields. In the second scheme, we develop an improved mean-field theory for instantaneous magnetization prediction utilizing the notion of the cavity system in conjunction with a perturbative expansion approach. Its efficiency is numerically confirmed by comparison with the existing mean-field theory when partially asymmetric couplings are present. (paper)

  19. Supercritical kinetic analysis in simplified system of fuel debris using integral kinetic model

    International Nuclear Information System (INIS)

    Tuya, Delgersaikhan; Obara, Toru

    2016-01-01

    Highlights: • Kinetic analysis in simplified weakly coupled fuel debris system was performed. • The integral kinetic model was used to simulate criticality accidents. • The fission power and released energy during simulated accident were obtained. • Coupling between debris regions and its effect on the fission power was obtained. - Abstract: Preliminary prompt supercritical kinetic analyses in a simplified coupled system of fuel debris designed to roughly resemble a melted core of a nuclear reactor were performed using an integral kinetic model. The integral kinetic model, which can describe region- and time-dependent fission rate in a coupled system of arbitrary geometry, was used because the fuel debris system is weakly coupled in terms of neutronics. The results revealed some important characteristics of coupled systems, such as the coupling between debris regions and the effect of the coupling on the fission rate and released energy in each debris region during the simulated criticality accident. In brief, this study showed that the integral kinetic model can be applied to supercritical kinetic analysis in fuel debris systems and also that it can be a useful tool for investigating the effect of the coupling on consequences of a supercritical accident.

  20. Systems and processes for conversion of ethylene feedstocks to hydrocarbon fuels

    Science.gov (United States)

    Lilga, Michael A.; Hallen, Richard T.; Albrecht, Karl O.; Cooper, Alan R.; Frye, John G.; Ramasamy, Karthikeyan Kallupalayam

    2018-04-03

    Systems, processes, and catalysts are disclosed for obtaining fuel and fuel blends containing selected ratios of open-chain and closed-chain fuel-range hydrocarbons suitable for production of alternate fuels including gasolines, jet fuels, and diesel fuels. Fuel-range hydrocarbons may be derived from ethylene-containing feedstocks and ethanol-containing feedstocks.

  1. Systems and processes for conversion of ethylene feedstocks to hydrocarbon fuels

    Science.gov (United States)

    Lilga, Michael A.; Hallen, Richard T.; Albrecht, Karl O.; Cooper, Alan R.; Frye, John G.; Ramasamy, Karthikeyan Kallupalayam

    2017-09-26

    Systems, processes, and catalysts are disclosed for obtaining fuels and fuel blends containing selected ratios of open-chain and closed-chain fuel-range hydrocarbons suitable for production of alternate fuels including gasolines, jet fuels, and diesel fuels. Fuel-range hydrocarbons may be derived from ethylene-containing feedstocks and ethanol-containing feedstocks.

  2. Late production of hydrocarbon gases in sedimentary basins: kinetic and isotopic study; Genese tardive des gaz hydrocarbures dans les bassins sedimentaires: etude cinetique et isotopique

    Energy Technology Data Exchange (ETDEWEB)

    Lorant, F.

    1999-06-23

    The thermal decomposition of sedimentary organic matter, or kerogen, within the metagenesis zone (T > 170 deg. C) leads to the formation of large amounts of late gas, mainly composed by methane. The work reported in this dissertation aims at understanding and quantifying the mechanisms of late methane generation and isotopic fractionation. With this purpose, natural samples of Type II and Type III mature kerogens (Ro > 1.3%, H/C < 0.65), were artificially heated in both open (T = 350 to 900 deg. C at 25 deg. C/min) and closed (T = 375 to 550 deg. C with t = 1 to 216 h) systems. For each experiment, mass and atomic (C, H, O) balances were obtained by recovering, fractionating and quantifying the entire pyrolysis effluents. Moreover, the isotopic compositions ({sup 13}C/{sup 12}C ratios) of methane and insoluble residue produced in closed system were measured. These experimental simulations have shown that the amounts of methane generated in an open-pyrolysis system (9 to 40 mg/gC) are systematically inferior to that observed in a closed-pyrolysis system (44 to 68 mg/gC), even after correction of the possible C{sub 2}-C{sub 5} and C{sub 6+} hydrocarbons secondary cracking. This shift, which is larger for Type II kerogens compared to coals and Type II-S kerogens, seems to be correlated with the pyrite content of the samples. Based on the closed-pyrolysis system data, a kinetic scheme, suitable for both Type II and Type III kerogens, was established. It includes three consecutive reactions, whose apparent kinetic parameters do not allow accounting for the corresponding rate constants observed in open system: E{sub 1} = 64.7 kcal/mol and A{sub 1} = 2.58 x 10{sup 15} s{sup -1}, E{sub 2} = 52.8 kcal/mol and A{sub 2} = 5.50 x 10{sup 10} s{sup -1}, E{sub 3} = 55-58 kcal/mol and A{sub 3} = 7.52 x 10{sup 9} s{sup -1}. By extrapolation to geological setting, it was thus predicted that kerogens might generate about 15 mg/gC of late methane between 170 and 200 deg. C. In order

  3. Stochastic chemical kinetics theory and (mostly) systems biological applications

    CERN Document Server

    Érdi, Péter; Lente, Gabor

    2014-01-01

    This volume reviews the theory and simulation methods of stochastic kinetics by integrating historical and recent perspectives, presents applications, mostly in the context of systems biology and also in combustion theory. In recent years, due to the development in experimental techniques, such as optical imaging, single cell analysis, and fluorescence spectroscopy, biochemical kinetic data inside single living cells have increasingly been available. The emergence of systems biology brought renaissance in the application of stochastic kinetic methods.

  4. Kinetic energy recovery systems in motor vehicles

    Science.gov (United States)

    Śliwiński, C.

    2016-09-01

    The article draws attention to the increasing environmental pollution caused by the development of vehicle transport and motorization. Different types of design solutions used in vehicles for the reduction of fuel consumption, and thereby emission of toxic gasses into the atmosphere, were specified. Historical design solutions concerning energy recovery devices in mechanical vehicles which used flywheels to accumulate kinetic energy were shown. Developmental tendencies in the area of vehicle manufacturing in the form of hybrid electric and electric devices were discussed. Furthermore, designs of energy recovery devices with electrical energy storage from the vehicle braking and shock absorbing systems were presented. A mechanical energy storing device using a flywheel operating under vacuum was presented, as were advantages and disadvantages of both systems, the limitations they impose on individual constructions and safety issues. The paper also discusses a design concept of an energy recovery device in mechanical vehicles which uses torsion springs as the main components of energy accumulation during braking. The desirability of a cooperation of both the mechanical- and electrical energy recovery devices was indicated.

  5. The Einstein-Vlasov System/Kinetic Theory.

    Science.gov (United States)

    Andréasson, Håkan

    2011-01-01

    The main purpose of this article is to provide a guide to theorems on global properties of solutions to the Einstein-Vlasov system. This system couples Einstein's equations to a kinetic matter model. Kinetic theory has been an important field of research during several decades in which the main focus has been on non-relativistic and special relativistic physics, i.e., to model the dynamics of neutral gases, plasmas, and Newtonian self-gravitating systems. In 1990, Rendall and Rein initiated a mathematical study of the Einstein-Vlasov system. Since then many theorems on global properties of solutions to this system have been established. This paper gives introductions to kinetic theory in non-curved spacetimes and then the Einstein-Vlasov system is introduced. We believe that a good understanding of kinetic theory in non-curved spacetimes is fundamental to a good comprehension of kinetic theory in general relativity.

  6. Configuration of a pulse radiolysis system for the study of gas-phase reactions and kinetic investigations of the reactions of hydroxyl radicals with methyl and ethyl radicals

    International Nuclear Information System (INIS)

    Fagerstroem, K.

    1993-01-01

    The work that is presented in this thesis deals with the assembling and testing of a pulse radiolysis system for kinetic studies of gas-phase reactions as well as with the kinetics of the gas-phase reactions of hydroxyl radicals with methyl and ethyl radicals. These radicals are very important as these are formed at an early stage in hydrocarbon combustion processes. The two studied reactions are key reactions in those processes. (6 refs., 4 figs., 2 tabs.)

  7. Selectivity of radiation-induced processes in hydrocarbons, related polymers and organized polymer systems

    International Nuclear Information System (INIS)

    Feldman, V.I.; Sukhov, F.F.; Zezin, A.A.; Orlov, A.Yu.

    1999-01-01

    Fundamental aspects of the selectivity of radiation-induced events in polymers and polymeric systems were considered: (1) The grounds of selectivity of the primary events were analyzed on the basis of the results of studies of model compounds (molecular aspect). Basic results were obtained for hydrocarbon molecules irradiated in low-temperature matrices. The effects of selective localization of the primary events on the radical formation were examined for several polymers irradiated at low and superlow temperatures (77 and 15 K). A remarkable correlation between the properties of prototype ionized molecules (radical cations) and selectivity of the primary bond rupture in the corresponding polymers were found for polyethylene, polystyrene and some other hydrocarbon polymers. The first direct indication of selective localization of primary events at conformational defects was obtained for oriented high-crystalline polyethylene irradiated at 15 K. The significance of dimeric ring association was proved for the radiation chemistry of polystyrene. Specific mechanisms of low-temperature radiation-induced degradation were also analyzed for polycarbonate and poly(alkylene terephthalates). (2) Specific features of the localization of primary radiation-induced events in microheterogeneous polymeric systems were investigated (microstructural aspect). It was found that the interphase processes played an important role in the radiation chemistry of such systems. The interphase electron migration may result in both positive and negative non-additive effects in the formation of radiolysis products. The effects of component diffusion and chemical reactions on the radiation-induced processes in microheterogeneous polymeric systems were studied with the example of polycarbonate - poly(alkylene terephthalate) blends. (3) The effects of restricted molecular motion on the development of the radiation-chemical processes in polymers were investigated (dynamic aspect). In particular, it

  8. Parametric Investigation of the Isothermal Kinetics of Growth of Graphene on a Nickel Catalyst in the Process of Chemical Vapor Deposition of Hydrocarbons

    Science.gov (United States)

    Futko, S. I.; Shulitskii, B. G.; Labunov, V. A.; Ermolaeva, E. M.

    2016-11-01

    A kinetic model of isothermal synthesis of multilayer graphene on the surface of a nickel foil in the process of chemical vapor deposition, on it, of hydrocarbons supplied in the pulsed regime is considered. The dependences of the number of graphene layers formed and the time of their growth on the temperature of the process, the concentration of acetylene, and the thickness of the nickel foil were calculated. The regime parameters of the process of chemical vapor deposition, at which single-layer graphene and bi-layer graphene are formed, were determined. The dynamics of growth of graphene domains at chemical-vapor-deposition parameters changing in wide ranges was investigated. It is shown that the time dependences of the rates of growth of single-layer graphene and bi-layer graphene are nonlinear in character and that they are determined by the kinetics of nucleation and growth of graphene and the diffusion flow of carbon atoms in the nickel foil.

  9. Feasibility of treating aged polycyclic aromatic hydrocarbons (PAHs)-contaminated soils using ethyl lactate-based Fenton treatment via parametric and kinetic studies.

    Science.gov (United States)

    Yap, Chiew Lin; Gan, Suyin; Ng, Hoon Kiat

    2015-01-01

    This study focuses on the feasibility of treating aged polycyclic aromatic hydrocarbons (PAHs)-contaminated soils using ethyl lactate (EL)-based Fenton treatment via a combination of parametric and kinetic studies. An optimised operating condition was observed at 66.7 M H2O2 with H2O2/Fe(2+) of 40:1 for low soil organic carbon (SOC) content and mildly acidic soil (pH 6.2), and 10:1 for high SOC and very acidic soil (pH 4.4) with no soil pH adjustment. The desorption kinetic was only mildly shifted from single equilibrium to dual equilibrium of the first-order kinetic model upon ageing. Pretreatment with EL fc = 0.60 greatly reduced the mass transfer coefficient especially for the slow desorbed fraction (kslow) of high molecular weight (HMW) PAHs, largely contributed by the concentration gradient created by EL-enhanced solubility. As the major desorption obstacle was almost fully overcome by the pretreatment, the pseudo-first-order kinetic reaction rate constant of PAHs degradation of aged soils was statistically discernible from that of freshly contaminated soils but slightly reduced in high SOC and high acidity soil. Stabilisation of H2O2 by EL addition in combination with reduced Fe(2+) catalyst were able to slow the decomposition rate of H2O2 even at higher soil pH.

  10. Determining Biodegradation Kinetics of Hydrocarbons at Low Concentrations: Covering 5 and 9 Orders of Magnitude of Kow and Kaw

    DEFF Research Database (Denmark)

    Birch, Heidi; Høst Hammershøj, Rikke; Mayer, Philipp

    2018-01-01

    a loaded silicone donor was used to set the concentration of each hydrocarbon in mixture stock solutions; (2) these solutions were combined with environmental water samples in gastight auto sampler vials for 1-100 days incubation, and (3) automated solid phase microextraction (SPME) coupled to GC...

  11. Inhalation of Hydrocarbon Jet Fuel Suppress Central Auditory Nervous System Function.

    Science.gov (United States)

    Guthrie, O'neil W; Wong, Brian A; McInturf, Shawn M; Reboulet, James E; Ortiz, Pedro A; Mattie, David R

    2015-01-01

    More than 800 million L/d of hydrocarbon fuels is used to power cars, boats, and jet airplanes. The weekly consumption of these fuels necessarily puts the public at risk for repeated inhalation exposure. Recent studies showed that exposure to hydrocarbon jet fuel produces lethality in presynaptic sensory cells, leading to hearing loss, especially in the presence of noise. However, the effects of hydrocarbon jet fuel on the central auditory nervous system (CANS) have not received much attention. It is important to investigate the effects of hydrocarbons on the CANS in order to complete current knowledge regarding the ototoxic profile of such exposures. The objective of the current study was to determine whether inhalation exposure to hydrocarbon jet fuel might affect the functions of the CANS. Male Fischer 344 rats were randomly divided into four groups (control, noise, fuel, and fuel + noise). The structural and functional integrity of presynaptic sensory cells was determined in each group. Neurotransmission in both peripheral and central auditory pathways was simultaneously evaluated in order to identify and differentiate between peripheral and central dysfunctions. There were no detectable effects on pre- and postsynaptic peripheral functions. However, the responsiveness of the brain was significantly depressed and neural transmission time was markedly delayed. The development of CANS dysfunctions in the general public and the military due to cumulative exposure to hydrocarbon fuels may represent a significant but currently unrecognized public health issue.

  12. MANTLE SOURCES OF GENERATION OF HYDROCARBONS: GEOLOGY-PHYSICAL SIGNS AND FORECAST-SEARCHING CRITERIONS OF MAPPING; REGULARITY OF AN OIL-AND-GAS-BEARING CAPACITY AS UNLOADING REFLEX OF MANTLE HYDROCARBON-SYSTEMS IN THE CRUST OF THE EARTH

    OpenAIRE

    Тімурзіїв, А.І.

    2017-01-01

    In the conditions of the developed uncertainty concerning the nature of primary sources (donors) and the generation focal (reactionary chambers) of deep hydrocarbons, questions of the nature of donors and the sources of generation of deep hydrocarbons systems, the mechanism and ways of generation and in-source mobilization of hydrocarbons in the top mantle of the Earth and evacuation (vertical migration) of hydrocarbon-systems from the generation sources in the mantle of the Earth into the ac...

  13. Stability of hydrocarbon systems at thermobaric conditions corresponding to depth down to 50 km

    Science.gov (United States)

    Kutcherov, V.; Kolesnikov, A.; Mukhina, E.; Serovaiskii, A.

    2017-12-01

    Most of the theoretical models show that crude oil stability is limited by the depth of 6-8 km (`oil window'). Commercial discovery of crude oil deposits on the depth more than 10 km in the different petroleum basins worldwide casts doubt on the validity of the above-mentioned theoretical calculations. Therefore, the question at which depth complex hydrocarbon systems could be stable is important not only from fundamental research point of view but has a great practical application. To answer this question a hydrocarbon mixture was investigated under thermobaric conditions corresponding to the conditions of the Earth's lower crust. Experiments were conducted by means of Raman Mössbauer spectroscopy. The results obtained show that the complex hydrocarbon systems could be stable and remain their qualitative and quantitative composition at temperature 320-450 °C and pressure 0.7-1.4 GPa. The oxidizing resistance of hydrocarbon system was tested in the modelled the Earth's crust surrounding. The hydrocarbon system stability at the presence of Fe2O3 strongly confirms that the Earth's crust oxygen fugacity does not influence on petroleum composition. The data obtained broaden our knowledge about the possible range of depths for crude oil and natural gas deposits in the Earth's crust and give us the possibility to revise the depth of petroleum deposits occurrence.

  14. The Einstein-Vlasov System/Kinetic Theory

    Directory of Open Access Journals (Sweden)

    Håkan Andréasson

    2002-12-01

    Full Text Available The main purpose of this article is to provide a guide to theorems on global properties of solutions to the Einstein-Vlasov system. This system couples Einstein's equations to a kinetic matter model. Kinetic theory has been an important field of research during several decades in which the main focus has been on nonrelativistic and special relativistic physics, i.e., to model the dynamics of neutral gases, plasmas, and Newtonian self-gravitating systems. In 1990, Rendall and Rein initiated a mathematical study of the Einstein-Vlasov system. Since then many theorems on global properties of solutions to this system have been established. The Vlasov equation describes matter phenomenologically, and it should be stressed that most of the theorems presented in this article are not presently known for other such matter models (i.e., fluid models. This paper gives introductions to kinetic theory in non-curved spacetimes and then the Einstein-Vlasov system is introduced. We believe that a good understanding of kinetic theory in non-curved spacetimes is fundamental to good comprehension of kinetic theory in general relativity.

  15. Solution mining systems and methods for treating hydrocarbon containing formations

    Science.gov (United States)

    Vinegar, Harold J [Bellaire, TX; de Rouffignac, Eric Pierre [Rijswijk, NL; Schoeling, Lanny Gene [Katy, TX

    2009-07-14

    A method for treating an oil shale formation comprising nahcolite is disclosed. The method includes providing a first fluid to a portion of the formation through at least two injection wells. A second fluid is produced from the portion through at least one injection well until at least two injection wells are interconnected such that fluid can flow between the two injection wells. The second fluid includes at least some nahcolite dissolved in the first fluid. The first fluid is injected through one of the interconnected injection wells. The second fluid is produced from at least one of the interconnected injection wells. Heat is provided from one or more heaters to the formation to heat the formation. Hydrocarbon fluids are produced from the formation.

  16. Simulation of the high-pressure phase equilibria of hydrocarbon-water/brine systems

    DEFF Research Database (Denmark)

    Zuo, You-Xiang; Stenby, Erling Halfdan; Guo, Tian-Min

    1996-01-01

    The major objectives of this work are: (1) extend the modified Patel-Teja (MPT) equation of state proposed for aqueous electrolyte systems (Zuo and Guo, 1991) to describe the liquid-liquid and vapor-liquid-liquid equilibria of hydrocarbon-water/brine systems through introducing an unconventional...

  17. Migration kinetics of mineral oil hydrocarbons from recycled paperboard to dry food: monitoring of two real cases.

    Science.gov (United States)

    Lorenzini, R; Biedermann, M; Grob, K; Garbini, D; Barbanera, M; Braschi, I

    2013-01-01

    Mineral oil hydrocarbons present in printing inks and recycled paper migrate from paper-based food packaging to foods primarily through the gas phase. Migration from two commercial products packed in recycled paperboard, i.e. muesli and egg pasta, was monitored up to the end of their shelf life (1 year) to study the influence of time, storage conditions, food packaging structure and temperature. Mineral oil saturated and aromatic hydrocarbons (MOSH and MOAH, respectively), and diisopropyl naphthalenes (DIPN) were monitored using online HPLC-GC/FID. Storage conditions were: free standing, shelved, and packed in transport boxes of corrugated board, to represent domestic, supermarket and warehouse storage, respectively. Migration to food whose packs were kept in transport boxes was the highest, especially after prolonged storage, followed by shelved and free-standing packs. Tested temperatures were representative of refrigeration, room temperature, storage in summer months and accelerated migration testing. Migration was strongly influenced by temperature: for egg pasta directly packed in paperboard, around 30 mg kg⁻¹ of MOSH migrated in 8 months at 20°C, but in only 1 week at 40°C. Muesli was contained into an internal polyethylene bag, which firstly adsorbed hydrocarbons and later released them partly towards the food. Differently, the external polypropylene bag, containing pasta and recycled paper tray, strongly limited the migration towards the atmosphere and gave rise to the highest level of food contamination. Tests at increased temperatures not only accelerated migration, but also widened the migration of hydrocarbons to higher molecular masses, highlighting thus a difficult interpretation of data from accelerated simulation.

  18. Chemical Kinetics of Progesterone Radioimmunoassay System

    International Nuclear Information System (INIS)

    Abdel-Fattah, A.A.; Moustsfs, K.A.; El-Kolally, M.T.

    2004-01-01

    Progesterone is one of the steroids secreted by the corpus Iuteum in females during the menstrual cycle, and in a much higher amount by the placenta during pregnancy. It is also secreted in a minor quantities by the adrenal cortex in both males and females. Measurement of serum progesterone represents one of diagnostic values in menstrual disorders and infertility. The progesterone radioimmunoassay is based on the competition between unlabelled progesterone and a fixed quantity of 125 I-labeled progesterone for a limited number of binding sites on progesterone specific antibody. Allowing for a fixed amount of magnetizable immunosorbent to react, the antigen-antibody complex is bound on solid particles which are then separated by magnetic rack, and the radioactivity of the solid phase was counted using gamma counter. In this work, the chemical kinetics of the assay was followed, where the specific rate constant (K) was calculated at 4 degree and 37 degree and the activation energy (E act ) were calculated and the reaction rate was deduced

  19. High-Pressure Catalytic Reactions of C6 Hydrocarbons on PlatinumSingle-Crystals and nanoparticles: A Sum Frequency Generation VibrationalSpectroscopic and Kinetic Study

    Energy Technology Data Exchange (ETDEWEB)

    Bratlie, Kaitlin [Univ. of California, Berkeley, CA (United States)

    2007-01-01

    Catalytic reactions of cyclohexene, benzene, n-hexane, 2-methylpentane, 3-methylpentane, and 1-hexene on platinum catalysts were monitored in situ via sum frequency generation (SFG) vibrational spectroscopy and gas chromatography (GC). SFG is a surface specific vibrational spectroscopic tool capable of monitoring submonolayer coverages under reaction conditions without gas-phase interference. SFG was used to identify the surface intermediates present during catalytic processes on Pt(111) and Pt(100) single-crystals and on cubic and cuboctahedra Pt nanoparticles in the Torr pressure regime and at high temperatures (300K-450K). At low pressures (<10-6 Torr), cyclohexene hydrogenated and dehydrogenates to form cyclohexyl (C6H11) and π-allyl C6H9, respectively, on Pt(100). Increasing pressures to 1.5 Torr form cyclohexyl, π-allyl C6H9, and 1,4-cyclohexadiene, illustrating the necessity to investigate catalytic reactions at high-pressures. Simultaneously, GC was used to acquire turnover rates that were correlated to reactive intermediates observed spectroscopically. Benzene hydrogenation on Pt(111) and Pt(100) illustrated structure sensitivity via both vibrational spectroscopy and kinetics. Both cyclohexane and cyclohexene were produced on Pt(111), while only cyclohexane was formed on Pt(100). Additionally, π-allyl c-C6H9 was found only on Pt(100), indicating that cyclohexene rapidly dehydrogenates on the (100) surface. The structure insensitive production of cyclohexane was found to exhibit a compensation effect and was analyzed using the selective energy transfer (SET) model. The SET model suggests that the Pt-H system donates energy to the E2u mode of free benzene, which leads to catalysis. Linear C6 (n-hexane, 2-methylpentane, 3-methylpentane, and 1-hexene) hydrocarbons were also investigated in the presence and absence of excess hydrogen on Pt

  20. Development of a System for the Analysis of Hydrocarbons Different to the Methane in Air

    International Nuclear Information System (INIS)

    Rodriguez Harrison, F. A.

    2001-01-01

    In the air there are more than 3000 organic compounds produced by the natural emissions and anthropoid-genetics. Many of these organic compounds are saturated and unsaturated hydrocarbons; the volcanoes and the plants emit some, while others are emitted for the industrial processes and for the mobile sources. The hydrocarbons play a very important role in the Atmospheric Chemistry, since they take place through their oxidation a series of substances that affect the living beings, they sensitize the human being, producing him illnesses and they contribute to alter the climate of the planet. A sampling method by adsorption about cartridges that contained Tenax, Carbopack B, and molecular sieve, and a system for the analysis of hydrocarbons in the air for thermal desertion and cryogenic concentration was developed with the purpose of identifying and quantifying the hydrocarbons different to the methane present in the winds that travel San Jose Central Valley, Costa Rica. The effect of the ozone in these determinations was studied by taking samples with destroyer of ozone made with iodize of potassium and comparing them with samples taken without the destroyer. The samples were taken simultaneously between April 20 and 29 1999 in 3 sampling stations located in the northwest side of the Volcano Irazu, in Escazu and in Turrucares. There were eleven hydrocarbons being among the most abundant anthropoid-genetics the isooctane (among 34 y 149 μg/m 3 ) and etilbenceno while (among 13 y 231 μg/m 3 ), while the one α-pineno (among 25 y 153 μg/m 3 ), β-pineno (among 60 y 192 μg/m 3 ) y el limoneno (among 34 y 244 μg/m 3 ). It was also found that the ozone didn't affect the concentrations of the unsaturated hydrocarbons in the cartridges, since there were not significant differences in the concentrations of the measured hydrocarbons when the destroyer of ozone was used. (Author) [es

  1. Analysis of ORC (Organic Rankine Cycle) systems with pure hydrocarbons and mixtures of hydrocarbon and retardant for engine waste heat recovery

    International Nuclear Information System (INIS)

    Song, Jian; Gu, Chun-wei

    2015-01-01

    The Organic Rankine Cycle (ORC) has been demonstrated to be a promising technology for the recovery of engine waste heat. Systems with hydrocarbons as the working fluids exhibit good thermal performance. However, the flammability of hydrocarbons limits their practical applications because of safety concerns. This paper examines the potential of using mixtures of a hydrocarbon and a retardant in an ORC system for engine waste heat recovery. Refrigerants R141b and R11 are selected as the retardants and blended with the hydrocarbons to form zeotropic mixtures. The flammability is suppressed, and in addition, zeotropic mixtures provide better temperature matches with the heat source and sink, which reduces the exergy loss within the heat exchange processes, thereby increasing the cycle efficiency. Energetic and exergetic analysis of ORC systems with pure hydrocarbons and with mixtures of a hydrocarbon and a retardant are conducted and compared. The net power output and the second law efficiency are chosen as the evaluation criteria to select the suitable working fluid compositions and to define the optimal set of thermodynamic parameters. The simulation results reveal that the ORC system with cyclohexane/R141b (0.5/0.5) is optimal for this engine waste heat recovery case, thereby increasing the net power output of the system by 13.3% compared to pure cyclohexane. - Highlights: • ORC with zeotropic mixtures for engine waste heat recovery is discussed. • Energetic and exergetic analysis of ORC system are conducted. • Optimal mixture working fluid composition is identified. • Greater utilization of jacket water and lower irreversible loss are important.

  2. A system for transportation of hydrocarbons at sea; System for transport av hydrokarboner til havs

    Energy Technology Data Exchange (ETDEWEB)

    Breivik, K.; Smedal, A.

    1997-04-01

    To exploit the offshore oil and gas fields economically it is important to use suitable methods and equipment for transporting the oil and gas to the landing sites. The present invention concerns a system for transportation of hydrocarbons to the landing sites. It consists of one or more loading buoys and a number of preferably conventional tankers and at least one offshore loading ship arranged to receive hydrocarbons from the loading buoy to which it is connected by means of a coupling device in the ship`s bow. The tankers have in their sterns arrangements to convey the fluid through flexible tubes from complementary arrangements in the bow of the loading ship. The loading ship and the tanker have a position reference system for mutual dynamical positioning. The entire operation of connecting the tubes and transferring the fluid flow takes place with both ships moving, at least at steerage way. The invention aims to provide efficient use of the expensive special ships that are needed to communicate with the loading buoys. Another aim is to reduce the need for expensive specialized equipment onboard both the loading ships and the tankers. 5 figs.

  3. Systems including catalysts in porous zeolite materials within a reactor for use in synthesizing hydrocarbons

    Science.gov (United States)

    Rolllins, Harry W [Idaho Falls, ID; Petkovic, Lucia M [Idaho Falls, ID; Ginosar, Daniel M [Idaho Falls, ID

    2012-07-24

    Catalytic structures include a catalytic material disposed within a zeolite material. The catalytic material may be capable of catalyzing a formation of methanol from carbon monoxide and/or carbon dioxide, and the zeolite material may be capable of catalyzing a formation of hydrocarbon molecules from methanol. The catalytic material may include copper and zinc oxide. The zeolite material may include a first plurality of pores substantially defined by a crystal structure of the zeolite material and a second plurality of pores dispersed throughout the zeolite material. Systems for synthesizing hydrocarbon molecules also include catalytic structures. Methods for synthesizing hydrocarbon molecules include contacting hydrogen and at least one of carbon monoxide and carbon dioxide with such catalytic structures. Catalytic structures are fabricated by forming a zeolite material at least partially around a template structure, removing the template structure, and introducing a catalytic material into the zeolite material.

  4. Downhole fluid injection systems, CO2 sequestration methods, and hydrocarbon material recovery methods

    Science.gov (United States)

    Schaef, Herbert T.; McGrail, B. Peter

    2015-07-28

    Downhole fluid injection systems are provided that can include a first well extending into a geological formation, and a fluid injector assembly located within the well. The fluid injector assembly can be configured to inject a liquid CO2/H2O-emulsion into the surrounding geological formation. CO2 sequestration methods are provided that can include exposing a geological formation to a liquid CO2/H2O-emulsion to sequester at least a portion of the CO2 from the emulsion within the formation. Hydrocarbon material recovery methods are provided that can include exposing a liquid CO2/H2O-emulsion to a geological formation having the hydrocarbon material therein. The methods can include recovering at least a portion of the hydrocarbon material from the formation.

  5. CO₂ and O₂ respiration kinetics in hydrocarbon contaminated soils amended with organic carbon sources used to determine catabolic diversity.

    Science.gov (United States)

    Pietravalle, Stéphane; Aspray, Thomas J

    2013-05-01

    Multiple substrate induced respiration (MSIR) assays which assess the response of soils to carbon source amendment are effective approaches to determine catabolic diversity of soils. Many assays are based on a single short term (hydrocarbon contaminated soils using continuous CO2 and O2 respiration measurements. Based on cumulative CO2 and O2 measurements at 4, 24 and 120 h, the soils were found to be distinct in terms of their catabolic diversity. Most noteworthy, however, was the response to the addition of maleic acid which provided strong evidence of abiotic CO2 efflux to be the overriding process, raising questions about the interpretation of CO2 only responses from organic acid addition in MSIR assays. Copyright © 2013 Elsevier Ltd. All rights reserved.

  6. Kinetic Storage as an Energy Management System

    International Nuclear Information System (INIS)

    Garcia-Tabares, L.

    2007-01-01

    The possibility of storing energy is increasingly important and necessary. The reason is that storage modifies the basic equation of the energy production balance which states that the power produced should equal the power consumed. When there is a storage device in the grid, this equation is modified such that, in the new balance, the energy produced should equal the algebraic sum of the energy consumed and the energy stored (positive in storage phase and negative when released). This means that the generation profile can be uncoupled from the consumption profile, with the resulting improvement of efficiency. Even small-sized storage systems can be very effective. (Author) 10 refs

  7. Calculation of Interfacial Tensions of Hydrocarbon-water Systems under Reservoir Conditions

    DEFF Research Database (Denmark)

    Zuo, You-Xiang; Stenby, Erling Halfdan

    1998-01-01

    Assuming that the number densities of each component in a mixture are linearly distributed across the interface between the coexisting vapor-liquid or liquid-liquid phases, we developed in this research work a linear-gradient-theory (LGT) model for computing the interfacial tension of hydrocarbon......-brine systems. The new model was tested on a number of hydrocarbon-water/brine mixtures and two crude oil-water systems under reservoir conditions. The results show good agreement between the predicted and the experimental interfacial tension data.......Assuming that the number densities of each component in a mixture are linearly distributed across the interface between the coexisting vapor-liquid or liquid-liquid phases, we developed in this research work a linear-gradient-theory (LGT) model for computing the interfacial tension of hydrocarbon-water...... mixtures on the basis of the SRK equation of state. With this model, it is unnecessary to solve the time-consuming density-profile equations of the gradient-theory model. In addition, a correlation was developed for representing the effect of electrolytes on the interfacial tension of hydrocarbon...

  8. Estimation of free-hydrocarbon recovery from dual-pump systems

    International Nuclear Information System (INIS)

    Charbeneau, R.J.

    1995-01-01

    Free-product hydrocarbon which floats on the water table may be recovered using single-pump and dual-pump systems. The factors that affect the long-term free-product recovery using dual-pump systems include the free-product thickness as measured in monitoring wells, the ground-water pumping rate, hydrocarbon density and viscosity, and the soil permeability. This paper presents a simple model for prediction of free-product recovery using dual-pump systems. The model predicts the long-term rather than short-term recovery rates, and lends itself to spreadsheet calculations on microcomputers. A particularly simple form arises for cases where the drawdown is small. An application for estimating recovery from a dual-pump system is presented, and limitations of the model are summarized

  9. Application of Geographic Information System (GIS) to Model the Hydrocarbon Migration: Case Study from North-East Malay Basin, Malaysia

    Science.gov (United States)

    Rudini; Nasir Matori, Abd; Talib, Jasmi Ab; Balogun, Abdul-Lateef

    2018-03-01

    The purpose of this study is to model the migration of hydrocarbon using Geographic Information System (GIS). Understanding hydrocarbon migration is important since it can mean the difference between success and failure in oil and gas exploration project. The hydrocarbon migration modeling using geophysical method is still not accurate due to the limitations of available data. In recent years, GIS has emerged as a powerful tool for subsurface mapping and analysis. Recent studies have been carried out about the abilities of GIS to model hydrocarbon migration. Recent advances in GIS support the establishment and monitoring of prediction hydrocarbon migration. The concept, model, and calculation are based on the current geological situation. The spatial data of hydrocarbon reservoirs is determined by its geometry of lithology and geophysical attributes. Top of Group E horizon of north-east Malay basin was selected as the study area due to the occurrence of hydrocarbon migration. Spatial data and attributes data such as seismic data, wells log data and lithology were acquired and processed. Digital Elevation Model (DEM) was constructed from the selected horizon as a result of seismic interpretation using the Petrel software. Furthermore, DEM was processed in ArcGIS as a base map to shown hydrocarbon migration in north-east Malay Basin. Finally, all the data layers were overlaid to produce a map of hydrocarbon migration. A good data was imported to verify the model is correct.

  10. Application of Geographic Information System (GIS to Model the Hydrocarbon Migration: Case Study from North-East Malay Basin, Malaysia

    Directory of Open Access Journals (Sweden)

    Rudini

    2018-01-01

    Full Text Available The purpose of this study is to model the migration of hydrocarbon using Geographic Information System (GIS. Understanding hydrocarbon migration is important since it can mean the difference between success and failure in oil and gas exploration project. The hydrocarbon migration modeling using geophysical method is still not accurate due to the limitations of available data. In recent years, GIS has emerged as a powerful tool for subsurface mapping and analysis. Recent studies have been carried out about the abilities of GIS to model hydrocarbon migration. Recent advances in GIS support the establishment and monitoring of prediction hydrocarbon migration. The concept, model, and calculation are based on the current geological situation. The spatial data of hydrocarbon reservoirs is determined by its geometry of lithology and geophysical attributes. Top of Group E horizon of north-east Malay basin was selected as the study area due to the occurrence of hydrocarbon migration. Spatial data and attributes data such as seismic data, wells log data and lithology were acquired and processed. Digital Elevation Model (DEM was constructed from the selected horizon as a result of seismic interpretation using the Petrel software. Furthermore, DEM was processed in ArcGIS as a base map to shown hydrocarbon migration in north-east Malay Basin. Finally, all the data layers were overlaid to produce a map of hydrocarbon migration. A good data was imported to verify the model is correct.

  11. Kinetics of the Dynamical Information Shannon Entropy for Complex Systems

    International Nuclear Information System (INIS)

    Yulmetyev, R.M.; Yulmetyeva, D.G.

    1999-01-01

    Kinetic behaviour of dynamical information Shannon entropy is discussed for complex systems: physical systems with non-Markovian property and memory in correlation approximation, and biological and physiological systems with sequences of the Markovian and non-Markovian random noises. For the stochastic processes, a description of the information entropy in terms of normalized time correlation functions is given. The influence and important role of two mutually dependent channels of the entropy change, correlation (creation or generation of correlations) and anti-correlation (decay or annihilation of correlation) is discussed. The method developed here is also used in analysis of the density fluctuations in liquid cesium obtained from slow neutron scattering data, fractal kinetics of the long-range fluctuation in the short-time human memory and chaotic dynamics of R-R intervals of human ECG. (author)

  12. Kinetic Models Study of Hydrogenation of Aromatic Hydrocarbons in Vacuum Gas Oil and Basrah Crude Oil Reaction

    Directory of Open Access Journals (Sweden)

    Muzher M. Ibraheem

    2013-05-01

    Full Text Available             The aim of this research is to study the kinetic reaction models for catalytic hydrogenation of aromatic content for Basrah crude oil (BCO and vacuum gas oil (VGO derived from Kirkuk crude oil which has the boiling point rang of (611-833K.            This work is performed using a hydrodesulphurization (HDS pilot plant unit located in AL-Basil Company. A commercial (HDS catalyst cobalt-molybdenum (Co-Mo supported in alumina (γ-Al2O3 is used in this work. The feed is supplied by North Refinery Company in Baiji. The reaction temperatures range is (600-675 K over liquid hourly space velocity (LHSV range of (0.7-2hr-1 and hydrogen pressure is 3 MPa with H2/oil ratio of 300 of Basrah Crude oil (BCO, while the corresponding conditions for vacuum gas oil (VGO are (583-643 K, (1.5-3.75 hr-1, 3.5 MPa and 250  respectively .            The results showed that the reaction kinetics is of second order for both types of feed. Activation energies are found to be 30.396, 38.479 kJ/mole for Basrah Crude Oil (BCO and Vacuum Gas Oil (VGO respectively.

  13. Split kinetic energy method for quantum systems with competing potentials

    International Nuclear Information System (INIS)

    Mineo, H.; Chao, Sheng D.

    2012-01-01

    For quantum systems with competing potentials, the conventional perturbation theory often yields an asymptotic series and the subsequent numerical outcome becomes uncertain. To tackle such a kind of problems, we develop a general solution scheme based on a new energy dissection idea. Instead of dividing the potential energy into “unperturbed” and “perturbed” terms, a partition of the kinetic energy is performed. By distributing the kinetic energy term in part into each individual potential, the Hamiltonian can be expressed as the sum of the subsystem Hamiltonians with respective competing potentials. The total wavefunction is expanded by using a linear combination of the basis sets of respective subsystem Hamiltonians. We first illustrate the solution procedure using a simple system consisting of a particle under the action of double δ-function potentials. Next, this method is applied to the prototype systems of a charged harmonic oscillator in strong magnetic field and the hydrogen molecule ion. Compared with the usual perturbation approach, this new scheme converges much faster to the exact solutions for both eigenvalues and eigenfunctions. When properly extended, this new solution scheme can be very useful for dealing with strongly coupling quantum systems. - Highlights: ► A new basis set expansion method is proposed. ► Split kinetic energy method is proposed to solve quantum eigenvalue problems. ► Significant improvement has been obtained in converging to exact results. ► Extension of such methods is promising and discussed.

  14. Syn-Rift Systems of East Godavari Sub Basin: Its Evolution and Hydrocarbon Prospectivity

    Science.gov (United States)

    Dash, J., Jr.; Zaman, B.

    2014-12-01

    Krishna Godavari (K.G.) basin is a passive margin basin developed along the Eastern coast of India. This basin has a polyhistoric evolution with multiple rift systems. Rift basin exploration has provided the oil and gas industry with almost one third of discovered global hydrocarbon resources. Understanding synrift sequences, their evolution, depositional styles and hydrocarbon prospectivity has become important with recent discovery of the wells, G-4-6,YS-AF and KG-8 in the K.G. offshore basin. The East Godavari subbasin is a hydrocarbon producing basin from synrift and pre-rift sediments, and hence this was selected as the study area for this research. The study has been carried out by utilizing data of around 58 wells (w1-w58) drilled in the study area 25 of which are hydrocarbon bearing with organic thickness varying from 200 m to 600 m. Age data generated by palaentology and palynology studies have been utilized for calibration of key well logs to differentiate between formations within prerift and synrift sediments. The electrologs of wells like resistivity, gamma ray, neutron, density and sonic logs have been utilized for correlation of different formations in all the drilled wells. The individual thicknesses of sand, shale and coal in the formations have been calculated and tabulated. For Golapalli formation, the isopach and isolith maps were generated which revealed that there were four depocentres with input from the north direction. Schematic geological cross sections were prepared using the well data and seismic data to understand the facies variation across the basin. The sedimentological and petrophysical analysis reports and electro log suites were referred to decipher the environment of deposition, the reservoir characteristics, and play types. The geochemical reports [w4 (Tmax)= 455-468 °C; w1 (Tmax) = 467-514 °C; w4(VRO)= 0.65-0.85; w1(VRO)= 0.83-1.13] revealed the source facies, its maturation and migration timings i.e. the petroleum systems

  15. Biodegradation of polycyclic aromatic hydrocarbons: Using microbial bioelectrochemical systems to overcome an impasse.

    Science.gov (United States)

    Kronenberg, Maria; Trably, Eric; Bernet, Nicolas; Patureau, Dominique

    2017-12-01

    Polycyclic aromatic hydrocarbons (PAHs) are hardly biodegradable carcinogenic organic compounds. Bioremediation is a commonly used method for treating PAH contaminated environments such as soils, sediment, water bodies and wastewater. However, bioremediation has various drawbacks including the low abundance, diversity and activity of indigenous hydrocarbon degrading bacteria, their slow growth rates and especially a limited bioavailability of PAHs in the aqueous phase. Addition of nutrients, electron acceptors or co-substrates to enhance indigenous microbial activity is costly and added chemicals often diffuse away from the target compound, thus pointing out an impasse for the bioremediation of PAHs. A promising solution is the adoption of bioelectrochemical systems. They guarantee a permanent electron supply and withdrawal for microorganisms, thereby circumventing the traditional shortcomings of bioremediation. These systems combine biological treatment with electrochemical oxidation/reduction by supplying an anode and a cathode that serve as an electron exchange facility for the biocatalyst. Here, recent achievements in polycyclic aromatic hydrocarbon removal using bioelectrochemical systems have been reviewed. This also concerns PAH precursors: total petroleum hydrocarbons and diesel. Removal performances of PAH biodegradation in bioelectrochemical systems are discussed, focussing on configurational parameters such as anode and cathode designs as well as environmental parameters like porosity, salinity, adsorption and conductivity of soil and sediment that affect PAH biodegradation in BESs. The still scarcely available information on microbiological aspects of bioelectrochemical PAH removal is summarised here. This comprehensive review offers a better understanding of the parameters that affect the removal of PAHs within bioelectrochemical systems. In addition, future experimental setups are proposed in order to study syntrophic relationships between PAH

  16. Enhanced bioremediation of hydrocarbon-contaminated soil using pilot-scale bioelectrochemical systems

    International Nuclear Information System (INIS)

    Lu, Lu; Yazdi, Hadi; Jin, Song; Zuo, Yi; Fallgren, Paul H.; Ren, Zhiyong Jason

    2014-01-01

    Highlights: • Pilot bioelectrochemical system showed high-performance hydrocarbon remediation. • Radius of influence characterization demonstrated system efficacy. • Current serves as degradation indicator. - Abstract: Two column-type bioelectrochemical system (BES) modules were installed into a 50-L pilot scale reactor packed with diesel-contaminated soils to investigate the enhancement of passive biodegradation of petroleum compounds. By using low cost electrodes such as biochar and graphite granule as non-exhaustible solid-state electron acceptors, the results show that 82.1–89.7% of the total petroleum hydrocarbon (TPH) was degraded after 120 days across 1–34 cm radius of influence (ROI) from the modules. This represents a maximum of 241% increase of biodegradation compared to a baseline control reactor. The current production in the BESs correlated with the TPH removal, reaching the maximum output of 70.4 ± 0.2 mA/m 2 . The maximum ROI of the BES, deducting influence from the baseline natural attenuation, was estimated to be more than 90 cm beyond the edge of the reactor (34 cm), and exceed 300 cm should a non-degradation baseline be used. The ratio of the projected ROI to the radius of BES (ROB) module was 11–12. The results suggest that this BES can serve as an innovative and sustainable technology for enhanced in situ bioremediation of petroleum hydrocarbons in large field scale, with additional benefits of electricity production and being integrated into existing field infrastructures

  17. Enhanced bioremediation of hydrocarbon-contaminated soil using pilot-scale bioelectrochemical systems

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Lu; Yazdi, Hadi [Department of Civil, Environmental, and Architectural Engineering, University of Colorado Boulder, Boulder, CO (United States); Jin, Song [Department of Civil and Architectural Engineering, University of Wyoming, Laramie, WY (United States); Zuo, Yi [Chevron Energy Technology Company, San Ramon, CA (United States); Fallgren, Paul H. [Department of Civil Engineering, University of Colorado Denver, Denver, CO (United States); Ren, Zhiyong Jason, E-mail: jason.ren@colorado.edu [Department of Civil, Environmental, and Architectural Engineering, University of Colorado Boulder, Boulder, CO (United States); Department of Civil Engineering, University of Colorado Denver, Denver, CO (United States)

    2014-06-01

    Highlights: • Pilot bioelectrochemical system showed high-performance hydrocarbon remediation. • Radius of influence characterization demonstrated system efficacy. • Current serves as degradation indicator. - Abstract: Two column-type bioelectrochemical system (BES) modules were installed into a 50-L pilot scale reactor packed with diesel-contaminated soils to investigate the enhancement of passive biodegradation of petroleum compounds. By using low cost electrodes such as biochar and graphite granule as non-exhaustible solid-state electron acceptors, the results show that 82.1–89.7% of the total petroleum hydrocarbon (TPH) was degraded after 120 days across 1–34 cm radius of influence (ROI) from the modules. This represents a maximum of 241% increase of biodegradation compared to a baseline control reactor. The current production in the BESs correlated with the TPH removal, reaching the maximum output of 70.4 ± 0.2 mA/m{sup 2}. The maximum ROI of the BES, deducting influence from the baseline natural attenuation, was estimated to be more than 90 cm beyond the edge of the reactor (34 cm), and exceed 300 cm should a non-degradation baseline be used. The ratio of the projected ROI to the radius of BES (ROB) module was 11–12. The results suggest that this BES can serve as an innovative and sustainable technology for enhanced in situ bioremediation of petroleum hydrocarbons in large field scale, with additional benefits of electricity production and being integrated into existing field infrastructures.

  18. Alternative definitions of kinetic parameters for accelerator driven systems

    International Nuclear Information System (INIS)

    Talamo, Alberto; Gohar, Yousry; Dulla, Sandra; Ravetto, Piero

    2012-01-01

    Highlights: ► New definition of kinetic parameters for accelerator driven systems. ► Difference between effective and average delayed neutron fraction. ► Difference between effective and average prompt neutron lifetime. ► Effect of the neutron source (Cf, D–D, D–T) on k src . ► Effect of the (n, xn) reactions and source energy-angle distribution on k src . - Abstract: This study introduces a new formulation of kinetic parameters for accelerator driven systems and it is structured into two parts. The first part is dedicated to the classic definition of the kinetic parameters and compares different calculation methodologies. The second part considers a new definition of the kinetic parameters for subcritical assemblies, with particular emphasis on the delayed neutron fraction and the prompt neutron lifetime. This new definition takes into account neutrons from the external neutron source and (n, xn) reactions, which increase the fraction of prompt neutrons. The developed theoretical framework has been applied by Monte Carlo and deterministic calculations to the YALINA Thermal subcritical assembly located in Belarus. This facility can be driven by californium, deuterium–deuterium (D–D), or deuterium–tritium (D–T) external neutron sources. For the D–T neutron source, (n, xn) reactions must be taken into account in order to produce accurate results because the average energy of D–T source neutrons is 14.1 MeV, a value which is much higher than the threshold energy of the (n, 2n) cross section of uranium isotopes.

  19. Dispersion, sorption and photodegradation of petroleum hydrocarbons in dispersant-seawater-sediment systems.

    Science.gov (United States)

    Zhao, Xiao; Liu, Wen; Fu, Jie; Cai, Zhengqing; O'Reilly, S E; Zhao, Dongye

    2016-08-15

    This work examined effects of model oil dispersants on dispersion, sorption and photodegradation of petroleum hydrocarbons in simulated marine systems. Three dispersants (Corexit 9500A, Corexit 9527A and SPC 1000) were used to prepare dispersed water accommodated oil (DWAO). While higher doses of dispersants dispersed more n-alkanes and PAHs, Corexit 9500A preferentially dispersed C11-C20 n-alkanes, whereas Corexit 9527A was more favorable for smaller alkanes (C10-C16), and SPC 1000 for C12-C28 n-alkanes. Sorption of petroleum hydrocarbons on sediment was proportional to TPH types/fractions in the DWAOs. Addition of 18mg/L of Corexit 9500A increased sediment uptake of 2-3 ring PAHs, while higher dispersant doses reduced the uptake, due to micelle-enhanced solubilization effects. Both dispersed n-alkanes and PAHs were susceptible to photodegradation under simulated sunlight. For PAHs, both photodegradation and photo-facilitated alkylation were concurrently taking place. The information can facilitate sounder assessment of fate and distribution of dispersed oil hydrocarbons in marine systems. Copyright © 2016 Elsevier Ltd. All rights reserved.

  20. Countercurrent soil washing system for remediation of viscous hydrocarbons, heavy metals, radionuclides

    International Nuclear Information System (INIS)

    Kuhlman, M.I.; Karlsson, M.K.; Downie, C.A.

    1995-01-01

    Drying augers and multicell DAF tanks are excellent machines in which to countercurrently wash soil and remove hazardous hydrocarbons, metals or radionuclides. An auger works well because it preferentially moves soil along one side of its trough. Thus, when enough high pressure and temperature water jets are placed along that path, contaminants can be melted, or dissolved and scoured from the soil. Contaminants and fines flow down the opposite side of the auger and out for extraction in a series of flotation tanks. Countercurrent washing of the silt results when soil settles in tanks through rising water and air bubbles then is pumped through cyclones placed above the next DAF tank of the series. LNAPLs, DNAPLs, or metallic contaminants made hydrophobic by chemicals in the system are removed at the overflow of the cyclones or by flotation in the tanks. The overflow from the cyclones and DAF tanks flows into the previous tank of the series. Examples of contaminants remediated include; arsenic, cadmium, lead and mercury, Naturally Occurring Radioactive Materials (NORM), uranium, solid oils, polyaromatic hydrocarbons in creosote and coal tars, and polychlorinated hydrocarbons

  1. SOLID FUEL OF HYDROCARBON, WOOD AND AGRICULTURAL WASTE FOR LOCAL HEAT SUPPLY SYSTEMS

    Directory of Open Access Journals (Sweden)

    B. M. Khroustalev

    2017-01-01

    Full Text Available In Belarus oil refining and oil producing industries are paid close attention. On the background of the active maintaining the level of oil processing and volume of oil extraction in our country and in the countries of the Eurasian Economic Union there is a steady formation of hydrocarbon-containing waste; therefore recycling of the latter is an urgent task to improve the competitiveness of production. The most cost-effective way of using hydrocarbon waste is the conversion of it into power resources. In this case it is possible to obtain significant power-saving and economic effect of the combined use of a hydrocarbon, wood, agricultural and other combustible waste, meanwhile improving the ecological situation at the sites of waste storage and creating a solid fuel with the necessary energy and specified physical-and-chemical properties. A comprehensive solution of a recycling problem makes it possible to use as energy resources a lot of waste that has not found application in other technologies, to produce alternative multi-component fuel which structure meets environmental and energy requirement for local heating systems. In addition, the implementation of such technology will make it possible to reduce power consumption of enterprises of various kinds that consume fuel and will also increase the share of local fuels in the energy balance of a particular region.

  2. Application of magnetic techniques to lateral hydrocarbon migration - Lower Tertiary reservoir systems, UK North Sea

    Science.gov (United States)

    Badejo, S. A.; Muxworthy, A. R.; Fraser, A.

    2017-12-01

    Pyrolysis experiments show that magnetic minerals can be produced inorganically during oil formation in the `oil-kitchen'. Here we try to identify a magnetic proxy that can be used to trace hydrocarbon migration pathways by determining the morphology, abundance, mineralogy and size of the magnetic minerals present in reservoirs. We address this by examining the Tay formation in the Western Central Graben in the North Sea. The Tertiary sandstones are undeformed and laterally continuous in the form of an east-west trending channel, facilitating long distance updip migration of oil and gas to the west. We have collected 179 samples from 20 oil-stained wells and 15 samples from three dry wells from the British Geological Survey Core Repository. Samples were selected based on geological observations (water-wet sandstone, oil-stained sandstone, siltstones and shale). The magnetic properties of the samples were determined using room-temperature measurements on a Vibrating Sample Magnetometer (VSM), low-temperature (0-300K) measurements on a Magnetic Property Measurement System (MPMS) and high-temperature (300-973K) measurements on a Kappabridge susceptibility meter. We identified magnetite, pyrrhotite, pyrite and siderite in the samples. An increasing presence of ferrimagnetic iron sulphides is noticed along the known hydrocarbon migration pathway. Our initial results suggest mineralogy coupled with changes in grain size are possible proxies for hydrocarbon migration.

  3. Inverse kinetics for subcritical systems with external neutron source

    International Nuclear Information System (INIS)

    Carvalho Gonçalves, Wemerson de; Martinez, Aquilino Senra; Carvalho da Silva, Fernando

    2017-01-01

    Highlights: • It was developed formalism for reactivity calculation. • The importance function is related to the system subcriticality. • The importance function is also related with the value of the external source. • The equations were analyzed for seven different levels of sub criticality. • The results are physically consistent with others formalism discussed in the paper. - Abstract: Nuclear reactor reactivity is one of the most important properties since it is directly related to the reactor control during the power operation. This reactivity is influenced by the neutron behavior in the reactor core. The time-dependent neutrons behavior in response to any change in material composition is important for the reactor operation safety. Transient changes may occur during the reactor startup or shutdown and due to accidental disturbances of the reactor operation. Therefore, it is very important to predict the time-dependent neutron behavior population induced by changes in neutron multiplication. Reactivity determination in subcritical systems driven by an external neutron source can be obtained through the solution of the inverse kinetics equation for subcritical nuclear reactors. The main purpose of this paper is to find the solution of the inverse kinetics equation the main purpose of this paper is to device the inverse kinetics equations for subcritical systems based in a previous paper published by the authors (Gonçalves et al., 2015) and by (Gandini and Salvatores, 2002; Dulla et al., 2006). The solutions of those equations were also obtained. Formulations presented in this paper were tested for seven different values of k eff with external neutrons source constant in time and for a powers ratio varying exponentially over time.

  4. Control technologies for soil vapor extraction at petroleum hydrocarbon impacted sites -- Regulatory challenges to system operations

    International Nuclear Information System (INIS)

    Cacossa, K.F.; Campbell, G.E.; Devine, K.

    1995-01-01

    Soil vapor extraction (SVE) is frequently used to remediate soils impacted by petroleum hydrocarbons. Four technologies have proven to be viable methods to control the off-gas emissions from SVE systems, namely, internal combustion, thermal oxidation, catalytic oxidation, and granular activated carbon adsorption. The optimal range of influent vapor concentrations for system operation differs for each of the technologies. Over the past several years the authors have worked proactively with the state regulatory community to develop general, all inclusive air pollution control permits which allow for the potential use of all four technologies over the life of the permit. Private industry has similarly worked with the state regulators to develop a less labor intensive sampling/monitoring procedure. Actual system performances, which were monitored using summa canisters and field equipment, provided the basis for the new procedure. System performance data indicated that field sampling with portable hydrocarbon analyzers, such as flame ionization detectors (FID), was preferable over the use of summa canister sampling. In addition, to reduce the costs associated with the analysis of samples, the new SVE monitoring protocol also reduced the number of system monitoring visits. These reductions equated into a cost effective, yet environmentally sound SVE system monitoring programs. Finally, the authors have worked with the regulatory community to establish permit limitations which allow operational flexibility

  5. Methodological aspects of fuel performance system analysis at raw hydrocarbon processing plants

    Science.gov (United States)

    Kulbjakina, A. V.; Dolotovskij, I. V.

    2018-01-01

    The article discusses the methodological aspects of fuel performance system analysis at raw hydrocarbon (RH) processing plants. Modern RH processing facilities are the major consumers of energy resources (ER) for their own needs. To reduce ER, including fuel consumption, and to develop rational fuel system structure are complex and relevant scientific tasks that can only be done using system analysis and complex system synthesis. In accordance with the principles of system analysis, the hierarchical structure of the fuel system, the block scheme for the synthesis of the most efficient alternative of the fuel system using mathematical models and the set of performance criteria have been developed on the main stages of the study. The results from the introduction of specific engineering solutions to develop their own energy supply sources for RH processing facilities have been provided.

  6. Thermoeconomic Optimization of Cascade Refrigeration System Using Mixed Carbon Dioxide and Hydrocarbons at Low Temperature Circuit

    Directory of Open Access Journals (Sweden)

    Nasruddin Nasruddin

    2016-12-01

    Full Text Available Many applications and industrial processes require very low cooling temperature, such as cold storage in the biomedical field, requiring temperature below -80 °C. However,single-cycle refrigeration systems can only achieve the effective cooling temperature of -40 °C and, also, the performance of the cycle will decrease drastically for cooling temperatures lower than -35°C. Currently, most of cascade refrigeration systems use refrigerants that have ozone depletion potential (ODP and global warming potential (GWP, therefore, in this study, a cascade system is simulated using a mixture of environmentally friendly refrigerants, namely, carbon dioxide and a hydrocarbon (propane, ethane or ethylene as the refrigerant of the low temperature circuit. A thermodynamic analysis is performed to determine the optimal composition of the mixture of carbon dioxide and hydrocarbons in the scope of certain operating parameters. In addition, an economic analysis was also performed to determine the annual cost to be incurred from the cascade refrigeration system. The multi-objective/thermoeconomic optimization points out optimal operating parameter values of the system, to addressing both exergy efficiency and its relation to the costs to be incurred.

  7. Reactivity and kinetic parameters determination in a multiplicative non-stationary system

    International Nuclear Information System (INIS)

    Minguez, E.

    1982-01-01

    A revision of several methods used for solving kinetic equations of a neutronic system is considered. Firstly, kinetic equations in general form are analized, before to revise more important aproximations: point-kinetic method; adiabatic; cuasistatic; eigenvalue equations; nodal, modal and systhesis methods; and variational principles for obtaining kinetic equations. Perturbation theory is used to obtain these parameters, with differents eigenvalue equations representatives of the parameter to be calculated. Also, experimental methods have been included in this work, because of importance the parameters can be measured, and related with those obtained by calculations. Finally, adjoint kinetic equations are resolved to obtain the importance function used in weighted reactivity and kinetic parameters determinations. (author)

  8. Isotope reversals in hydrocarbon gases of natural shale systems and well head production data

    Energy Technology Data Exchange (ETDEWEB)

    Berner, U.; Schloemer, S.; Stiller, E. [Bundesanstalt fuer Geowissenschaften und Rohstoffe (BGR), Hannover (Germany); Marquardt, D. [Rijksuniversiteit Utrecht (Netherlands)

    2013-08-01

    Relationships between gas geochemical signatures and the thermal maturity of source rocks containing aquatic organic matter are based on on pyrolysis experiments and have been successfully used in conventional hydrocarbon exploration since long. We demonstrate how these models can be applied to the evaluation of unconventional shale resources. For this purpose hydrocarbon gases have been extracted from low and high mature source rocks (type II kerogens) using laboratory desorption techniques. We determined the molecular composition of the gases as well as the carbon isotope ratios of methane to propane. In the extracted gases we observe an increase of {sup 13}C content in methane with increasing dry gas ratio (C1/{Sigma}C1-6). The carbon isotope ratios of ethane and propane initially increase with increasing dryness but start to become isotopically lighter above a dry gas ratio of 0.8. We show that oil-to-gas cracking explains the observed gas geochemical data, and that mixing between gases from different processes is a key factor to describe natural hydrocarbon systems of shales. However, data from published case studies using well head gases which show 'isotope roll-over' effects indicate that the isotopic reversal observed in well head samples deviate from those observed in natural shale systems in a fundamental way. We show that isotope reversals related to well head gases are best explained by an additional isotope fractionation effect induced through hydraulic fracturing and gas migration from the shale to the well head. Although, this induced isotope fractionation is an artifact which obscures isotopic information of natural systems to a large extend, we suggest a simple classification scheme which allows distinguishing between hot and cool spot areas using well head or mud line gas data. (orig.)

  9. Analytical system for stable carbon isotope measurements of low molecular weight (C2-C6 hydrocarbons

    Directory of Open Access Journals (Sweden)

    T. Röckmann

    2011-06-01

    Full Text Available We present setup, testing and initial results from a new automated system for stable carbon isotope ratio measurements on C2 to C6 atmospheric hydrocarbons. The inlet system allows analysis of trace gases from air samples ranging from a few liters for urban samples and samples with high mixing ratios, to many tens of liters for samples from remote unpolluted regions with very low mixing ratios. The centerpiece of the sample preparation is the separation trap, which is used to separate CO2 and methane from the compounds of interest. The main features of the system are (i the capability to sample up to 300 l of air, (ii long term (since May 2009 operational δ13C accuracy levels in the range 0.3–0.8 ‰ (1-σ, and (iii detection limits of order 1.5–2.5 ngC (collected amount of substance for all reported compounds. The first application of this system was the analysis of 21 ambient air samples taken during 48 h in August 2009 in Utrecht, the Netherlands. Results obtained are generally in good agreement with those from similar urban ambient air studies. Short sample intervals allowed by the design of the instrument help to illustrate the complex diurnal behavior of hydrocarbons in an urban environment, where diverse sources, dynamical processes, and chemical reactions are present.

  10. Thermodynamic analysis of hydrocarbon refrigerants-based ethylene BOG re-liquefaction system

    Science.gov (United States)

    Beladjine, Boumedienne M.; Ouadha, Ahmed; Addad, Yacine

    2016-09-01

    The present study aims to make a thermodynamic analysis of an ethylene cascade re-liquefaction system that consists of the following two subsystems: a liquefaction cycle using ethylene as the working fluid and a refrigeration cycle operating with a hydrocarbon refrigerant. The hydrocarbon refrigerants considered are propane (R290), butane (R600), isobutane (R600a), and propylene (R1270). A computer program written in FORTRAN is developed to compute parameters for characteristic points of the cycles and the system's performance, which is determined and analyzed using numerical solutions for the refrigerant condensation temperature, temperature in tank, and temperature difference in the cascade condenser. Results show that R600a gives the best performance, followed by (in order) R600, R290, and R1270. Furthermore, it is found that an increase in tank temperature improves system performance but that an increase in refrigerant condensation temperature causes deterioration. In addition, it is found that running the system at a low temperature difference in the cascade condenser is advantageous.

  11. Mud diaprism and it's effect on the hydrocarbon system in the south Caspian

    International Nuclear Information System (INIS)

    Baganz, O.W.; Ballard, J.H.; Krenov, M.

    2002-01-01

    Full text : Mud diapirism plays a special role in the geology and petroleum system of the south Caspian basin. Hundreads of mud intrusions penetrate the thick Plio-Pleistocene section. This article talks in detail about aspects of the influence of mud diapirs and their related with mud volcanoes on the generation and trapping of hydrocarbons. Some of these aspects are : 1) The influence on the sedimentation; 2) Structural impact; 3) Stress and strain in the surrounded formations; 4) Thermal effect; 5) Pressure effect. All these aspects of the diapiric and mud-volcanic activity should be kept in mind during the volumetric calculations and play evaluation.

  12. The effect of fuel and chlorinated hydrocarbons on a vapor phase carbon adsorption system

    International Nuclear Information System (INIS)

    Crawford, W.J.; Cheney, J.L.; Taggart, D.B.

    1995-01-01

    A soil vapor extraction (SVE) system installed at the South Tacoma Well 12A Superfund Site was designed to recover 1,2-dichloroethylene (DCE), trichloroethylene (TCE), tetrachloroethylene (PCE), and 1,1,2,2-tetrachloroethane (1,1,2,2-TCA) from the vadose zone. The basic system consisted of twenty-two extraction wells, three centrifugal blowers, and three carbon adsorbers. The carbon adsorbers were regenerated on site by steam stripping. The mixture of steam and stripped organics was condensed and then decanted to separate the water from the organic phase. The recovered water was air stripped to remove the dissolved organics prior to discharge to the city storm sewer. The recovered organic phase was then shipped off site for thermal destruction. Previous reports described operating difficulties with the decanter, and air strippers. Sampling and analyses were performed which identified the problem as the simultaneous recovery of unexpected fuel hydrocarbons in addition to the solvents. Recovery of fuels resulted in a light phase in the decanter in addition to the water and heavy solvent phases. This required redesign of the decanter to handle the third phase. The effectiveness of desorption of the carbon beds by steam stripping gradually decreased as the remediation progressed into the second year of operation. Samples were collected from the carbon beds to evaluate the effect of the fuel and chlorinated hydrocarbons on the activated carbon. This report describes the results of these analyses. The data indicated that both 1,1,2,2-TCA and fuel hydrocarbons in the C-9 to C-24 range remained in the carbon beds after steam regeneration in sufficient quantities to require replacing the carbon

  13. 3D CFD Modeling of the LMF System: Desulfurization Kinetics

    Science.gov (United States)

    Cao, Qing; Pitts, April; Zhang, Daojie; Nastac, Laurentiu; Williams, Robert

    A fully transient 3D CFD modeling approach capable of predicting the three phase (gas, slag and steel) fluid flow characteristics and behavior of the slag/steel interface in the argon gas bottom stirred ladle with two off-centered porous plugs (Ladle Metallurgical Furnace or LMF) has been recently developed. The model predicts reasonably well the fluid flow characteristics in the LMF system and the observed size of the slag eyes for both the high-stirring and low-stirring conditions. A desulfurization reaction kinetics model considering metal/slag interface characteristics is developed in conjunction with the CFD modeling approach. The model is applied in this study to determine the effects of processing time, and gas flow rate on the efficiency of desulfurization in the studied LMF system.

  14. Thermodynamic analysis of hydrocarbon refrigerants in a sub-cooling refrigeration system

    Directory of Open Access Journals (Sweden)

    BUKOLA O. BOLAJI

    2013-06-01

    Full Text Available In this study, the performance simulation of some hydrocarbon refrigerants (R290, R600 and R600a as alternatives to R134a in refrigeration system with sub-cooling is conducted by thermodynamic calculation of performance parameters using the REFPROP software. The results obtained showed that the saturated vapour pressure and temperature characteristic profiles for R600 and R600a are very close to that of R134a. The three hydrocarbon refrigerants exhibited very high refrigerating effect and condenser duty than R134a. The best of these parameters was obtained using R600. The discharge temperatures obtained using R600 and R600a were low, while that of R290 was very much higher. The highest coefficient of performance (COP and relative capacity index were obtained using R600. Average COPs of R600 and R600a are 4.6 and 2.2% higher than that of R134a, respectively. The performances of R600 and R600a in system were better than those of R134a and R290. The best performance was obtained using R600 in the system.

  15. Method of preparing and utilizing a catalyst system for an oxidation process on a gaseous hydrocarbon stream

    Science.gov (United States)

    Berry, David A; Shekhawat, Dushyant; Smith, Mark; Haynes, Daniel

    2013-07-16

    The disclosure relates to a method of utilizing a catalyst system for an oxidation process on a gaseous hydrocarbon stream with a mitigation of carbon accumulation. The system is comprised of a catalytically active phase deposited onto an oxygen conducting phase, with or without supplemental support. The catalytically active phase has a specified crystal structure where at least one catalytically active metal is a cation within the crystal structure and coordinated with oxygen atoms within the crystal structure. The catalyst system employs an optimum coverage ratio for a given set of oxidation conditions, based on a specified hydrocarbon conversion and a carbon deposition limit. Specific embodiments of the catalyst system are disclosed.

  16. Aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Roder, M.

    1985-01-01

    Papers dealing with radiolysis of aromatic hydrocarbons of different composition (from benzene to terphenyls and hydrocarbons with condensed rings) as well as their mixtures (with alkanes, alkenes, other aromatic hydrocarbons) are reviewed. High radiation stability of aromatic hydrocarbons in condensed phases associated with peculiarities of molecular structure of compounds is underlined. Mechanisms of radiolytic processes, vaues of product yields are considered

  17. Mechanistic model for microbial growth on hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Mallee, F M; Blanch, H W

    1977-12-01

    Based on available information describing the transport and consumption of insoluble alkanes, a mechanistic model is proposed for microbial growth on hydrocarbons. The model describes the atypical growth kinetics observed, and has implications in the design of large scale equipment for single cell protein (SCP) manufacture from hydrocarbons. The model presents a framework for comparison of the previously published experimental kinetic data.

  18. Mass independent kinetic energy reducing inlet system for vacuum environment

    Science.gov (United States)

    Reilly, Peter T. A. [Knoxville, TN

    2010-12-14

    A particle inlet system comprises a first chamber having a limiting orifice for an incoming gas stream and a micrometer controlled expansion slit. Lateral components of the momentum of the particles are substantially cancelled due to symmetry of the configuration once the laminar flow converges at the expansion slit. The particles and flow into a second chamber, which is maintained at a lower pressure than the first chamber, and then moves into a third chamber including multipole guides for electromagnetically confining the particle. The vertical momentum of the particles descending through the center of the third chamber is minimized as an upward stream of gases reduces the downward momentum of the particles. The translational kinetic energy of the particles is near-zero irrespective of the mass of the particles at an exit opening of the third chamber, which may be advantageously employed to provide enhanced mass resolution in mass spectrometry.

  19. Kinetic and economic considerations of biogas production systems

    Energy Technology Data Exchange (ETDEWEB)

    Bala, B K; Satter, M A [Bangladesh Agricultural Univ., Mymensingh (BD). Dept. of Farm Power and Machinery

    1990-01-01

    In this paper, the kinetics and economics of substrate degradation and biogas production are discussed. Mass balance on substrate, with either the Contois or Adams-Eckenfelder models, is used to design the mathematical models of volatile solids reduction and biogas fermentation. The predictions of both the models are found to be in close agreement with the observed values reported. A computer model based on a system dynamics approach is used to model the economics of biogas production by anaerobic digestion from cattle slurry available from typical rural families in Bangladesh. This model incorporates the Adams-Eckenfelder model to determine the amount of gas production and the technique described by Audsley and Wheeler to take into account the effects of price, interest, and inflation. The effects of changes of these parameters on the net profit or loss from the process are also considered. (author).

  20. Geophysical Monitoring of Hydrocarbon-Contaminated Soils Remediated with a Bioelectrochemical System.

    Science.gov (United States)

    Mao, Deqiang; Lu, Lu; Revil, André; Zuo, Yi; Hinton, John; Ren, Zhiyong Jason

    2016-08-02

    Efficient noninvasive techniques are desired for monitoring the remediation process of contaminated soils. We applied the direct current resistivity technique to image conductivity changes in sandbox experiments where two sandy and clayey soils were initially contaminated with diesel hydrocarbon. The experiments were conducted over a 230 day period. The removal of hydrocarbon was enhanced by a bioelectrochemical system (BES) and the electrical potentials of the BES reactors were also monitored during the course of the experiment. We found that the variation in electrical conductivity shown in the tomograms correlate well with diesel removal from the sandy soil, but this is not the case with the clayey soil. The clayey soil is characterized by a larger specific surface area and therefore a larger surface conductivity. In sandy soil, the removal of the diesel and products from degradation leads to an increase in electrical conductivity during the first 69 days. This is expected since diesel is electrically insulating. For both soils, the activity of BES reactors is moderately imaged by the inverted conductivity tomogram of the reactor. An increase in current production by electrochemically active bacteria activity corresponds to an increase in conductivity of the reactor.

  1. Enhanced bioremediation of hydrocarbon-contaminated soil using pilot-scale bioelectrochemical systems.

    Science.gov (United States)

    Lu, Lu; Yazdi, Hadi; Jin, Song; Zuo, Yi; Fallgren, Paul H; Ren, Zhiyong Jason

    2014-06-15

    Two column-type bioelectrochemical system (BES) modules were installed into a 50-L pilot scale reactor packed with diesel-contaminated soils to investigate the enhancement of passive biodegradation of petroleum compounds. By using low cost electrodes such as biochar and graphite granule as non-exhaustible solid-state electron acceptors, the results show that 82.1-89.7% of the total petroleum hydrocarbon (TPH) was degraded after 120 days across 1-34 cm radius of influence (ROI) from the modules. This represents a maximum of 241% increase of biodegradation compared to a baseline control reactor. The current production in the BESs correlated with the TPH removal, reaching the maximum output of 70.4 ± 0.2 mA/m(2). The maximum ROI of the BES, deducting influence from the baseline natural attenuation, was estimated to be more than 90 cm beyond the edge of the reactor (34 cm), and exceed 300 cm should a non-degradation baseline be used. The ratio of the projected ROI to the radius of BES (ROB) module was 11-12. The results suggest that this BES can serve as an innovative and sustainable technology for enhanced in situ bioremediation of petroleum hydrocarbons in large field scale, with additional benefits of electricity production and being integrated into existing field infrastructures. Copyright © 2014 Elsevier B.V. All rights reserved.

  2. Expert system for the reliability assessment of hydro-carbon transporting pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Lukacs, J.; Nagy, G.; Toeroek, I. [Department of Mechanical Technology, University of Miskolc, Miskolc-Egyetemvaros (Hungary)

    1998-12-31

    Safety operation, condition monitoring, periodical inspection and rehabilitation of high-pressure hydro-carbon transporting pipelines are a complex problem. To answer arising questions is inconceivable without technical-critical evaluation of defects - originated during manufacturing or operation - can be found on the pipeline. This evaluation must be in line with requirements of our age, i.e. it has to assert such concept of which basis is not the `possible worst` but the `just happening wrong`. Solving these problems without application of computer resources is inconceivable in our time. The final purpose of the solution is the expert system and among the components of the expert system primarily the development of the knowledge base is needed. The paper demonstrates a possible structure of the knowledge base, furthermore its fundamental elements and their contents (defect types, evaluation possibilities of defects, categorisation of pipelines) and summaries the prospective advantages of its application. (orig.) 27 refs.

  3. Reaction kinetics and reaction heat on thermal decomposition of solvent containing unstable reactive hydrocarbons with nitric acid at Tomsk-7 reprocessing plant

    International Nuclear Information System (INIS)

    Nishio, Gunji; Watanabe, Kouji; Koike, Tadao; Miyato, Teijiro.

    1996-12-01

    For analyzing a cause of the Tomsk-7 accident at Russian reprocessing plant, it is necessary to determine reaction-rate constant and reaction heat for a thermal decomposition of TBP/kerosine containing unstable reactive hydrocarbons with nitric acid. In JAERI, the rate constant and reaction heat were obtained from data measured with a differential thermal analyzer (DTA) for unstable hydrocarbons such as n-butanol, n-butyl nitrate, aromatic hydrocarbons, and cyclic compounds. The safety evaluation of Tomsk tank ruptured by the reaction was carried out by heat balance calculations between heat generation and heat loss in the tank using these rate constants and reaction heats. Consequently, it is clear that the cause of the tank rupture would be due to an exothermic reaction of aromatic hydrocarbons in kerosine made by petroleum with the concentrated nitric acid of 14.2N. (author)

  4. The Data Acquisition System for a Kinetic Inductance Detector

    International Nuclear Information System (INIS)

    Branchini, P; Budano, A; Capasso, L; Marchetti, D

    2015-01-01

    The Data Acquisition System (DAQ) and the Front-End electronics for an array of Kinetic Inductance Detectors (KIDs) are described. KIDs are superconductive detectors, in which electrons are organized in Cooper pairs. Any incident radiation could break a pair generating a couple of quasi-particles that increase the inductance of the detector. The DAQ system we developed is a hardware/software co-design, based on state machines and on a microprocessor embedded into an FPGA. A commercial DAC/ADC board is used to interface the FPGA to the array of KIDs. The DAQ system generates a Stimulus signal suitable for an array of up to 128 KIDs. Such signal is up-mixed with a 3 GHz carrier wave and it then excites the KIDs array. The read-out signal from the detector is down-mixed with respect to the 3 GHz sine wave and recovered Stimulus is read back by the ADC device. The microprocessor stores read out data via a PCI express bus (PCIe) into an external disk. It also computes the Fast Fourier Transform of the acquired read out signal: this allows extrapolating which KID interacted and the energy of the impinging radiation. Simulations and tests have been performed successfully and experimental results are presented. (paper)

  5. Ecopiling: A combined Phytoremediation and Passive Biopiling System for Remediating Hydrocarbon Impacted Soils at Field Scale

    Directory of Open Access Journals (Sweden)

    Kieran J Germaine

    2015-01-01

    Full Text Available Biopiling is an ex situ bioremediation technology that has been extensively used for remediating a wide range of petrochemical contaminants in soils. Biopiling involves the assembling of contaminated soils into piles and stimulating the biodegrading activity of microbial populations by creating near optimum growth conditions. Phytoremediation is another very successful bioremediation technique and involves the use of plants and their associated microbiomes to degrade, sequester or bio-accumulate pollutants from contaminated soil and water. The objective of this study was to investigate the effectiveness of a combined phytoremediation/biopiling system, termed Ecopiling, to remediate hydrocarbon impacted industrial soil. The large scale project was carried out on a sandy loam, petroleum impacted soil (1613 mg Total Petroleum Hydrocarbons (TPH kg-1 soil. The contaminated soil was amended with chemical fertilisers, inoculated with TPH degrading bacterial consortia and then used to construct passive biopiles. Finally, a phyto-cap of perennial rye grass (Lolium multiflorum and white clover (Trifolium repens was sown on the soil surface to complete the Ecopile. Monitoring of important physico-chemical parameters was carried out at regular intervals throughout the trial. Two years after construction the TPH levels in the petroleum impacted Ecopiles were below detectable limits in all but 1 subsample (152mg TPH kg-1 soil. The Ecopile system is a multi-factorial bioremediation process involving bio-stimulation, bio-augmentation and phytoremediation. One of the key advantages to this system is the reduced costs of the remediation process, as once constructed, there is little additional cost in terms of labour and maintenance (although the longer process time may incur additional monitoring costs. The other major advantage is that many ecological functions are rapidly restored to the site and the process is aesthetically pleasing.

  6. Ecopiling: a combined phytoremediation and passive biopiling system for remediating hydrocarbon impacted soils at field scale.

    Science.gov (United States)

    Germaine, Kieran J; Byrne, John; Liu, Xuemei; Keohane, Jer; Culhane, John; Lally, Richard D; Kiwanuka, Samuel; Ryan, David; Dowling, David N

    2014-01-01

    Biopiling is an ex situ bioremediation technology that has been extensively used for remediating a wide range of petrochemical contaminants in soils. Biopiling involves the assembling of contaminated soils into piles and stimulating the biodegrading activity of microbial populations by creating near optimum growth conditions. Phytoremediation is another very successful bioremediation technique and involves the use of plants and their associated microbiomes to degrade, sequester or bio-accumulate pollutants from contaminated soil and water. The objective of this study was to investigate the effectiveness of a combined phytoremediation/biopiling system, termed Ecopiling, to remediate hydrocarbon impacted industrial soil. The large scale project was carried out on a sandy loam, petroleum impacted soil [1613 mg total petroleum hydrocarbons (TPHs) kg(-1) soil]. The contaminated soil was amended with chemical fertilizers, inoculated with TPH degrading bacterial consortia and then used to construct passive biopiles. Finally, a phyto-cap of perennial rye grass (Lolium perenne) and white clover (Trifolium repens) was sown on the soil surface to complete the Ecopile. Monitoring of important physico-chemical parameters was carried out at regular intervals throughout the trial. Two years after construction the TPH levels in the petroleum impacted Ecopiles were below detectable limits in all but one subsample (152 mg TPH kg(-1) soil). The Ecopile system is a multi-factorial bioremediation process involving bio-stimulation, bio-augmentation and phytoremediation. One of the key advantages to this system is the reduced costs of the remediation process, as once constructed, there is little additional cost in terms of labor and maintenance (although the longer process time may incur additional monitoring costs). The other major advantage is that many ecological functions are rapidly restored to the site and the process is esthetically pleasing.

  7. Systems and methods for optically measuring properties of hydrocarbon fuel gases

    Science.gov (United States)

    Adler-Golden, Steven; Bernstein, Lawrence S.; Bien, Fritz; Gersh, Michael E.; Goldstein, Neil

    1998-10-13

    A system and method for optical interrogation and measurement of a hydrocarbon fuel gas includes a light source generating light at near-visible wavelengths. A cell containing the gas is optically coupled to the light source which is in turn partially transmitted by the sample. A spectrometer disperses the transmitted light and captures an image thereof. The image is captured by a low-cost silicon-based two-dimensional CCD array. The captured spectral image is processed by electronics for determining energy or BTU content and composition of the gas. The innovative optical approach provides a relatively inexpensive, durable, maintenance-free sensor and method which is reliable in the field and relatively simple to calibrate. In view of the above, accurate monitoring is possible at a plurality of locations along the distribution chain leading to more efficient distribution.

  8. Thermodynamic and kinetic analysis of heterogeneous photocatalysis for semiconductor systems.

    Science.gov (United States)

    Liu, Baoshun; Zhao, Xiujian; Terashima, Chiaki; Fujishima, Akira; Nakata, Kazuya

    2014-05-21

    Since the report of the Honda-Fujishima effect, heterogeneous photocatalysis has attracted much attention around the world because of its potential energy and environmental applications. Although great progresses have been made in recent years, most were focused on preparing highly-active photocatalysts and investigating visible light utilization. In fact, we are still unclear on the thermodynamic and kinetic nature of photocatalysis to date, which sometimes leads to misunderstandings for experimental results. It is timely to give a review and discussion on the thermodynamics and kinetics of photocatalysis, so as to direct future researches. However, there is an absence of a detailed review on this topic until now. In this article, we tried to review and discuss the thermodynamics and kinetics of photocatalysis. We explained the thermodynamic driving force of photocatalysis, and distinguished the functions of light and heat in photocatalysis. The Langmuir-Hinshelwood kinetic model, the ˙OH oxidation mechanism, and the direct-indirect (D-I) kinetic model were reviewed and compared. Some applications of the D-I model to study photocatalytic kinetics were also discussed. The electron transport mode and its importance in photocatalysis were investigated. Finally, the intrinsic relation between the kinetics and the thermodynamics of photocatalytic reactions was discussed.

  9. Reduction of hydrocarbon impurities in 200 L/H helium liquefier-refrigerator system

    International Nuclear Information System (INIS)

    Yamada, Shuichi; Mito, Toshiyuki; Nishimura, Arata

    1993-11-01

    A cryogenic system with the capacity of 200 1/h or 500 W at 4.4 K has been operated to develop the superconducting conductors and coils for the LHD. The system has contributed in various superconducting technologies along with the dc 75kA power supply and 10 MN mechanical testing machine, and completed the basic R and D works of the LHD. On the way of operating the cryogenic system, impurity densities of hydrocarbon gases in circulating helium gas became much larger than the expected values for this cryogenic system, so that the densities of some impurity gases were carefully monitored in reference to the operational conditions of circulating compressor by using a gas chromatography. Impurity gas densities of oxygen, nitrogen and ethane increased obviously, when the output capacity of the compressor was reduced. In a two-stage oil injected compression system with a variable stroke mechanism for a first stage, a reduction in the capacity of the first stage leads to a larger compression ratio for the second stage, and the temperature of the injected oil becomes higher. The production of the impurities in the helium might be caused by cracking a part of injected oil in the compressor. The compressor, therefore, was reconstructed such that the injection oil is supplied sufficiently and the compression ratio division becomes even for each stage. It was confirmed that the impurities are not produced now after modification. (author)

  10. Dynamic Viscosity and Compensation Effect in Hydrocarbon Media with a High Content of Resins and Paraffins

    Science.gov (United States)

    Boitsova, A. A.; Kondrasheva, N. K.; Dolomatov, M. Yu.

    2017-11-01

    Linear dependences have been obtained for multicomponent hydrocarbon media (oils and high-boiling fractions), which relate the preexponent and the activation energy of viscous flow in the Arrhenius equation. A distinctive feature of the established kinetic compensation effect is it existing before and after the phase-transition temperature. The obtained results have been confirmed by statistical data and make it possible to predict the dynamic viscosity of multicomponent hydrocarbon systems, such as oil and high-boiling fractions.

  11. Enhanced removal of petroleum hydrocarbons using a bioelectrochemical remediation system with pre-cultured anodes

    International Nuclear Information System (INIS)

    Venkidusamy, Krishnaveni; Megharaj, Mallavarapu; Marzorati, Massimo; Lockington, Robin; Naidu, Ravi

    2016-01-01

    Bioelectrochemical remediation (BER) systems such as microbial fuel cells (MFCs) have recently emerged as a green technology for the effective remediation of petroleum hydrocarbon contaminants (PH) coupled with simultaneous energy recovery. Recent research has shown that biofilms previously enriched for substrate degrading bacteria resulted in excellent performance in terms of substrate removal and electricity generation but the effects on hydrocarbon contaminant degradation were not examined. Here we investigate the differences between enriched biofilm anodes and freshly inoculated new anodes in diesel fed single chamber mediatorless microbial fuel cells (DMFC) using various techniques for the enhancement of PH contaminant remediation with concomitant electricity generation. An anodophilic microbial consortium previously selected for over a year through continuous culturing with a diesel concentration of about 800 mg l"−"1 and which now showed complete removal of this concentration of diesel within 30 days was compared to that of a freshly inoculated new anode MFC (showing 83.4% removal of diesel) with a simultaneous power generation of 90.81 mW/m"2 and 15.04 mW/m"2 respectively. The behaviour of pre-cultured anodes at a higher concentration of PH (8000 mg l"−"1) was also investigated. Scanning electron microscopy observation revealed a thick biofilm covering the pre-cultured anodic electrode but not the anode from the freshly inoculated MFC. High resolution imaging showed the presence of thin 60 nm diametre pilus-like projections emanating from the cells. Anodic microbial community profiling confirmed that the selection for diesel degrading exoelectrogenic bacteria had occurred. Identification of a biodegradative gene (alkB) provided strong evidence of the catabolic pathway used for diesel degradation in the DMFCs.

  12. Enhanced removal of petroleum hydrocarbons using a bioelectrochemical remediation system with pre-cultured anodes

    Energy Technology Data Exchange (ETDEWEB)

    Venkidusamy, Krishnaveni [Centre for Environmental Risk Assessment and Remediation (CERAR), University of South (Australia); CRC for Contamination Assessment and Remediation of the Environment (CRCCARE), Mawson Lakes, SA5095 (Australia); Megharaj, Mallavarapu, E-mail: megh.mallavarapu@newcastle.edu.au [Centre for Environmental Risk Assessment and Remediation (CERAR), University of South (Australia); CRC for Contamination Assessment and Remediation of the Environment (CRCCARE), Mawson Lakes, SA5095 (Australia); Global Centre for Environmental Remediation, Faculty of Science and Information Technology, The University of Newcastle, Callaghan, NSW 2308 (Australia); Marzorati, Massimo [Laboratory for Microbial Ecology and Technology (LabMET), Gent University, 9000 Gent (Belgium); Lockington, Robin [Centre for Environmental Risk Assessment and Remediation (CERAR), University of South (Australia); CRC for Contamination Assessment and Remediation of the Environment (CRCCARE), Mawson Lakes, SA5095 (Australia); Naidu, Ravi [Centre for Environmental Risk Assessment and Remediation (CERAR), University of South (Australia); CRC for Contamination Assessment and Remediation of the Environment (CRCCARE), Mawson Lakes, SA5095 (Australia); Global Centre for Environmental Remediation, Faculty of Science and Information Technology, The University of Newcastle, Callaghan, NSW 2308 (Australia)

    2016-01-01

    Bioelectrochemical remediation (BER) systems such as microbial fuel cells (MFCs) have recently emerged as a green technology for the effective remediation of petroleum hydrocarbon contaminants (PH) coupled with simultaneous energy recovery. Recent research has shown that biofilms previously enriched for substrate degrading bacteria resulted in excellent performance in terms of substrate removal and electricity generation but the effects on hydrocarbon contaminant degradation were not examined. Here we investigate the differences between enriched biofilm anodes and freshly inoculated new anodes in diesel fed single chamber mediatorless microbial fuel cells (DMFC) using various techniques for the enhancement of PH contaminant remediation with concomitant electricity generation. An anodophilic microbial consortium previously selected for over a year through continuous culturing with a diesel concentration of about 800 mg l{sup −1} and which now showed complete removal of this concentration of diesel within 30 days was compared to that of a freshly inoculated new anode MFC (showing 83.4% removal of diesel) with a simultaneous power generation of 90.81 mW/m{sup 2} and 15.04 mW/m{sup 2} respectively. The behaviour of pre-cultured anodes at a higher concentration of PH (8000 mg l{sup −1}) was also investigated. Scanning electron microscopy observation revealed a thick biofilm covering the pre-cultured anodic electrode but not the anode from the freshly inoculated MFC. High resolution imaging showed the presence of thin 60 nm diametre pilus-like projections emanating from the cells. Anodic microbial community profiling confirmed that the selection for diesel degrading exoelectrogenic bacteria had occurred. Identification of a biodegradative gene (alkB) provided strong evidence of the catabolic pathway used for diesel degradation in the DMFCs.

  13. Non-methane hydrocarbons in a controlled ecological life support system.

    Science.gov (United States)

    Dai, Kun; Yu, Qingni; Zhang, Zhou; Wang, Yuan; Wang, Xinming

    2018-02-01

    Non-methane hydrocarbons (NMHCs) are vital to people's health and plants' growth, especially inside a controlled ecological life support system (CELSS) built for long-term space explorations. In this study, we measured 54 kinds of NMHCs to study their changing trends in concentration levels during a 4-person-180-day integrated experiment inside a CELSS with four cabins for plants growing and other two cabins for human daily activities and resources management. During the experiment, the total mixing ratio of measured NMHCs was 423 ± 283 ppbv at the first day and it approached 2961 ± 323 ppbv ultimately. Ethane and propane were the most abundant alkanes and their mixing ratios kept growing from 27.5 ± 19.4 and 31.0 ± 33.6 ppbv to 2423 ± 449 ppbv and 290 ± 10 ppbv in the end. For alkenes, ethylene and isoprene presented continuously fluctuating states during the experimental period with average mixing ratios of 30.4 ± 19.3 ppbv, 7.4 ± 5.8 ppbv. For aromatic hydrocarbons, the total mixing ratios of benzene, toluene, ethylbenzene and xylenes declined from 48.0 ± 44 ppbv initially to 3.8 ± 1.1 ppbv ultimately. Biomass burning, sewage treatment, construction materials and plants all contributed to NMHCs inside CELSS. In conclusion, the results demonstrate the changing trends of NMHCs in a long-term closed ecological environment's atmosphere which provides valuable information for both the atmosphere management of CELSS and the exploration of interactions between humans and the total environment. Copyright © 2017 Elsevier Ltd. All rights reserved.

  14. Reduction of hydrocarbon impurities in 200 l/h helium liquefier-refrigerator system

    Science.gov (United States)

    Yamada, Shuichi; Mito, Toshiyuki; Nishimura, Arata; Takahata, Kazuya; Satoh, Sadao; Yamamoto, Junya; Yamamura, Hidemasa; Masuda, Kaoru; Kashihara, Shinichirou; Fukusada, Katsuaki

    1993-11-01

    A cryogenic system with the capacity of 200 l/h or 500 W at 4.4 K was developed in order to supply the superconducting conductors and coils of the LHD. As a by-product of operating the cryogenic system, the impurity densities of hydrocarbon gases in the circulating helium gas became much larger than the expected values for this cryogenic system. So much larger in fact, that it became necessary to carefully monitor the operational conditions of the circulating compressor by means of gas chromatography. Impurity gas densities of oxygen, nitrogen, and ethane increased significantly when the output capacity of the compressor was reduced. In a two-stage oil injected compression system, with a variable stroke mechanism for a first stage, a reduction in the capacity of the first stage leads to a larger compression ratio for the second stage, and the temperature of the injected oil becomes higher. The production of the impurities in the helium might be caused by decomposition of the injected oil in the compressor. The compressor, therefore, was reconstructed such that the injection oil is supplied sufficiently, and the compression ratio division becomes even for each stage. It was confirmed that the impurities were not produced after the modification.

  15. Enzymes or redox couples? The kinetics of thioredoxin and glutaredoxin reactions in a systems biology context

    NARCIS (Netherlands)

    Pillay, Ché S.; Hofmeyr, Jan Hendrik S; Olivier, Brett G.; Snoep, Jacky L.; Rohwer, Johann M.

    2009-01-01

    Systems biology approaches, such as kinetic modelling, could provide valuable insights into how thioredoxins, glutaredoxins and peroxiredoxins (here collectively called redoxins), and the systems that reduce these molecules are regulated. However, it is not clear whether redoxins should be described

  16. Evaluating the utility of hydrocarbons for Re-Os geochronology : establishing the timing of processes in petroleum ore systems

    Energy Technology Data Exchange (ETDEWEB)

    Selby, D.; Creaser, R.A. [Alberta Univ., Edmonton, AB (Canada). Dept. of Earth and Atmospheric Sciences

    2005-07-01

    Oil from 6 Alberta oil sands deposits were analyzed with a rhenium-osmium (Re-Os) isotope chronometer, an emerging tool for determining valuable age information on the timing of petroleum generation and migration. The tool uses molybdenite and other sulphide minerals to establish the timing and duration of mineralization. However, establishing the timing events of petroleum systems can be problematic because viable sulphides for the Re-Os chronometer are often not available. Therefore, the known presence of Re and Os associated with organic matter in black shale, a common source of hydrocarbons, may suggest that bitumen and petroleum common to petroleum systems may be utilised for Re-Os geochronology. This study evaluated the potential of the Re-Os isotopic system for geochronology and as an isotopic tracer for hydrocarbon systems. The evaluation was based on Re-Os isotopic analyses of bitumen and oil sands. Hydrocarbons formed from migrated oil in both Alberta oil sand deposits and a Paleozoic Mississippi Valley-type lead-zinc deposit contain significant Re and Os contents with high {sup 187}Re/{sup 188}Os and radiogenic {sup 187}Os/{sup 188}Os ratios suitable for geochronology. The oil from the 6 Alberta oil sand deposits yields Re-Os analyses with very high Re/{sup 188}Os ratios, and radiogenic Os isotopic compositions. Regression of the Re-Os data yields a date of 116 {+-} 27 Ma. This date plausibly represents the period of in situ radiogenic growth of {sup 187}Os following hydrocarbon migration and reservoir filling. Therefore, directly dating these processes, and this formation age corresponds with recent burial history models for parts of the Western Canada Sedimentary Basin. The very high initial {sup 187}Os/{sup 188}Os for this regression requires rocks much older than Cretaceous for the hydrocarbon source.

  17. Morrowan stratigraphy, depositional systems, and hydrocarbon accumulation, Sorrento field, Cheyenne County, Colorado

    Energy Technology Data Exchange (ETDEWEB)

    Orchard, D.M.; Kidwell, M.R.

    1983-08-01

    The Sorrento field, located on the western flank of the present-day Las Animas arch in western Cheyenne County, Colorado, has approximately 29 million bbl of oil and 12 bcf of gas in place in sandstones of the Lower Pennsylvanian Morrow units. The sandstones were deposited in a fluvially dominated deltaic system, and the trap for the hydrocarbon accumulation is formed by pinch-out of this deltaic system onto regional dip. The primary reservoirs are point-bar deposits. At the Sorrento field, the basal Keyes limestone member of the Morrow formation rests unconformably on the Mississippian St. Louis Formation. Above the Keyes limestone, the Morrow shale is 180 to 214 ft (55 to 65 m) thick, and locally contains reservoir sands. Gas/oil and oil/water contacts are not uniform through the field owing to discontinuities between separate point bars. One such discontinuity is formed by an apparent mud plug of an abandoned channel separating two point bars on the southeastern end of the field. In a well 7000 ft (2100 m) from the edge of the meander belt, the regressive sequence is represented by a shoreline siltstone unit 8 ft (2 m) thick with flaser bedding, graded bedding, load structures, and rare wave-ripple cross-bedding overlain by 3 ft (1 m) of flood-plain mudstone and coal with no indication of proximity to a nearby sand system.

  18. Gamma irradiation of hydrocarbon-liquid nitrogen systems and the synthesis of ammonia

    International Nuclear Information System (INIS)

    Fleming, H.L.

    1982-01-01

    The 60 Co-gamma radiolysis of hydrocarbons (HC)-liquid N 2 mixtures at 77 0 K and 1.8 atm of pressure was investigated. Batch irradiation studies of methane, ethane, and ethylene and semibatch studies of methane were made in the presence and absence of transition metal oxide catalysts. In noncatalyzed systems, the effects of varying the radiation dose, total dose, solute feed rate and concentration and liquid N 2 volume were investigated. NH 3 was found to be the major N-containing product in the alkane solute system. N 2 and HC radical addition was found to be the predominate initial reaction for nitrogeneous product formation. Results of scavenger studies indicate that excited N 2 played a lesser role in precursor formation. All product yields were found to be dependent upon the H-containing species availability in the liquid N 2 solution. Production rates were limited by HC solubility. The use of the transition metal oxide supported catalyst greatly increased product formation in all systems. Product yields were found to be dependent upon the available catalyst surface area, metal loading, and reduction techniques for each metal examined. As evidenced by the radiation lag time studies, the stability of the N 2 precursors on the catalyst surface was believed to be a significant factor in reaction enhancement. Energy transfer from the catalyst to the absorbates was examined and could not be ruled out

  19. The effects of polycyclic aromatic hydrocarbons on the immune system of fish: A review

    International Nuclear Information System (INIS)

    Reynaud, S.; Deschaux, P.

    2006-01-01

    Polycyclic aromatic hydrocarbons are an important class of environmental pollutants that are known to be carcinogenic and immunotoxic. This review summarizes the diverse literature on the effects of these pollutants on innate and acquired immunity in fish and the mechanism of PAH-induced immunotoxicity. Among innate immune parameters, many authors have focused on macrophage activities in fish exposed to polycyclic aromatic hydrocarbons. Macrophage respiratory burst appears especially sensitive to polycyclic aromatic hydrocarbons. Among acquired immune parameters, lymphocyte proliferation appears highly sensitive to polycyclic aromatic hydrocarbon exposure. However, the effects of polycyclic aromatic hydrocarbons on both specific and non-specific immunity are contradictory and depend on the mode of exposure, the dose used or the species studied. In contrast to mammals, fewer studies have been done in fish to determine the mechanism of polycyclic aromatic hydrocarbon-induced toxicity. This phenomenon seems to implicate different intracellular mechanisms such as metabolism by cytochrome P4501A, binding to the Ah-receptor, or increased intracellular calcium. Advances in basic knowledge of fish immunity should lead to improvements in monitoring fish health and predicting the impact of polycyclic aromatic hydrocarbons on fish populations, which is a fundamental ecotoxicological goal

  20. The effects of polycyclic aromatic hydrocarbons on the immune system of fish: A review

    Energy Technology Data Exchange (ETDEWEB)

    Reynaud, S. [Laboratoire d' Ecologie Alpine. UMR CNRS 5553. Universite Joseph Fourier. BP 53. 38041 Grenoble cedex 9 (France) and Laboratory of General and Comparative Immunophysiology, Science Teaching and Research Unit, 123, av. Albert Thomas, 87060 Limoges (France)]. E-mail: stephane.reynaud@ujf-grenoble.fr; Deschaux, P. [Laboratory of General and Comparative Immunophysiology, Science Teaching and Research Unit, 123, av. Albert Thomas, 87060 Limoges (France)

    2006-05-01

    Polycyclic aromatic hydrocarbons are an important class of environmental pollutants that are known to be carcinogenic and immunotoxic. This review summarizes the diverse literature on the effects of these pollutants on innate and acquired immunity in fish and the mechanism of PAH-induced immunotoxicity. Among innate immune parameters, many authors have focused on macrophage activities in fish exposed to polycyclic aromatic hydrocarbons. Macrophage respiratory burst appears especially sensitive to polycyclic aromatic hydrocarbons. Among acquired immune parameters, lymphocyte proliferation appears highly sensitive to polycyclic aromatic hydrocarbon exposure. However, the effects of polycyclic aromatic hydrocarbons on both specific and non-specific immunity are contradictory and depend on the mode of exposure, the dose used or the species studied. In contrast to mammals, fewer studies have been done in fish to determine the mechanism of polycyclic aromatic hydrocarbon-induced toxicity. This phenomenon seems to implicate different intracellular mechanisms such as metabolism by cytochrome P4501A, binding to the Ah-receptor, or increased intracellular calcium. Advances in basic knowledge of fish immunity should lead to improvements in monitoring fish health and predicting the impact of polycyclic aromatic hydrocarbons on fish populations, which is a fundamental ecotoxicological goal.

  1. Lifshitz-Slyozov kinetics of a nonconserved system that separates into phases of different density

    DEFF Research Database (Denmark)

    Mouritsen, Ole G.; Shah, Peter Jivan; Andersen, Jørgen Vitting

    1990-01-01

    Computer-simulation techniques are applied to analyze the late-stage ordering kinetics of a two-dimensional annealed dilute Ising model quenched into regions of its phase diagram that involve phase separation of phases with different densities. The order parameter of the model is a nonconserved...... of the phase-separation kinetics in O/W(110) systems at high coverage....

  2. Relativistic quantum kinetic analysis of a pion--nucleon system

    International Nuclear Information System (INIS)

    Alonso, J.D.

    1985-01-01

    A relativistic plasma of nucleons interacting through pions via the usual isospin-invariant Yukawa coupling is analyzed in the framework of the covariant Wigner function technique. The method is manifestly covariant and the temperature effects are considered. The relativistic quantum BBGKY hierarchy for the pion--nucleon system is derived. By generalizing the Bogolioubov analysis of the classical BBGKY hierarchy a non-perturbative renormalizable method is elaborated which allows the solution of the kinetic problem in form of power series of two cluster parameters which measure the importance of correlations. In the lowest order of the cluster expansion (Hartree approximation of zero-order approximation) the quasi-nucleon Fock space is introduced, the fermion Wigner function in the thermodynamic equilibrium is obtained and the vacuum effects are renormalized. In this approximation the plasma behaves as a perfect Fermi gas of nucleons and antinucleons, but there exists an abnormal configuration with a uniform pion condensate which is unstable. In the next approximation (quadratic in the small parameters) the quasi-pion dispersion relation is obtained and the vacuum polarization tensor is renormalized. The quasi-pion rest-mass spectra (''plasma frequency'') and the effective-coupling behaviour as functions of the thermodynamic state are given. By estimating the size of the cluster parameters the self-consistency of the approximation scheme is proved. The quasi-pion Fock space is introduced and the quasi-pion equilibrium Wigner function is obtained. From these results the problem of the higher-order corrections to the Hartree thermodynamics is outlined

  3. Analysis of hydrocarbons generated in coalbeds

    Science.gov (United States)

    Butala, Steven John M.

    This dissertation describes kinetic calculations using literature data to predict formation rates and product yields of oil and gas at typical low-temperature conditions in coalbeds. These data indicate that gas formation rates from hydrocarbon thermolysis are too low to have generated commercial quantities of natural gas, assuming bulk first-order kinetics. Acid-mineral-catalyzed cracking, transition-metal-catalyzed hydrogenolysis of liquid hydrocarbons, and catalyzed CO2 hydrogenation form gas at high rates. The gaseous product compositions for these reactions are nearly the same as those for typical natural coalbed gases, while those from thermal and catalytic cracking are more representative of atypical coalbed gases. Three Argonne Premium Coals (Upper-Freeport, Pittsburgh #8 and Lewiston-Stockton) were extracted with benzene in both Soxhlet and elevated pressure extraction (EPE) systems. The extracts were compared on the basis of dry mass yield and hydrocarbon profiles obtained by gas chromatography/mass spectrometry. The dry mass yields for the Upper-Freeport coal gave consistent results by both methods, while the yields from the Pittsburgh #8 and Lewiston-Stockton coals were greater by the EPE method. EPE required ˜90 vol. % less solvent compared to Soxhlet extraction. Single-ion-chromatograms of the Soxhlet extracts all exhibited bimodal distributions, while those of the EPE extracts did not. Hydrocarbons analyzed from Greater Green River Basin samples indicate that the natural oils in the basin originated from the coal seams. Analysis of artificially produced oil indicates that hydrous pyrolysis mimics generation of C15+ n-alkanes, but significant variations were found in the branched alkane, low-molecular-weight n-alkanes, and high-molecular-weight aromatic hydrocarbon distributions.

  4. Diffusion-controlled interface kinetics-inclusive system-theoretic propagation models for molecular communication systems

    Science.gov (United States)

    Chude-Okonkwo, Uche A. K.; Malekian, Reza; Maharaj, B. T.

    2015-12-01

    Inspired by biological systems, molecular communication has been proposed as a new communication paradigm that uses biochemical signals to transfer information from one nano device to another over a short distance. The biochemical nature of the information transfer process implies that for molecular communication purposes, the development of molecular channel models should take into consideration diffusion phenomenon as well as the physical/biochemical kinetic possibilities of the process. The physical and biochemical kinetics arise at the interfaces between the diffusion channel and the transmitter/receiver units. These interfaces are herein termed molecular antennas. In this paper, we present the deterministic propagation model of the molecular communication between an immobilized nanotransmitter and nanoreceiver, where the emission and reception kinetics are taken into consideration. Specifically, we derived closed-form system-theoretic models and expressions for configurations that represent different communication systems based on the type of molecular antennas used. The antennas considered are the nanopores at the transmitter and the surface receptor proteins/enzymes at the receiver. The developed models are simulated to show the influence of parameters such as the receiver radius, surface receptor protein/enzyme concentration, and various reaction rate constants. Results show that the effective receiver surface area and the rate constants are important to the system's output performance. Assuming high rate of catalysis, the analysis of the frequency behavior of the developed propagation channels in the form of transfer functions shows significant difference introduce by the inclusion of the molecular antennas into the diffusion-only model. It is also shown that for t > > 0 and with the information molecules' concentration greater than the Michaelis-Menten kinetic constant of the systems, the inclusion of surface receptors proteins and enzymes in the models

  5. A consistent description of kinetics and hydrodynamics of quantum Bose-systems

    Directory of Open Access Journals (Sweden)

    P.A.Hlushak

    2004-01-01

    Full Text Available A consistent approach to the description of kinetics and hydrodynamics of many-Boson systems is proposed. The generalized transport equations for strongly and weakly nonequilibrium Bose systems are obtained. Here we use the method of nonequilibrium statistical operator by D.N. Zubarev. New equations for the time distribution function of the quantum Bose system with a separate contribution from both the kinetic and potential energies of particle interactions are obtained. The generalized transport coefficients are determined accounting for the consistent description of kinetic and hydrodynamic processes.

  6. Characterization and concentrations of polycyclic aromatic hydrocarbons in emissions from different heating systems in Damascus, Syria.

    Science.gov (United States)

    Alkurdi, Farouk; Karabet, François; Dimashki, Marwan

    2014-04-01

    Traffic has long been recognized as the major contributor to polycyclic aromatic hydrocarbon (PAH) emissions to the urban atmosphere. Stationary combustion sources, including residential space heating systems, are also a major contributor to PAH emissions. The aim of this study was to determine the profile and concentration of PAHs in stack flue gas emissions from different kinds of space heaters in order to increase the understanding of the scale of the PAH pollution problem caused by this source. This study set out to first assess the characteristics of PAHs and their corresponding benzo[a]pyrene equivalent emissions from a few types of domestic heaters and central heating systems to the urban atmosphere. The study, enabled for the first time, the characterization of PAHs in stationary combustion sources in the city of Damascus, Syria. Nine different types of heating systems were selected with respect to age, design, and type of fuel burned. The concentrations of 15 individual PAH compounds in the stack flue gas were determined in the extracts of the collected samples using high-performance liquid chromatography system (HPLC) equipped with ultraviolet-visible and fluorescence detectors. In general, older domestic wood stoves caused considerably higher PAH emissions than modern domestic heaters burning diesel oil. The average concentration of ΣPAH (sum of 15 compounds) in emissions from all types of studied heating systems ranged between 43 ± 0.4 and 316 ± 1.4 μg/m(3). Values of total benzo[a]pyrene equivalent ranged between 0.61 and 15.41 μg/m(3).

  7. Ordering kinetics in model systems with inhibited interfacial adsorption

    DEFF Research Database (Denmark)

    Willart, J.-F.; Mouritsen, Ole G.; Naudts, J.

    1992-01-01

    . The results are related to experimental work on ordering processes in orientational glasses. It is suggested that the experimental observation of very slow ordering kinetics in, e.g., glassy crystals of cyanoadamantane may be a consequence of low-temperature activated processes which ultimately lead...

  8. Hydrocarbon fuel processing of micro solid oxide fuel cell systems[Dissertation 17455

    Energy Technology Data Exchange (ETDEWEB)

    Stutz, M. J.

    2007-07-01

    The scope of this thesis is the numerical and experimental investigation of the fuel processing of a micro solid oxide fuel cell (SOFC) running on hydrocarbon fuel. The goal is to enhance the overall system efficiency by optimization of the reforming process in the steady state and the improvement of the start-up process. Micro SOFC are a potential alternative to the currently used batteries in portable devices. Liquid butane in a cartridge could be the energy source. This dissertation is focused on the fuel processing of the system, namely the reforming and post-combusting processes. The reformer converts the hydrocarbon fuel to a hydrogen rich gas that can be utilized by the SOFC. The post-combustor depletes the toxic and/or explosive gases before leaving the exhaust. Chapter One presents a short introduction to the field of hydrocarbon fuel processing in micro solid oxide fuel cell systems, the next three chapters deal with computational modeling of the transport phenomena inside a micro-reformer, which leads to a better understanding of the chemistry and the physics therein, hence progress in the design and operation parameters. The experimental part (i.e. Chapter Five) of this thesis focuses on the feasibility of a novel hybrid start-up method of a fuel cell system that employs existing components as an additional heat source. In Chapter Two the effect of wall heat conduction on the syngas (hydrogen and carbon monoxide) production of a micro-reformer, representing micro-fabricated channels or monoliths, is investigated. Methane is used as a model hydrocarbon fuel since its heterogeneous reaction path on rhodium is known and validated. The simulations demonstrate that the axial wall conduction strongly influences the performance of the micro-reformer and should not be neglected without a careful a priori investigation of its impact. Methane conversion and hydrogen yield are strongly dependent of the wall inner surface temperature, which is influenced by the

  9. Fate of diesel fuel hydrocarbon in composting bioremediation system using radio- labeled 14C phenanthrene

    International Nuclear Information System (INIS)

    Hesnawi, R. M.; McCartney, D. M.

    2008-01-01

    To characterize the fate of fuel hydrocarbon in bioremediation composting system, diesel fuel, spiked with radio-labeled [9-1 4C ] phenanthrene at activity of 0.15μCi g - 1 of diesel fuel, was added to the soil to yield a contaminant load of 20,000 mg kg - 1 dry soil. The contaminated soil was amended with either fresh feedstock material (municipal sludge, leaves, and wood shaving) or mature compost and then incubated at thermophilic temperature pattern for 126 day. The mineralized, volatilized, and extractable fractions of 1 4C labeled phenanthrene were determined every two weeks over 126-days experimental period. The 1 4C data were used to predict the amount of removal due to biodegradation and sorption. In controls that were not amended with compost, no mineralization of 1 4C phenanthrene was detected, whereas treatments that received compost amendment showed significant release of phenanthrene as 1 4C O 2., ranging from 25% to 42% of initial radioactivity concentrations. The 1 4C extracted from the solids were decreasing with time. The total radioactivity extracted at the end of the experiment was less than 11% in the amended soil, whereas in the controls, more than 65% of the 1 4C was extracted. The 1 4C data indicated that bound residues formation was the major mechanism for the removal of pantherine or its metabolites. (author)

  10. A system for removing both oxygen and nitrogen from a rare gas-hydrocarbon mixture

    International Nuclear Information System (INIS)

    Dijkman, W.H.

    1989-01-01

    A study has been made how to remove nitrogen from a mixture of a rare gas and a hydrocarbon in addition to the removal of oxygen, H 2 O and gaseous oxides. The purpose was to find a simple method for the purification of drift-chamber gases in a recirculation system. Such a method would reduce the operating costs of the large detectors presently constructed for LEP. A promising technique has been developed. First results of a chemical reactor using the novel technique are presented. The N 2 content of Ar/air mixtures containing up to 28% air could be reduced to a level of 20 ppm at a flow rate of 0.11 m 3 /h (200 ppm at 1.0 m 3 /h); and the O 2 content to 30 and 300 ppm respectively. Water and gaseous oxides concentrations were always below 5 ppm. Some of the practical problems still to be solved are discussed and suggestions are given for further development and applications. The method can in principle be of more general use. (orig.)

  11. Design and implementation of a highly integrated and automated in situ bioremediation system for petroleum hydrocarbons

    International Nuclear Information System (INIS)

    Dey, J.C.; Rosenwinkel, P.; Norris, R.D.

    1996-01-01

    The proposed sale of an industrial property required that an environmental investigation be conducted as part of the property transfer agreement. The investigation revealed petroleum hydrocarbon compounds (PHCs) in the subsurface. Light nonaqueous phase liquids (LNAPLs) varsol (a gasoline like solvent), gasoline, and fuel oil were found across a three (3) acre area and were present as liquid phase PHCs, as dissolved phase PHCs, and as adsorbed phase PHCs in both saturated and unsaturated soils. Fuel oil was largely present in the unsaturated soils. Fuel oil was largely present in the unsaturated soils. Varsol represented the majority of the PHCs present. The presence of liquid phase PHCs suggested that any remedial action incorporate free phase recovery. The volatility of varsol and gasoline and the biodegradability of the PHCs present in the subsurface suggested that bioremediation, air sparging, and soil vapor extraction/bioventing were appropriate technologies for incorporation in a remedy. The imminent conversion of the impacted area to a retail facility required that any long term remedy be unobtrusive and require minimum activity across much of the impacted area. In the following sections the site investigation, selection and testing of remedial technologies, and design and implementation of an integrated and automated remedial system is discussed

  12. Development of gas chromatography-flame ionization detection system with a single column and liquid nitrogen-free for measuring atmospheric C2-C12 hydrocarbons.

    Science.gov (United States)

    Liu, Chengtang; Mu, Yujing; Zhang, Chenglong; Zhang, Zhibo; Zhang, Yuanyuan; Liu, Junfeng; Sheng, Jiujiang; Quan, Jiannong

    2016-01-04

    A liquid nitrogen-free GC-FID system equipped with a single column has been developed for measuring atmospheric C2-C12 hydrocarbons. The system is consisted of a cooling unit, a sampling unit and a separation unit. The cooling unit is used to meet the temperature needs of the sampling unit and the separation unit. The sampling unit includes a dehydration tube and an enrichment tube. No breakthrough of the hydrocarbons was detected when the temperature of the enrichment tube was kept at -90 °C and sampling volume was 400 mL. The separation unit is a small round oven attached on the cooling column. A single capillary column (OV-1, 30 m × 0.32 mm I.D.) was used to separate the hydrocarbons. An optimal program temperature (-60 ∼ 170 °C) of the oven was achieved to efficiently separate C2-C12 hydrocarbons. There were good linear correlations (R(2)=0.993-0.999) between the signals of the hydrocarbons and the enrichment amount of hydrocarbons, and the relative standard deviation (RSD) was less than 5%, and the method detection limits (MDLs) for the hydrocarbons were in the range of 0.02-0.10 ppbv for sampling volume of 400 mL. Field measurements were also conducted and more than 50 hydrocarbons from C2 to C12 were detected in Beijing city. Copyright © 2015 Elsevier B.V. All rights reserved.

  13. Systems, methods and computer-readable media to model kinetic performance of rechargeable electrochemical devices

    Science.gov (United States)

    Gering, Kevin L.

    2013-01-01

    A system includes an electrochemical cell, monitoring hardware, and a computing system. The monitoring hardware samples performance characteristics of the electrochemical cell. The computing system determines cell information from the performance characteristics. The computing system also analyzes the cell information of the electrochemical cell with a Butler-Volmer (BV) expression modified to determine exchange current density of the electrochemical cell by including kinetic performance information related to pulse-time dependence, electrode surface availability, or a combination thereof. A set of sigmoid-based expressions may be included with the modified-BV expression to determine kinetic performance as a function of pulse time. The determined exchange current density may be used with the modified-BV expression, with or without the sigmoid expressions, to analyze other characteristics of the electrochemical cell. Model parameters can be defined in terms of cell aging, making the overall kinetics model amenable to predictive estimates of cell kinetic performance along the aging timeline.

  14. Correlation of phase equilibria for water + hydrocarbon systems at high temperatures and pressures by cubic equation of state

    Energy Technology Data Exchange (ETDEWEB)

    Haruki, Masashi; Yahiro, Yukihito; Higashi, Hidenori; Iwai, Yoshio; Arai, Yasuhiko [Kyushu University, FUkuoka (Japan). Graduate School of Engineering

    1999-08-01

    A modified-Soave-Redlich-Kwong (MSRK) equation of state with an exponent-type mixing rule for the energy parameter and a conventional rule for the size parameter is applied to correlate the phase equilibria for four binary mixtures of water + hydrocarbon (benzene, hexane, decane, and dodecane) systems at high temperatures and pressures. It is noted that good correlation results are obtained by using the mixing rules with interaction parameters between unlike molecules. (author)

  15. Petroleum hydrocarbons

    International Nuclear Information System (INIS)

    Farrington, J.W.; Teal, J.M.; Parker, P.L.

    1976-01-01

    Methods for analysis of petroleum hydrocarbons in marine samples are presented. Types of hydrocarbons present and their origins are discussed. Principles and methods of analysis are outlined. Infrared spectrometry, uv spectrometry, gas chromatography, mass spectroscopy, and carbon 14 measurements are described

  16. Bacterial diversity in the active stage of a bioremediation system for mineral oil hydrocarbon-contaminated soils.

    Science.gov (United States)

    Popp, Nicole; Schlömann, Michael; Mau, Margit

    2006-11-01

    Soils contaminated with mineral oil hydrocarbons are often cleaned in off-site bioremediation systems. In order to find out which bacteria are active during the degradation phase in such systems, the diversity of the active microflora in a degrading soil remediation system was investigated by small-subunit (SSU) rRNA analysis. Two sequential RNA extracts from one soil sample were generated by a procedure incorporating bead beating. Both extracts were analysed separately by generating individual SSU rDNA clone libraries from cDNA of the two extracts. The sequencing results showed moderate diversity. The two clone libraries were dominated by Gammaproteobacteria, especially Pseudomonas spp. Alphaproteobacteria and Betaproteobacteria were two other large groups in the clone libraries. Actinobacteria, Firmicutes, Bacteroidetes and Epsilonproteobacteria were detected in lower numbers. The obtained sequences were predominantly related to genera for which cultivated representatives have been described, but were often clustered together in the phylogenetic tree, and the sequences that were most similar were originally obtained from soils and not from pure cultures. Most of the dominant genera in the clone libraries, e.g. Pseudomonas, Acinetobacter, Sphingomonas, Acidovorax and Thiobacillus, had already been detected in (mineral oil hydrocarbon) contaminated environmental samples. The occurrence of the genera Zymomonas and Rhodoferax was novel in mineral oil hydrocarbon-contaminated soil.

  17. Kinetics of heterogeneous systems; La cinetique des milieux heterogenes

    Energy Technology Data Exchange (ETDEWEB)

    Deniz, V [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1967-07-01

    In this report, a general transport theory treatment is presented for the kinetics study as applied to finite heterogeneous systems. The theory is applicable to experiments near the critical point as well as to pulsed neutron experiments on multiplying or non-multiplying lattices. The general method is also applied to exponential experiments on infinite non-diverging lattices. The particularity of the present study is the explicit introduction of heterogeneity in the formulation and the search for the dependence of the parameters on the buckling of the finite medium. As a result of this, the finite medium parameters are in the first place expressed in terms of the corresponding infinite medium ones through the buckling and the anisotropic migration areas, and in the second place all the parameters are expressed as integrals only over an unit cell instead of over the whole pile. A preliminary less detailed study is first made in order to distinguish clearly between what are called 'dynamic parameters' and 'static parameters', and to define the meanings given in this report to these two terms. In the appendices are given approximate one-group treatments for the study of the dynamic fine structure, the time constant in infinite lattices, and the anisotropic diffusion coefficients in non-multiplying lattices. (author) [French] On presente dans ce rapport une methode generale, utilisant la theorie du transport pour l'etude de la cinetique des milieux finis heterogenes. La theorie est applicable aussi bien aux experiences pres de la criticite qu'aux experiences par sources pulsees de neutrons sur des reseaux multiplicateurs ou non-multiplicateurs. La methode generale est aussi appliquee aux experiences exponentielles sur des reseaux infinis non-divergents. La particularite de l'etude est l'introduction explicite de l'heterogeneite dans la formulation et la recherche de la dependance des parametres par rapport au laplacien du reseau fini. Il en resulte d'une part que les

  18. Kinetic of the Oxygen Control System (OCS) for stagnant lead-bismuth systems

    International Nuclear Information System (INIS)

    Lefhalm, C.H.; Knebel, J.U.; Mack, K.J.

    2001-09-01

    Within the framework of the HGF strategy fund project 99/16 ''Thermalhydraulic and Material Specific Investigations into the Realization of an accelerator driven system (ADS) to Transmute Minor Actinides'' at the institute for nuclear and energy technology (IKET) investigations on the cooling of thermally high-loaded surfaces with liquid lead bismuth (Pb-Bi) are carried out. To operate a Pb-Bi loop safety, for example in order to cool a spallation target or a blanket of an accelerator driven system (ADS), the control of the oxygen concentration within the liquid metal is an inalienable prerequisite to prevent or minimize corrosion at the structure material. In this report the kinetic behaviour of the oxygen control system (OCS), which was developed at Forschungszentrum Karlsruhe, is examined. The OCS controls the chemical potential of oxygen in the liquid metal by regulating the oxygen content in the gas phase which flows over the free surface of the liquid metal. In this work the experimental facility KOCOS (kinetics of oxygen control system) in the karlsruhe lead laboratory (KALLA) was built. A physical diffusion model was utilised and extended to describe the exchange of oxygen between the gas and the liquid metal. The theoretical calculations are in very good agreement to the experimental findings. The OCS allows to control reversibly the oxygen concentration in the liquid metal. According to the observed kinetics of the process one can extrapolate that the control of large volumes, as they are necessary to operate an ADS demonstrator, is possible. Therefore, further experiments in liquid metal loop systems are suggested. (orig.)

  19. Flywheels for Low-Speed Kinetic Energy Storage Systems

    Energy Technology Data Exchange (ETDEWEB)

    Portnov, G.; Cruz, I.; Arias, F.; Fiffe, R. P.

    2003-07-01

    A brief overview of different steel disc-type flywheels is presented. It contents the analysis of relationship between stress-state and kinetic energy of rotating body, comparison of the main characteristics of flywheels and description of their optimization procedures. It is shown that profiles of the discs calculated on a basis of plane stress-state assumption may be considered only as a starting point for its further improvement using 3-D approach. The aim of the review is to provide a designer for a insight into problem of shaping of steel flywheels. (Author) 19 refs.

  20. Flywheels for Low-Speed Kinetic Energy Storage Systems

    International Nuclear Information System (INIS)

    Portnov, G.; Cruz, I.; Arias, F.; Fiffe, R. P.

    2003-01-01

    A brief overview of different steel disc-type flywheels is presented. It contents the analysis of relationship between stress-state and kinetic energy of rotating body, comparison of the main characteristics of flywheels and description of their optimization procedures. It is shown that pro files of the discs calculated on a basis of plane stress-state assumption may be considered only as a starting point for its further improvement using 3-D approach. The aim of the review is to provide a designer for a insight into problem of shaping of steel flywheels. (Author) 19 refs

  1. 2Dbasin modelling of the hydrocarbon systems in the forearc basin of Sumatra; 2D-Beckenmodellierung des Kohlenwasserstoff-Systems im Forearc-Bereich von Sumatra

    Energy Technology Data Exchange (ETDEWEB)

    Stratmann, V.; Berglar, K.; Lutz, R.; Schloemer, S. [Bundesanstalt fuer Geowissenschaften und Rohstoffe, Hannover (Germany); Djajadihardja, Y.S. [Agency for the Assessment and Application of Technology, Jakarta (Indonesia)

    2008-10-23

    In the forearc basin of Sumatra, individual industrial drillings indicated the existence of hydrocarbons. The authors of the contribution under consideration report on an investigation of the hydrocarbon system within this forearc basin by means of a two-dimensional modelling of this basin. The structural development of the basins in the forearc area proceeded differently. Therefore, geophysical data for the investigation of the geological structures as well as geological/geochemical data were raised. The preliminary results of the two-dimensional modelling of the Simeulue basin northwest from Sumatra are presented.

  2. Flow-Based Systems for Rapid and High-Precision Enzyme Kinetics Studies

    Directory of Open Access Journals (Sweden)

    Supaporn Kradtap Hartwell

    2012-01-01

    Full Text Available Enzyme kinetics studies normally focus on the initial rate of enzymatic reaction. However, the manual operation of steps of the conventional enzyme kinetics method has some drawbacks. Errors can result from the imprecise time control and time necessary for manual changing the reaction cuvettes into and out of the detector. By using the automatic flow-based analytical systems, enzyme kinetics studies can be carried out at real-time initial rate avoiding the potential errors inherent in manual operation. Flow-based systems have been developed to provide rapid, low-volume, and high-precision analyses that effectively replace the many tedious and high volume requirements of conventional wet chemistry analyses. This article presents various arrangements of flow-based techniques and their potential use in future enzyme kinetics applications.

  3. Experimental investigation of hydrocarbon mixtures to replace HFC-134a in an automotive air conditioning system

    International Nuclear Information System (INIS)

    Wongwises, Somchai; Kamboon, Amnouy; Orachon, Banchob

    2006-01-01

    This paper presents an experimental study on the application of hydrocarbon mixtures to replace HFC-134a in automotive air conditioners. The hydrocarbons investigated are propane (R290), butane (R600) and isobutane (R600a). The measured data are obtained from an automotive air conditioning test facility utilizing HFC-134a as the refrigerant. The air conditioner, with a capacity of 3.5 kW driven by a Diesel engine, is charged and tested with four different ratios of hydrocarbon mixtures. The experiments are conducted at the same surrounding conditions. The temperature and pressure of the refrigerant at every major position in the refrigerant loop, the temperature, flow rate and humidity of air, torque and engine speed are recorded and analyzed. The parameters investigated are the refrigeration capacity, the compressor power and the coefficient of performance (COP). The results show that propane/butane/isobutane: 50%/40%/10% is the most appropriate alternative refrigerant to replace HFC-134a, having the best performance of all the hydrocarbon mixtures investigated

  4. Radiation chemistry of hydrocarbon and alkyl halide systems. Progress report, August 30, 1979-July 31, 1980

    International Nuclear Information System (INIS)

    Hanrahan, R.J.

    1980-01-01

    This progress report covers experiments on pulse radiolysis of methyl iodide, radiation induced reactions in H 2 -CO mixtures and photochemistry and mass spectrometry of CF 3 I-CH 3 I systems. In the pulse radiolysis of alkyl iodide, it was possible to follow rate processes involving atomic iodine in the 2 P/sub 1/2/ excited state and 2 P/sub 3/2/ ground state resulting from irradiation of these compounds. The excited state proved easy to follow, since it can be observed in a strong transition at 206.2 nm. Observation of atomic iodine in the 2 P/sub 3/2/ ground state proved difficult, since it must be observed at 178.3 nm, well into the vacuum ultraviolet. Several design improvements in the pulse radiolysis apparatus were made to achieve a reliable measurement of the I*/I production ratio. The physical arrangement of the apparatus which was adopted is illustrated. A remaining problem which stands in the way of measuring I*/I ratios is the lack of information on extinction coefficients of 2 P/sub 1/2/ and 2 P/sub 3/2/ atomic iodine at 206 and 178 nm. It is expected that indirect calculations and/or computer modelling will be employed. In the H 2 -CO system, investigation of the effect of total pressure in the homogeneous gas phase was made, concentrating on the 3:1 H 2 -CO mixtures. Measurements were made as a function of pressure in the range of 250 to 3300 torr for saturated and unsaturated hydrocarbon in the C 1 to C 6 range. Two trends were exhibited; yields of all products dropped markedly as system pressure was increased; and yields in the nickel vessels were generally in excess of yields in the stainless vessels. Photolysis of CF 3 I-CH 3 I gas phase showed a substantial yield of the product CH 2 I 2 . High pressure mass spectrometry of CF 3 -CH 3 I mixtures revealed (CH 3 ICH 3 ) + , I 2 + , CF 3 I 2 + , (CF 3 I) 2 + , and unique species such as CF 3 ICH 3 and CF 2 ICH 2 +

  5. Kinetic model for predicting the composition of chlorinated water discharged from power plant cooling systems

    International Nuclear Information System (INIS)

    Lietzke, M.H.

    1977-01-01

    The results of applying a kinetic model to the chlorination data supplied by Commonwealth Edison on the once-through cooling system at the Quad Cities Nuclear Station provide a validation of the model. The two examples given demonstrate that the model may be applied to either once-through cooling systems or to cooling systems involving cooling towers

  6. Systems identification: a theoretical method applied to tracer kinetics in aquatic microcosms

    International Nuclear Information System (INIS)

    Halfon, E.; Georgia Univ., Athens

    1974-01-01

    A mathematical model of radionuclide kinetics in a laboratory microcosm was built and the transfer parameters estimated by multiple regression and system identification techniques. Insight into the functioning of the system was obtained from analysis of the model. Methods employed have allowed movements of radioisotopes not directly observable in the experimental systems to be distinguished. Results are generalized to whole ecosystems

  7. Influence on moisture and hydrocarbons on conversion rate of tritium in catalytic reactors of fusion-DEMO detritiation system

    International Nuclear Information System (INIS)

    Edao, Yuki; Sato, Katsumi; Iwai, Yasunori; Hayashi, Takumi

    2017-01-01

    Thoughtful consideration of abnormal events such as fire is required to design and qualify a detritiation system (DS) of a nuclear fusion facility. Since conversion of tritium to tritiated vapor over catalyst is the key process of the DS, it is indispensable to evaluate the effect of excess moisture and hydrocarbons produced by combustion of cables on tritium conversion rate considering fire events. We conducted demonstration tests on tritium conversion under the following representative conditions: (I) leakage of tritium, (II) leakage of tritium plus moisture, and (III) leakage of tritium plus hydrocarbons. Detritiation behavior in the simulated room was assessed, and the amount of catalyst to fulfill the requirement on tritium conversion rate was evaluated. The dominant parameters for detritiation are the concentration of hydrogen in air and catalyst temperature. The tritium in the simulated room was decreased for condition (I) following ventilation theory. An initial reduction in conversion rate was measured for condition (II). To recover the reduction smoothly, it is suggested to optimize the power of preheater. An increase in catalyst temperature by heat of reaction of hydrocarbon combustion was evaluated for condition (III). The heat balance of catalytic reactor is a point to be carefully investigated to avoid runaway of catalyst temperature. (author)

  8. Evaluation of the condensation potential of hydrocarbon fluids in the national gas pipeline system; establishing of adequate operational schemes

    International Nuclear Information System (INIS)

    Pineda Gomez, Cesar Augusto; Arenas Mantilla, Oscar Armando; Santos Santos, Nicolas

    2007-01-01

    For transporting industry of natural gas by pipeline systems, it's vital to guarantee the integrity of their lines, in order to decrease operational costs and prevent accidents that may damaging against people's safety, the environment or the infrastructure itself. in this paper it's presented the principal compounds from o technical study about principal net and its distribution branches to municipalities of the National System Transport of Natural Gas pointed by the Colombian Natural Gas Company - ECOGAS, (specifically the Cusiana - Porvenir - La Belleza, La Belleza - Cogua, La Belleza - Vasconia, Vasconia - Neiva and Vasconia - Cali gas lines, (see Figure 1). The principal objective is evaluate the possible condensation of hydrocarbons fluids inside gas lines, due to compositional characteristics of the gas, the different topographical conditions along the gas line route and the actual and future operational conditions to be implemented in the system. The evaluation performed over this gas streams, generates transcendental information in the creation of safe operational limits that minimizing the existence of obstacle problems and damages over pipeline systems and process equipment, due to the presence of liquid hydrocarbons inside these flow lines. This article has been prepared in four sections in order to guarantee easy access to each one of the steps involved in the study. Section one presents the compositional and thermodynamic analysis of feeding gas streams; in section two, its presented the required information for modeling gas lines with definition of the gas pipeline numerical simulation model in stable state; section three presents the sensitivity analysis for gas variation upon loading gas composition at the inlet point of the system, variation of the operational conditions (flow, pressure and gas temperature) and environment temperatures for the different inlet points (branches) with verification of compliance of the Unique Transport Regulation

  9. Two-liquid-phase system: A promising technique for predicting bioavailability of polycyclic aromatic hydrocarbons in long-term contaminated soils.

    Science.gov (United States)

    Wang, Congying; Wang, Ziyu; Li, Zengbo; Ahmad, Riaz

    2017-02-01

    A two-liquid-phase system (TLPS), which consisted of soil slurry and silicone oil, was employed to extract polycyclic aromatic hydrocarbons (PAHs) in four long-term contaminated soils in order to assess the bioavailability of PAHs. Extraction kinetics of six PAHs viz. phenanthrene, fluoranthene, pyrene, benzo(a)anthracene, benzo(a)pyrene, dibenzo(a,h)anthrancene were selected to investigate as they covered the susceptible and recalcitrant PAHs in soil. A parallel experiments were also carried out on the microbial degradation of these PAHs in soil with and without biostimulation (by adding (NH 4 ) 2 HPO 4 ). The rapidly desorbed fraction of fluoranthene, as indicated by the two-fraction model, was found the highest, ranging from 21.4% to 37.4%, whereas dibenzo(a,h)anthrancene was the lowest, ranging from 8.9% to 20.5%. The rapid desorption of selected PAHs was found to be finished within 24 h. The rapidly desorbed fraction of PAHs investigated using TLPS, was significantly correlated (R 2  = 0.95) with that degraded by microorganisms in biostimulation treatment. This suggested that the TLPS-assisted extraction could be a promising technique in determining the bioavailability of aged PAHs in contaminated soils. It also suggested that applying sufficient nutrients in bioremediation of field contaminated soils is crucial. Further work is required to test its application to more hydrophobic organic pollutants in long-term contaminated soils. Copyright © 2016 Elsevier Ltd. All rights reserved.

  10. Lipid based drug delivery systems: Kinetics by SANS

    Science.gov (United States)

    Uhríková, D.; Teixeira, J.; Hubčík, L.; Búcsi, A.; Kondela, T.; Murugova, T.; Ivankov, O. I.

    2017-05-01

    N,N-dimethyldodecylamine-N-oxide (C12NO) is a surfactant that may exist either in a neutral or protonated form depending on the pH of aqueous solutions. Using small angle X-ray diffraction (SAXD) we demonstrate structural responsivity of C12NO/dioleoylphospha-tidylethanolamine (DOPE)/DNA complexes designed as pH sensitive gene delivery vectors. Small angle neutron scattering (SANS) was employed to follow kinetics of C12NO protonization and DNA binding into C12NO/DOPE/DNA complexes in solution of 150 mM NaCl at acidic condition. SANS data analyzed using paracrystal lamellar model show the formation of complexes with stacking up to ∼32 bilayers, spacing ∼ 62 Å, and lipid bilayer thickness ∼37 Å in 3 minutes after changing pH from 7 to 4. Subsequent structural reorganization of the complexes was observed along 90 minutes of SANS mesurements.

  11. Lipid based drug delivery systems: Kinetics by SANS

    International Nuclear Information System (INIS)

    Uhríková, D; Hubčík, L; Búcsi, A; Kondela, T; Teixeira, J; Murugova, T; Ivankov, O I

    2017-01-01

    N,N-dimethyldodecylamine-N-oxide (C 12 NO) is a surfactant that may exist either in a neutral or protonated form depending on the pH of aqueous solutions. Using small angle X-ray diffraction (SAXD) we demonstrate structural responsivity of C 12 NO/dioleoylphospha-tidylethanolamine (DOPE)/DNA complexes designed as pH sensitive gene delivery vectors. Small angle neutron scattering (SANS) was employed to follow kinetics of C 12 NO protonization and DNA binding into C 12 NO/DOPE/DNA complexes in solution of 150 mM NaCl at acidic condition. SANS data analyzed using paracrystal lamellar model show the formation of complexes with stacking up to ∼32 bilayers, spacing ∼ 62 Å, and lipid bilayer thickness ∼37 Å in 3 minutes after changing pH from 7 to 4. Subsequent structural reorganization of the complexes was observed along 90 minutes of SANS mesurements. (paper)

  12. Superconductivity, Antiferromagnetism, and Kinetic Correlation in Strongly Correlated Electron Systems

    Directory of Open Access Journals (Sweden)

    Takashi Yanagisawa

    2015-01-01

    Full Text Available We investigate the ground state of two-dimensional Hubbard model on the basis of the variational Monte Carlo method. We use wave functions that include kinetic correlation and doublon-holon correlation beyond the Gutzwiller ansatz. It is still not clear whether the Hubbard model accounts for high-temperature superconductivity. The antiferromagnetic correlation plays a key role in the study of pairing mechanism because the superconductive phase exists usually close to the antiferromagnetic phase. We investigate the stability of the antiferromagnetic state when holes are doped as a function of the Coulomb repulsion U. We show that the antiferromagnetic correlation is suppressed as U is increased exceeding the bandwidth. High-temperature superconductivity is possible in this region with enhanced antiferromagnetic spin fluctuation and pairing interaction.

  13. A New Software for Management, Scheduling, and Optimization for the Light Hydrocarbon Pipeline Network System of Daqing Oilfield

    Directory of Open Access Journals (Sweden)

    Yongtu Liang

    2014-01-01

    Full Text Available This paper presents the new software which specifically developed based on Visual Studio 2010 for Daqing Oilfield China includes the most complex light hydrocarbon pipeline network system in Asia, has become a powerful auxiliary tool to manage field data, makes scheduling plans for batching operation, and optimizes pumping plans. Firstly, DMM for recording and managing field data is summarized. Then, the batch scheduling simulation module called SSM for the difficult batch-scheduling issues of the multiple-source pipeline network system is introduced. Finally, SOM, that is Scheduling Optimization Module, is indicated for solving the problem of the pumps being started up/shut-down frequently.

  14. Petrophilic, Fe(III Reducing Exoelectrogen Citrobacter sp. KVM11, Isolated From Hydrocarbon Fed Microbial Electrochemical Remediation Systems

    Directory of Open Access Journals (Sweden)

    Krishnaveni Venkidusamy

    2018-03-01

    Full Text Available Exoelectrogenic biofilms capable of extracellular electron transfer are important in advanced technologies such as those used in microbial electrochemical remediation systems (MERS Few bacterial strains have been, nevertheless, obtained from MERS exoelectrogenic biofilms and characterized for bioremediation potential. Here we report the identification of one such bacterial strain, Citrobacter sp. KVM11, a petrophilic, iron reducing bacterial strain isolated from hydrocarbon fed MERS, producing anodic currents in microbial electrochemical systems. Fe(III reduction of 90.01 ± 0.43% was observed during 5 weeks of incubation with Fe(III supplemented liquid cultures. Biodegradation screening assays showed that the hydrocarbon degradation had been carried out by metabolically active cells accompanied by growth. The characteristic feature of diazo dye decolorization was used as a simple criterion for evaluating the electrochemical activity in the candidate microbe. The electrochemical activities of the strain KVM11 were characterized in a single chamber fuel cell and three electrode electrochemical cells. The inoculation of strain KVM11 amended with acetate and citrate as the sole carbon and energy sources has resulted in an increase in anodic currents (maximum current density of 212 ± 3 and 359 ± mA/m2 with respective coulombic efficiencies of 19.5 and 34.9% in a single chamber fuel cells. Cyclic voltammetry studies showed that anaerobically grown cells of strain KVM11 are electrochemically active whereas aerobically grown cells lacked the electrochemical activity. Electrobioremediation potential of the strain KVM11 was investigated in hydrocarbonoclastic and dye detoxification conditions using MERS. About 89.60% of 400 mg l-1 azo dye was removed during the first 24 h of operation and it reached below detection limits by the end of the batch operation (60 h. Current generation and biodegradation capabilities of strain KVM11 were examined using an

  15. Petrophilic, Fe(III) Reducing Exoelectrogen Citrobacter sp. KVM11, Isolated From Hydrocarbon Fed Microbial Electrochemical Remediation Systems

    Science.gov (United States)

    Venkidusamy, Krishnaveni; Hari, Ananda Rao; Megharaj, Mallavarapu

    2018-01-01

    Exoelectrogenic biofilms capable of extracellular electron transfer are important in advanced technologies such as those used in microbial electrochemical remediation systems (MERS) Few bacterial strains have been, nevertheless, obtained from MERS exoelectrogenic biofilms and characterized for bioremediation potential. Here we report the identification of one such bacterial strain, Citrobacter sp. KVM11, a petrophilic, iron reducing bacterial strain isolated from hydrocarbon fed MERS, producing anodic currents in microbial electrochemical systems. Fe(III) reduction of 90.01 ± 0.43% was observed during 5 weeks of incubation with Fe(III) supplemented liquid cultures. Biodegradation screening assays showed that the hydrocarbon degradation had been carried out by metabolically active cells accompanied by growth. The characteristic feature of diazo dye decolorization was used as a simple criterion for evaluating the electrochemical activity in the candidate microbe. The electrochemical activities of the strain KVM11 were characterized in a single chamber fuel cell and three electrode electrochemical cells. The inoculation of strain KVM11 amended with acetate and citrate as the sole carbon and energy sources has resulted in an increase in anodic currents (maximum current density) of 212 ± 3 and 359 ± mA/m2 with respective coulombic efficiencies of 19.5 and 34.9% in a single chamber fuel cells. Cyclic voltammetry studies showed that anaerobically grown cells of strain KVM11 are electrochemically active whereas aerobically grown cells lacked the electrochemical activity. Electrobioremediation potential of the strain KVM11 was investigated in hydrocarbonoclastic and dye detoxification conditions using MERS. About 89.60% of 400 mg l-1 azo dye was removed during the first 24 h of operation and it reached below detection limits by the end of the batch operation (60 h). Current generation and biodegradation capabilities of strain KVM11 were examined using an initial

  16. Specificity Switching Pathways in Thermal and Mass Evaporation of Multicomponent Hydrocarbon Droplets: A Mesoscopic Observation.

    Science.gov (United States)

    Nasiri, Rasoul; Luo, Kai H

    2017-07-10

    For well over one century, the Hertz-Knudsen equation has established the relationship between thermal - mass transfer coefficients through a liquid - vapour interface and evaporation rate. These coefficients, however, have been often separately estimated for one-component equilibrium systems and their simultaneous influences on evaporation rate of fuel droplets in multicomponent systems have yet to be investigated at the atomic level. Here we first apply atomistic simulation techniques and quantum/statistical mechanics methods to understand how thermal and mass evaporation effects are controlled kinetically/thermodynamically. We then present a new development of a hybrid method of quantum transition state theory/improved kinetic gas theory, for multicomponent hydrocarbon systems to investigate how concerted-distinct conformational changes of hydrocarbons at the interface affect the evaporation rate. The results of this work provide an important physical concept in fundamental understanding of atomistic pathways in topological interface transitions of chain molecules, resolving an open problem in kinetics of fuel droplets evaporation.

  17. Liquid-liquid equilibria for binary and ternary systems containing glycols, aromatic hydrocarbons, and water: Experimental measurements and modeling with the CPA EoS

    DEFF Research Database (Denmark)

    Folas, Georgios; Kontogeorgis, Georgios; Michelsen, Michael Locht

    2006-01-01

    Liquid-liquid equilibrium data of four binary glycol + aromatic hydrocarbon systems and three ternary systems containing water have been measured at atmospheric pressure. The measured systems are monoethylene glycol (MEG) + benzene or toluene, triethylene glycol (TEG) + benzene or toluene, MEG...... + water + benzene, MEG + water + toluene, and TEG + water + toluene. The binary systems are correlated with the Cubic-Plus-Association (CPA) equation of state while the ternary systems are predicted from interaction parameters obtained from the binary systems. Very satisfactory liquid-liquid equilibrium...... correlations are obtained for the binary systems using temperature-independent interaction parameters, while adequate predictions are achieved for multicomponent water + glycol + aromatic hydrocarbons systems when accounting for the solvation between the aromatic hydrocarbons and glycols or water....

  18. Strong CH/O interactions between polycyclic aromatic hydrocarbons and water: Influence of aromatic system size.

    Science.gov (United States)

    Veljković, Dušan Ž

    2018-03-01

    Energies of CH/O interactions between water molecule and polycyclic aromatic hydrocarbons with a different number of aromatic rings were calculated using ab initio calculations at MP2/cc-PVTZ level. Results show that an additional aromatic ring in structure of polycyclic aromatic hydrocarbons significantly strengthens CH/O interactions. Calculated interaction energies in optimized structures of the most stable tetracene/water complex is -2.27 kcal/mol, anthracene/water is -2.13 kcal/mol and naphthalene/water is -1.97 kcal/mol. These interactions are stronger than CH/O contacts in benzene/water complex (-1.44 kcal/mol) while CH/O contacts in tetracene/water complex are even stronger than CH/O contacts in pyridine/water complexes (-2.21 kcal/mol). Electrostatic potential maps for different polycyclic aromatic hydrocarbons were calculated and used to explain trends in the energies of interactions. Copyright © 2017 Elsevier Inc. All rights reserved.

  19. Determination of uptake kinetics (sampling rates) by lipid-containing semipermeable membrane devices (SPMDs) for polycyclic aromatic hydrocarbons (PAHs) in water

    Science.gov (United States)

    Huckins, J.N.; Petty, J.D.; Orazio, C.E.; Lebo, J.A.; Clark, R.C.; Gibson, V.L.; Gala, W.R.; Echols, K.R.

    1999-01-01

    The use of lipid-containing semipermeable membrane devices (SPMDs) is becoming commonplace, but very little sampling rate data are available for the estimation of ambient contaminant concentrations from analyte levels in exposed SPMDs. We determined the aqueous sampling rates (R(s)s; expressed as effective volumes of water extracted daily) of the standard (commercially available design) 1-g triolein SPMD for 15 of the priority pollutant (PP) polycyclic aromatic hydrocarbons (PAHs) at multiple temperatures and concentrations. Under the experimental conditions of this study, recovery- corrected R(s) values for PP PAHs ranged from ???1.0 to 8.0 L/d. These values would be expected to be influenced by significant changes (relative to this study) in water temperature, degree of biofouling, and current velocity- turbulence. Included in this paper is a discussion of the effects of temperature and octanol-water partition coefficient (K(ow)); the impacts of biofouling and hydrodynamics are reported separately. Overall, SPMDs responded proportionally to aqueous PAH concentrations; i.e., SPMD R(s) values and SPMD-water concentration factors were independent of aqueous concentrations. Temperature effects (10, 18, and 26 ??C) on Rs values appeared to be complex but were relatively small.The use of lipid-containing semipermeable membrane devices (SPMDs) is becoming commonplace, but very little sampling rate data are available for the estimation of ambient contaminant concentrations from analyte levels in exposed SPMDs. We determined the aqueous sampling rates (Rss; expressed as effective volumes of water extracted daily) of the standard (commercially available design) 1-g triolein SPMD for 15 of the priority pollutant (PP) polycyclic aromatic hydrocarbons (PAHs) at multiple temperatures and concentrations. Under the experimental conditions of this study, recovery-corrected Rs values for PP PAHs ranged from ???1.0 to 8.0 L/d. These values would be expected to be influenced by

  20. Transport phenomena and kinetic theory applications to gases, semiconductors, photons, and biological systems

    CERN Document Server

    Gabetta, Ester

    2007-01-01

    The study of kinetic equations related to gases, semiconductors, photons, traffic flow, and other systems has developed rapidly in recent years because of its role as a mathematical tool in many applications in areas such as engineering, meteorology, biology, chemistry, materials science, nanotechnology, and pharmacy. Written by leading specialists in their respective fields, this book presents an overview of recent developments in the field of mathematical kinetic theory with a focus on modeling complex systems, emphasizing both mathematical properties and their physical meaning. The overall presentation covers not only modeling aspects and qualitative analysis of mathematical problems, but also inverse problems, which lead to a detailed assessment of models in connection with their applications, and to computational problems, which lead to an effective link of models to the analysis of real-world systems. "Transport Phenomena and Kinetic Theory" is an excellent self-study reference for graduate students, re...

  1. Kinetic Framework for the Magnetosphere-Ionosphere-Plasmasphere-Polar Wind System: Modeling Ion Outflow

    Science.gov (United States)

    Schunk, R. W.; Barakat, A. R.; Eccles, V.; Karimabadi, H.; Omelchenko, Y.; Khazanov, G. V.; Glocer, A.; Kistler, L. M.

    2014-12-01

    A Kinetic Framework for the Magnetosphere-Ionosphere-Plasmasphere-Polar Wind System is being developed in order to provide a rigorous approach to modeling the interaction of hot and cold particle interactions. The framework will include ion and electron kinetic species in the ionosphere, plasmasphere and polar wind, and kinetic ion, super-thermal electron and fluid electron species in the magnetosphere. The framework is ideally suited to modeling ion outflow from the ionosphere and plasmasphere, where a wide range for fluid and kinetic processes are important. These include escaping ion interactions with (1) photoelectrons, (2) cusp/auroral waves, double layers, and field-aligned currents, (3) double layers in the polar cap due to the interaction of cold ionospheric and hot magnetospheric electrons, (4) counter-streaming ions, and (5) electromagnetic wave turbulence. The kinetic ion interactions are particularly strong during geomagnetic storms and substorms. The presentation will provide a brief description of the models involved and discuss the effect that kinetic processes have on the ion outflow.

  2. Distribution of trichloroethylene and selected aliphatic and aromatic hydrocarbons between ''weathered'' and ''unweathered'' fuel mixtures and groundwater: Equilibrium and kinetic considerations

    International Nuclear Information System (INIS)

    Doucette, W.J.; Dupont, R.R.

    1995-01-01

    The distribution of trichloroethylene and several aliphatic and aromatic fuel components between 46 weathered and 11 unweathered fuel mixtures and groundwater was investigated using a slow stirring method. The weathered fuel mixtures were obtained from several contaminated field sites. Both unlabeled and 14C-labeled test compounds were used in the distribution experiments. Analyses of the test compound concentrations over time was performed by gas chromatograph or liquid scintillation counting. The time required to reach equilibrium varied from about 24 to 72 hours. Generally, the greater the hydrophobicity of the test compounds the longer time that was required to reach equilibrium. It was also observed that the fuel/water distribution coefficients were generally larger for the weathered fuels than those measured for the unweathered fuels, in some cases by a factor of 100. The weathered fuel mixtures obtained from the field site were depleted of the more water soluble compounds over time and became significantly more enriched in long chain aliphatic hydrocarbons. The ability of several models to describe the observed distribution behavior was examined

  3. National Gas Hydrate Program Expedition 01 offshore India; gas hydrate systems as revealed by hydrocarbon gas geochemistry

    Science.gov (United States)

    Lorenson, Thomas; Collett, Timothy S.

    2018-01-01

    The National Gas Hydrate Program Expedition 01 (NGHP-01) targeted gas hydrate accumulations offshore of the Indian Peninsula and along the Andaman convergent margin. The primary objectives of coring were to understand the geologic and geochemical controls on the accumulation of methane hydrate and their linkages to underlying petroleum systems. Four areas were investigated: 1) the Kerala-Konkan Basin in the eastern Arabian Sea, 2) the Mahanadi and 3) Krishna-Godavari Basins in the western Bay of Bengal, and 4) the Andaman forearc Basin in the Andaman Sea.Upward flux of methane at three of the four of the sites cored during NGHP-01 is apparent from the presence of seafloor mounds, seismic evidence for upward gas migration, shallow sub-seafloor geochemical evidence of methane oxidation, and near-seafloor gas composition that resembles gas from depth.The Kerala-Konkan Basin well contained only CO2 with no detectable hydrocarbons suggesting there is no gas hydrate system here. Gas and gas hydrate from the Krishna-Godavari Basin is mainly microbial methane with δ13C values ranging from −58.9 to −78.9‰, with small contributions from microbial ethane (−52.1‰) and CO2. Gas from the Mahanadi Basin was mainly methane with lower concentrations of C2-C5 hydrocarbons (C1/C2 ratios typically >1000) and CO2. Carbon isotopic compositions that ranged from −70.7 to −86.6‰ for methane and −62.9 to −63.7‰ for ethane are consistent with a microbial gas source; however deeper cores contained higher molecular weight hydrocarbon gases suggesting a small contribution from a thermogenic gas source. Gas composition in the Andaman Basin was mainly methane with lower concentrations of ethane to isopentane and CO2, C1/C2 ratios were mainly >1000 although deeper samples were exploration and occurs in a forearc basin. Each of these hydrate-bearing systems overlies and is likely supported by the presence and possible migration of gas from deeper gas-prone petroleum

  4. Non-reversible evolution of quantum chaotic system. Kinetic description

    International Nuclear Information System (INIS)

    Chotorlishvili, L.; Skrinnikov, V.

    2008-01-01

    It is well known that the appearance of non-reversibility in classical chaotic systems is connected with a local instability of phase trajectories relatively to a small change of initial conditions and parameters of the system. Classical chaotic systems reveal an exponential sensitivity to these changes. This leads to an exponential growth of initial error with time, and as the result after the statistical averaging over this error, the dynamics of the system becomes non-reversible. In spite of this, the question about the origin of non-reversibility in quantum case remains actual. The point is that the classical notion of instability of phase trajectories loses its sense during quantum consideration. The current work is dedicated to the clarification of the origin of non-reversibility in quantum chaotic systems. For this purpose we study a non-stationary dynamics of the chaotic quantum system. By analogy with classical chaos, we consider an influence of a small unavoidable error of the parameter of the system on the non-reversibility of the dynamics. It is shown in the Letter that due to the peculiarity of chaotic quantum systems, the statistical averaging over the small unavoidable error leads to the non-reversible transition from the pure state into the mixed one. The second part of the Letter is dedicated to the kinematic description of the chaotic quantum-mechanical system. Using the formalism of superoperators, a muster kinematic equation for chaotic quantum system was obtained from Liouville equation under a strict mathematical consideration

  5. Revealing the properties of oils from their dissolved hydrocarbon compounds in water with an integrated sensor array system.

    Science.gov (United States)

    Qi, Xiubin; Crooke, Emma; Ross, Andrew; Bastow, Trevor P; Stalvies, Charlotte

    2011-09-21

    This paper presents a system and method developed to identify a source oil's characteristic properties by testing the oil's dissolved components in water. Through close examination of the oil dissolution process in water, we hypothesise that when oil is in contact with water, the resulting oil-water extract, a complex hydrocarbon mixture, carries the signature property information of the parent oil. If the dominating differences in compositions between such extracts of different oils can be identified, this information could guide the selection of various sensors, capable of capturing such chemical variations. When used as an array, such a sensor system can be used to determine parent oil information from the oil-water extract. To test this hypothesis, 22 oils' water extracts were prepared and selected dominant hydrocarbons analyzed with Gas Chromatography-Mass Spectrometry (GC-MS); the subsequent Principal Component Analysis (PCA) indicates that the major difference between the extract solutions is the relative concentration between the volatile mono-aromatics and fluorescent polyaromatics. An integrated sensor array system that is composed of 3 volatile hydrocarbon sensors and 2 polyaromatic hydrocarbon sensors was built accordingly to capture the major and subtle differences of these extracts. It was tested by exposure to a total of 110 water extract solutions diluted from the 22 extracts. The sensor response data collected from the testing were processed with two multivariate analysis tools to reveal information retained in the response patterns of the arrayed sensors: by conducting PCA, we were able to demonstrate the ability to qualitatively identify and distinguish different oil samples from their sensor array response patterns. When a supervised PCA, Linear Discriminate Analysis (LDA), was applied, even quantitative classification can be achieved: the multivariate model generated from the LDA achieved 89.7% of successful classification of the type of the

  6. Purifying hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Demoulins, H D; Garner, F H

    1923-02-07

    Hydrocarbon distillates, including natural gases and vapors produced by cracking hydrocarbon oils, are desulfurized etc. by treating the vapor with an aqueous alkaline solution of an oxidizing agent. The hydrocarbons may be previously purified by sulfuric acid. In examples aqueous solutions of sodium or calcium hydrochlorite containing 1.5 to 5.0 grams per liter of available chlorine and sufficient alkali to give an excess of 0.1 percent in the spent reagent are preheated to the temperature of the vapor, and either sprayed or atomized into the vapors near the outlet of the dephlegmator or fractionating tower, or passed in countercurrent to the vapors through one or a series of scrubbers.

  7. Study of kinetics, equilibrium and isotope exchange in ion exchange systems Pt. 6

    International Nuclear Information System (INIS)

    Plicka, J.; Stamberg, K.; Cabicar, J.; Gosman, A.

    1986-01-01

    The description of kinetics of ion exchange in ternary system was based upon three Nernst-Planck equations, each of them describing the particle diffusion flux of a given counterion as an independent process. For experimental verification, the strongly acidic cation exchanger OSTION KS 08 the shallow-bed technique, and 0.2 mol x dm -3 aqueous nitrate solutions were chosen. The kinetics of ion exchange in the system of cations Na + - Mg 2+ - UO 2 2+ was studied. The values of diffusion coefficients obtained by evaluating of kinetics of isotope exchange and binary ion exchange were used for calculation. The comparison of calculated exchange rate curves with the experimental ones was made. It was found that the exchanging counterions were affected by each other. (author)

  8. The use of solvent extractions and solubility theory to discern hydrocarbon associations in coal, with application to the coal-supercritical CO2 system

    Science.gov (United States)

    Kolak, Jonathan J.; Burruss, Robert A.

    2014-01-01

    findings indicate that hydrocarbon solubility does not exert a strong influence on hydrocarbon behavior in the systems studied. Other factors such as coal composition and maceral content, surface processes (physisorption), or other molecular interactions appear to affect the partitioning of hydrocarbons within the coal–supercritical CO2 system. Resolving the extent to which these factors might affect hydrocarbon behavior under different geological settings is important to efforts seeking to model petroleum generation, fractionation and expulsion from coal beds and to delineate potential hydrocarbon fate and transport in geologic CO2 sequestration settings.

  9. Europa Kinetic Ice Penetrator System for Hyper Velocity Instrument Deposition

    Science.gov (United States)

    Robinson, Tessa

    Landing of a payload on any celestial body has only used a soft landing system. These systems use retro rockets and atmospheric components to match velocity and then overcome local gravity in order to land on the surface. This is a proposed system for depositing instrumentation on an icy surface at hypervelocity using the properties of different projectiles and ejecta properties that would negate the need for a soft landing system. This system uses two projectiles, a cylinder with inner aerodynamic surfaces and a payload section with a conical nose and aerodynamic surfaces. The cylinder lands first, creates a region of fractured ice, and directs that fractured material into a collimated ejecta stream. The payload travels through the ejecta and lands in the fractured region. The combination of the ejecta stream and the softened target material reduces the impact acceleration to within survivable levels.

  10. Nonlinear wave-beam kinetic equilibrium in decelerating systems

    International Nuclear Information System (INIS)

    Grishin, V.K.; Shaposhnikova, E.N.

    1981-01-01

    The equilibrium state of the wave-beam system arising during the interaction of a particle beam and excited electromagnetic wave has been investigated on the basis of the analysis of the exact polution of a non-linear self-consistent linear equation using the complete system of conservation laws. A waveguide with a dielectric filler, into which a monoenergetic particle beam magnetized in a transverse plane is continuously injected, is used as a model of an decelerating system. A dispersion equation describing the system state and expression for the evaluation of efficiency of the beam energy conversion to the field energy have been obtained. It is concluded that larae fields and high efficiency of energy conversion are achieved during the marked beam reconstruction. States with different values of current and beam velocity but similar amplitudes of a longitudinal field are possible in the system considered [ru

  11. Antibiotic microbial assay using kinetic-reading microplate system

    Directory of Open Access Journals (Sweden)

    Felipe Rebello Lourenço

    2011-09-01

    Full Text Available The aim of this study was to determine the optimal experimental conditions to develop a methodology for microbiological assay of apramycin employing microplate and kinetic reading mode, and to validate the developed method, through evaluation of parameters of selectivity, linearity, linear range, limits of detection and quantification, accuracy and precision. The turbidimetric assay principle is simple: the test solution is added to a suspension of test microorganism in culture media, the mixture is incubated under appropriate conditions and the microbial growth is measured by photometric reading. Microplate with kinetic reading mode employed in antibiotic assay is of considerable interest since it allows reduction of material and analysis time and enables a large number of samples to be analyzed simultaneously, with automated reading and calculating. Established conditions considered the standard-curve of apramycin at concentrations from 5.0 to 35.0 μg mL-1, and tryptic soy broth inoculated with 5% Escherichia coli (ATCC 8739 suspension. Satisfactory results were obtained with 2 hours of incubation. The developed method showed appropriate selectivity, linearity in the range from 5.0 to 35.0 μg mL-1, limits of detection and quantification of 0.1 and 0.4 μg mL-1, respectively, as well as satisfactory accuracy (recuperation = 98.5% and precision (RSD = 6.0%. Microplate assay combined the characteristics of microbiological (evaluation of antibiotic activity against sensitive test microorganism and physico-chemical (operationally straightforward and faster results assays.O objetivo deste trabalho é determinar as condições experimentais ideais para o desenvolvimento de metodologia para a dosagem microbiológica de apramicina empregando microplacas e modo de leitura cinético e validar o método desenvolvido, através da avaliação dos parâmetros de especificidade e seletividade, linearidade, faixa ou intervalo linear, limite de detecção e

  12. Comparison study of hybrid VS critical systems in point kinetics

    International Nuclear Information System (INIS)

    Ritter, G.; Tommasi, J.; Slessarev, L.; Salvatores, M.; Mouney, H.; Vergnes, J.

    1999-01-01

    An essential motivation for hybrid systems is a potentially high level of intrinsic safety against reactivity accidents. In this respect, it is necessary to assess the behaviour of an Accelerator Driven System during a TOP, LOF or TOC accident. A comparison between a critical and sub-critical reactor shows a larger sensitivity for the critical system. The ADS has an unquestionable advantage in case of TOP but a less favourable behaviour as for LOFWS type of accidents. However in the ADS cases, the beam could be easily shut off during the transient. Therefore, a part of the R and D effort should be focused on the monitoring and control of power. (author)

  13. Kinetic Integrated Thermal Protection System (KnITPS)

    Data.gov (United States)

    National Aeronautics and Space Administration — Use the flexibility and shape formation possibilities inherent in knitting to form thermal protection systems that can be custom fitted to a heat shield carrier...

  14. FLYWHEEL BASED KINETIC ENERGY RECOVERY SYSTEMS (KERS) INTEGRATED IN VEHICLES

    OpenAIRE

    THOMAS MATHEWS; NISHANTH D

    2013-01-01

    Today, many hybrid electric vehicles have been developed in order to reduce the consumption of fossil fuels; unfortunately these vehicles require electrochemical batteries to store energy, with high costs as well as poor conversion efficiencies. By integrating flywheel hybrid systems, these drawbacks can be overcome and can potentially replace battery powered hybrid vehicles cost effectively. The paper will explain the engineering, mechanics of the flywheel system and it’s working in detail. ...

  15. Physical kinetics

    International Nuclear Information System (INIS)

    Lifschitz, E.M.; Pitajewski, L.P.

    1983-01-01

    The textbook covers the subject under the following headings: kinetic gas theory, diffusion approximation, collisionless plasma, collisions within the plasma, plasma in the magnetic field, theory of instabilities, dielectrics, quantum fluids, metals, diagram technique for nonequilibrium systems, superconductors, and kinetics of phase transformations

  16. Interacting multiagent systems kinetic equations and Monte Carlo methods

    CERN Document Server

    Pareschi, Lorenzo

    2014-01-01

    The description of emerging collective phenomena and self-organization in systems composed of large numbers of individuals has gained increasing interest from various research communities in biology, ecology, robotics and control theory, as well as sociology and economics. Applied mathematics is concerned with the construction, analysis and interpretation of mathematical models that can shed light on significant problems of the natural sciences as well as our daily lives. To this set of problems belongs the description of the collective behaviours of complex systems composed by a large enough number of individuals. Examples of such systems are interacting agents in a financial market, potential voters during political elections, or groups of animals with a tendency to flock or herd. Among other possible approaches, this book provides a step-by-step introduction to the mathematical modelling based on a mesoscopic description and the construction of efficient simulation algorithms by Monte Carlo methods. The ar...

  17. The applicability of activities in kinetic expressions: a more fundamental approach to represent the kinetics of the system CO2-OH- in terms of activities

    NARCIS (Netherlands)

    Haubrock, J.; Hogendoorn, Kees; Versteeg, Geert

    2005-01-01

    In this paper the applicability of using activities instead of concentrations in kinetic expressions has been investigated using the reaction of CO2 with various hydroxide solutions as a model system. For this system it is known that when the reaction rate constant is based on the use of

  18. The applicability of activities in kinetic expressions : A more fundamental approach to represent the kinetics of the system CO2-OH- in terms of activities

    NARCIS (Netherlands)

    Haubrock, J.; Hogendoorn, J. A.; Versteeg, G. F.

    2005-01-01

    In this paper the applicability of using activities instead of concentrations in kinetic expressions has been investigated using the reaction of CO2 with various hydroxide solutions as a model system. For this system it is known that when the reaction rate constant is based on the use of

  19. The applicability of activities in kinetic expressions: A more fundamental approach to represent the kinetics of the system CO2–OH-salt in terms of activities

    NARCIS (Netherlands)

    Haubrock, J.; Hogendoorn, Kees; Versteeg, Geert

    2007-01-01

    The applicability of utilizing activities instead of concentrations in kinetic expressions has been investigated using the reaction of CO2 in sodium hydroxide solutions also containing different neutral salts (LiCl, KCl and NaCl) as model system. For hydroxide systems it is known that when the

  20. A quenched-flow system for measuring heterogeneous enzyme kinetics with sub-second time resolution

    DEFF Research Database (Denmark)

    Olsen, Johan Pelck; Kari, Jeppe; Borch, Kim

    2017-01-01

    of insoluble substrate. Perhaps for this reason, transient kinetics has rarely been reported for heterogeneous enzyme reactions. Here, we describe a quenched-flow system using peristaltic pumps and stirred substrate suspensions with a dead time below 100 ms. The general performance was verified by alkali...

  1. On the graph and systems analysis of reversible chemical reaction networks with mass action kinetics

    NARCIS (Netherlands)

    Rao, Shodhan; Jayawardhana, Bayu; Schaft, Arjan van der

    2012-01-01

    Motivated by the recent progresses on the interplay between the graph theory and systems theory, we revisit the analysis of reversible chemical reaction networks described by mass action kinetics by reformulating it using the graph knowledge of the underlying networks. Based on this formulation, we

  2. Toward a Kinetic Model for Acrylamide Formation in a Glucose-Asparagine Reaction System

    NARCIS (Netherlands)

    Knol, J.J.; Loon, W.A.M.; Linssen, J.P.H.; Ruck, A.L.; Boekel, van M.A.J.S.

    2005-01-01

    A kinetic model for the formation of acrylamide in a glucose-asparagine reaction system is pro-posed. Equimolar solutions (0.2 M) of glucose and asparagine were heated at different tempera-tures (120-200 C) at pH 6.8. Besides the reactants, acrylamide, fructose, and melanoidins were quantified after

  3. A MATHEMATICAL MODEL FOR THE KINETICS OF THE MALE REPRODUCTIVE ENDOCRINE SYSTEM

    Science.gov (United States)

    In this presentation a model for the hormonal regulation of the reproductive endocrine system in the adult male rat will be discussed. The model includes a description of the kinetics of the androgenic hormones testosterone and dihydrotestosterone, as well as the receptor-mediate...

  4. Purifying hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Dunstan, A E

    1918-06-03

    Ligroin, kerosene, and other distillates from petroleum and shale oil, are purified by treatment with a solution of a hypochlorite containing an excess of alkali. The hydrocarbon may be poured into brine, the mixture stirred, and an electric current passed through. Heat may be applied.

  5. Method of treating emissions of a hybrid vehicle with a hydrocarbon absorber and a catalyst bypass system

    Science.gov (United States)

    Roos, Bryan Nathaniel; Gonze, Eugene V; Santoso, Halim G; Spohn, Brian L

    2014-01-14

    A method of treating emissions from an internal combustion engine of a hybrid vehicle includes directing a flow of air created by the internal combustion engine when the internal combustion engine is spinning but not being fueled through a hydrocarbon absorber to collect hydrocarbons within the flow of air. When the hydrocarbon absorber is full and unable to collect additional hydrocarbons, the flow of air is directed through an electrically heated catalyst to treat the flow of air and remove the hydrocarbons. When the hydrocarbon absorber is not full and able to collect additional hydrocarbons, the flow of air is directed through a bypass path that bypasses the electrically heated catalyst to conserve the thermal energy stored within the electrically heated catalyst.

  6. Comparison Of A Neutron Kinetics Parameter For A Polyethylene Moderated Highly Enriched Uranium System

    Energy Technology Data Exchange (ETDEWEB)

    McKenzie, IV, George Espy [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Goda, Joetta Marie [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Grove, Travis Justin [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Sanchez, Rene Gerardo [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-04-17

    This paper examines the comparison of MCNP® code’s capability to calculate kinetics parameters effectively for a thermal system containing highly enriched uranium (HEU). The Rossi-α parameter was chosen for this examination because it is relatively easy to measure as well as easy to calculate using MCNP®’s kopts card. The Rossi-α also incorporates many other parameters of interest in nuclear kinetics most of which are more difficult to precisely measure. The comparison looks at two different nuclear data libraries for comparison to the experimental data. These libraries are ENDF/BVI (.66c) and ENDF/BVII (.80c).

  7. Coarsening kinetics of γ' precipitates in the Ni-Al-Mo system

    International Nuclear Information System (INIS)

    Wang Tao; Sheng Guang; Liu Zikui; Chen Longqing

    2008-01-01

    The effect of Mo on the microstructure evolution and coarsening kinetics of γ' precipitates in the Ni-Al-Mo system is studied using phase-field simulations with inputs from thermodynamic, kinetic and lattice parameter databases. For alloys of different compositions, the precipitate morphology and the statistical information of precipitate sizes are predicted as a function of annealing time. It is observed that increasing Mo content leads to a change of the precipitate morphology from being cuboidal to spherical as well as a reduction in the coarsening rate. Comparison between simulated results and existing experimental microstructure morphologies and coarsening rates shows good agreements

  8. Using linear time-invariant system theory to estimate kinetic parameters directly from projection measurements

    International Nuclear Information System (INIS)

    Zeng, G.L.; Gullberg, G.T.

    1995-01-01

    It is common practice to estimate kinetic parameters from dynamically acquired tomographic data by first reconstructing a dynamic sequence of three-dimensional reconstructions and then fitting the parameters to time activity curves generated from the time-varying reconstructed images. However, in SPECT, the pharmaceutical distribution can change during the acquisition of a complete tomographic data set, which can bias the estimated kinetic parameters. It is hypothesized that more accurate estimates of the kinetic parameters can be obtained by fitting to the projection measurements instead of the reconstructed time sequence. Estimation from projections requires the knowledge of their relationship between the tissue regions of interest or voxels with particular kinetic parameters and the project measurements, which results in a complicated nonlinear estimation problem with a series of exponential factors with multiplicative coefficients. A technique is presented in this paper where the exponential decay parameters are estimated separately using linear time-invariant system theory. Once the exponential factors are known, the coefficients of the exponentials can be estimated using linear estimation techniques. Computer simulations demonstrate that estimation of the kinetic parameters directly from the projections is more accurate than the estimation from the reconstructed images

  9. Kinetics of a new phase formation in supersaturated solid solutions. 1. Dilute one-component systems

    International Nuclear Information System (INIS)

    Dubinko, V.I.

    1991-07-01

    A complete set of kinetic equations describing the diffusion decay of supersaturated solutions, as well as the formation of new-phase fluctuations in equilibrium systems, is derived. A novel method of determining forward and backward reaction rates entering the master equation is proposed which does not require the use of any reference cluster size distribution, either the constrained or the true equilibrium one, employed in all modifications of the classical nucleation theory. Instead, this reference distribution can be obtained as an equilibrium solution of the present master equation. The main advantage of this method is the possibility to take into account various factors affecting the diffusion decay, such as the reaction kinetics at the precipitate surfaces and the diffusion kinetics in the mother phase with account of elastic interaction between nucleating species and their clusters. The latter is of a key importance in the irradiation environment considered in the forthcoming second part of the article. (author). 3 refs

  10. Multiresponse kinetic modelling of Maillard reaction and caramelisation in a heated glucose/wheat flour system.

    Science.gov (United States)

    Kocadağlı, Tolgahan; Gökmen, Vural

    2016-11-15

    The study describes the kinetics of the formation and degradation of α-dicarbonyl compounds in glucose/wheat flour system heated under low moisture conditions. Changes in the concentrations of glucose, fructose, individual free amino acids, lysine and arginine residues, glucosone, 1-deoxyglucosone, 3-deoxyglucosone, 3,4-dideoxyglucosone, 5-hydroxymethyl-2-furfural, glyoxal, methylglyoxal and diacetyl concentrations were determined to form a multiresponse kinetic model for isomerisation and degradation reactions of glucose. Degradation of Amadori product mainly produced 1-deoxyglucosone. Formation of 3-deoxyglucosone proceeded directly from glucose and also Amadori product degradation. Glyoxal formation was predominant from glucosone while methylglyoxal and diacetyl originated from 1-deoxyglucosone. Formation of 5-hydroxymethyl-2-furfural from fructose was found to be a key step. Multi-response kinetic modelling of Maillard reaction and caramelisation simultaneously indicated quantitatively predominant parallel and consecutive pathways and rate limiting steps by estimating the reaction rate constants. Copyright © 2016 Elsevier Ltd. All rights reserved.

  11. Kinetic theory of a longitudinally expanding system of scalar particles

    International Nuclear Information System (INIS)

    Epelbaum, Thomas; Gelis, François; Jeon, Sangyong; Moore, Guy; Wu, Bin

    2015-01-01

    A simple kinematical argument suggests that the classical approximation may be inadequate to describe the evolution of a system with an anisotropic particle distribution. In order to verify this quantitatively, we study the Boltzmann equation for a longitudinally expanding system of scalar particles interacting with a ϕ 4 coupling, that mimics the kinematics of a heavy ion collision at very high energy. We consider only elastic 2→2 scatterings, and we allow the formation of a Bose-Einstein condensate in overpopulated situations by solving the coupled equations for the particle distribution and the particle density in the zero mode. For generic CGC-like initial conditions with a large occupation number, the solutions of the full Boltzmann equation cease to display the classical attractor behavior sooner than expected; for moderate coupling, the solutions appear never to follow a classical attractor solution.

  12. Interacting systems far from equilibrium quantum kinetic theory

    CERN Document Server

    Morawetz, Klaus

    2018-01-01

    This book presents an up-to-date formalism of non-equilibrium Green's functions covering different applications ranging from solid state physics, plasma physics, cold atoms in optical lattices up to relativistic transport and heavy ion collisions. Within the Green's function formalism, the basic sets of equations for these diverse systems are similar, and approximations developed in one field can be adapted to another field. The central object is the self-energy which includes all non-trivial aspects of the system dynamics. The focus is therefore on microscopic processes starting from elementary principles for classical gases and the complementary picture of a single quantum particle in a random potential. This provides an intuitive picture of the interaction of a particle with the medium formed by other particles, on which the Green's function is built on.

  13. The theory of dissipative structures of the kinetic system for defects of nonlinear physical system 'metal+loading+irradiation'. Part 3

    International Nuclear Information System (INIS)

    Tarasov, V.A.; Borikov, T.L.; Kryzhanovskaya, T.V.; Chernezhenko, S.A.; Rusov, V.D.

    2007-01-01

    The kinetic system for defects of physical nonlinear system 'metal + load + irradiation' is specified [1, 2, 3]. Developing the approaches offered in [4], where distinctions of mechanisms of radiating creep and areas of their applicability are formalized (depending on external parameters) for fuel and constructional metals, division of kinetic systems for defects of constructional and fuel metals is carrying out. Thus the accent on the autocatalytic features of kinetic system for defects of reactor fuel metals, resulting from the exoenergic autocatalytic character of nuclear fission reactions being the main point defect source is done. In this part of the article the basic attention is given to the kinetic of sink drains for point defects. For kinetic systems of sinks-sources new approaches for the task of boundary conditions are offered. The possible structure of the computer program modelling kinetic system for defects of nonlinear physical system 'metal + load + irradiation' is considered

  14. A benchmark for coupled thermohydraulics system/three-dimensional neutron kinetics core models

    International Nuclear Information System (INIS)

    Kliem, S.

    1999-01-01

    During the last years 3D neutron kinetics core models have been coupled to advanced thermohydraulics system codes. These coupled codes can be used for the analysis of the whole reactor system. Although the stand-alone versions of the 3D neutron kinetics core models and of the thermohydraulics system codes generally have a good verification and validation basis, there is a need for additional validation work. This especially concerns the interaction between the reactor core and the other components of a nuclear power plant (NPP). In the framework of the international 'Atomic Energy Research' (AER) association on VVER Reactor Physics and Reactor Safety, a benchmark for these code systems was defined. (orig.)

  15. RIA system programming by means of kinetic parameters

    Energy Technology Data Exchange (ETDEWEB)

    Silberring, J; Golda, W [Akademia Medyczna, Krakow (Poland). Dept. of Endocrinology and Metabolism

    1979-12-01

    Insulin-/sup 125/I antibody reaction was optimized by physical-chemical parameters. After the activation energies Esub(a) and Esub(d)-for association and association, respectively were calculated from the experimental data, the theoretical values of the reaction rate constants ksub(a) and ksub(d) were determined as well as equilibrium constants K. By means of the empirical formulae, the approximate incubation time for the RIA kit and maximal percent of insulin-/sup 125/I binding to antibody (%B) in relation to temperature were computed. The proposed method may be applied to the new antigen-binder systems preparation (new antibodies, shortening of the incubation time, temperature changes, influence of different ions and kind of buffer). (orig.) 891 MG/orig. 892 MBE.

  16. The Control Based on Internal Average Kinetic Energy in Complex Environment for Multi-robot System

    Science.gov (United States)

    Yang, Mao; Tian, Yantao; Yin, Xianghua

    In this paper, reference trajectory is designed according to minimum energy consumed for multi-robot system, which nonlinear programming and cubic spline interpolation are adopted. The control strategy is composed of two levels, which lower-level is simple PD control and the upper-level is based on the internal average kinetic energy for multi-robot system in the complex environment with velocity damping. Simulation tests verify the effectiveness of this control strategy.

  17. Enabling kinetic micro-penetrator technology for Solar System research

    Science.gov (United States)

    Gowen, R. A.

    2008-09-01

    Whilst the concept of high speed impacting penetrator probes is not new, recent highly successful ground test results have considerably improved the perception that these can be a viable and useful addition to the current toolbox of planetary probes. Previous developments only led to a single deployment (Deep Space-2 to Mars on the ill fated NASA Mars Polar Lander mission in 1999) where neither the soft lander nor penetrator was ever heard from, which is not a logical basis for dismissing penetrator technology. Other space penetrator programmes have included the Russian Mars'96 ~80m/s penetrators for which the whole mission was lost before the spacecraft left Earth orbit, and the Japanese Lunar-A program which was cancelled after a lengthy development program which however saw multiple successful ground trials. The Japanese penetrators were designed for ~300m/s impact. The current UK penetrator developments are actively working towards full space qualification for a Lunar penetrators (MoonLITE mission), which would also provide a significant technical demonstration towards the development of smaller, shorter lived penetrators for exploring other solar system objects. We are advocating delivered micro-penetrators in the mass range ~4-10Kg, (preceded by ~13Kg Lunar penetrator MoonLITE development program), impacting at around 100-500m/s and carrying a scientific payload of around 2Kg. Additional mass is required to deliver the probes from `orbit' to surface which is dependent upon the particular planetary body in question. The mass per descent module therefore involves and additional element which, for a descent through an atmosphere could be quite modest, while for a flyby deployment, can be substantial. For Europa we estimate a descent module mass of ~13 Kg, while for Enceladus the value is ~40Kg for Enceladus since a deceleration of ~3.8 kms-1 is needed from a Titan orbit. The delivery system could consist of a rocket deceleration motor and attitude control system

  18. National Gas Hydrate Program Expedition 01 offshore India; gas hydrate systems as revealed by hydrocarbon gas geochemistry

    Science.gov (United States)

    Lorenson, Thomas; Collett, Timothy S.

    2018-01-01

    The National Gas Hydrate Program Expedition 01 (NGHP-01) targeted gas hydrate accumulations offshore of the Indian Peninsula and along the Andaman convergent margin. The primary objectives of coring were to understand the geologic and geochemical controls on the accumulation of methane hydrate and their linkages to underlying petroleum systems. Four areas were investigated: 1) the Kerala-Konkan Basin in the eastern Arabian Sea, 2) the Mahanadi and 3) Krishna-Godavari Basins in the western Bay of Bengal, and 4) the Andaman forearc Basin in the Andaman Sea.Upward flux of methane at three of the four of the sites cored during NGHP-01 is apparent from the presence of seafloor mounds, seismic evidence for upward gas migration, shallow sub-seafloor geochemical evidence of methane oxidation, and near-seafloor gas composition that resembles gas from depth.The Kerala-Konkan Basin well contained only CO2 with no detectable hydrocarbons suggesting there is no gas hydrate system here. Gas and gas hydrate from the Krishna-Godavari Basin is mainly microbial methane with δ13C values ranging from −58.9 to −78.9‰, with small contributions from microbial ethane (−52.1‰) and CO2. Gas from the Mahanadi Basin was mainly methane with lower concentrations of C2-C5 hydrocarbons (C1/C2 ratios typically >1000) and CO2. Carbon isotopic compositions that ranged from −70.7 to −86.6‰ for methane and −62.9 to −63.7‰ for ethane are consistent with a microbial gas source; however deeper cores contained higher molecular weight hydrocarbon gases suggesting a small contribution from a thermogenic gas source. Gas composition in the Andaman Basin was mainly methane with lower concentrations of ethane to isopentane and CO2, C1/C2 ratios were mainly >1000 although deeper samples were compositions range from −65.2 to −80.7‰ for methane, −53.1 to −55.2‰ for ethane is consistent with mainly microbial gas sources, although one value recorded of −35.4‰ for propane

  19. The soliton solution of BBGKY quantum kinetic equations chain for different type particles system

    International Nuclear Information System (INIS)

    Rasulova, M.Yu.; Avazov, U.; Hassan, T.

    2006-12-01

    In the present paper on the basis of BBGKY chain of quantum kinetic equations the chain of equations for correlation matrices is derived, describing the evolution of a system of different types particles, which interact by pair potential. The series, which is the solution of this chain of equations for correlation matrices, is suggested. Using this series the solution of the last chain of equations is reduced to a solution of a set of homogeneous and nonhomogeneous von-Neumann's kinetic equations (analogue of Vlasov equations for quantum case). The first and second equations of this set of equations coincide with the first and second kinetic equations of the set, which is used in plasma physics. For an potential in the form of Dirac delta function, the solution of von-Neumann equation is defined through soliton solution of nonlinear Schrodinger equations. Based on von-Neumann equation one can define all terms of series, which is a solution of a chain of equations for correlation matrices. On the basis of these correlation matrices for a system of different types of particles we can define exact solution of BBGKY chain of quantum kinetic equations

  20. Numerical simulation of stochastic point kinetic equation in the dynamical system of nuclear reactor

    International Nuclear Information System (INIS)

    Saha Ray, S.

    2012-01-01

    Highlights: ► In this paper stochastic neutron point kinetic equations have been analyzed. ► Euler–Maruyama method and Strong Taylor 1.5 order method have been discussed. ► These methods are applied for the solution of stochastic point kinetic equations. ► Comparison between the results of these methods and others are presented in tables. ► Graphs for neutron and precursor sample paths are also presented. -- Abstract: In the present paper, the numerical approximation methods, applied to efficiently calculate the solution for stochastic point kinetic equations () in nuclear reactor dynamics, are investigated. A system of Itô stochastic differential equations has been analyzed to model the neutron density and the delayed neutron precursors in a point nuclear reactor. The resulting system of Itô stochastic differential equations are solved over each time-step size. The methods are verified by considering different initial conditions, experimental data and over constant reactivities. The computational results indicate that the methods are simple and suitable for solving stochastic point kinetic equations. In this article, a numerical investigation is made in order to observe the random oscillations in neutron and precursor population dynamics in subcritical and critical reactors.

  1. Elucidation of molecular kinetic schemes from macroscopic traces using system identification.

    Directory of Open Access Journals (Sweden)

    Miguel Fribourg

    2017-02-01

    Full Text Available Overall cellular responses to biologically-relevant stimuli are mediated by networks of simpler lower-level processes. Although information about some of these processes can now be obtained by visualizing and recording events at the molecular level, this is still possible only in especially favorable cases. Therefore the development of methods to extract the dynamics and relationships between the different lower-level (microscopic processes from the overall (macroscopic response remains a crucial challenge in the understanding of many aspects of physiology. Here we have devised a hybrid computational-analytical method to accomplish this task, the SYStems-based MOLecular kinetic scheme Extractor (SYSMOLE. SYSMOLE utilizes system-identification input-output analysis to obtain a transfer function between the stimulus and the overall cellular response in the Laplace-transformed domain. It then derives a Markov-chain state molecular kinetic scheme uniquely associated with the transfer function by means of a classification procedure and an analytical step that imposes general biological constraints. We first tested SYSMOLE with synthetic data and evaluated its performance in terms of its rate of convergence to the correct molecular kinetic scheme and its robustness to noise. We then examined its performance on real experimental traces by analyzing macroscopic calcium-current traces elicited by membrane depolarization. SYSMOLE derived the correct, previously known molecular kinetic scheme describing the activation and inactivation of the underlying calcium channels and correctly identified the accepted mechanism of action of nifedipine, a calcium-channel blocker clinically used in patients with cardiovascular disease. Finally, we applied SYSMOLE to study the pharmacology of a new class of glutamate antipsychotic drugs and their crosstalk mechanism through a heteromeric complex of G protein-coupled receptors. Our results indicate that our methodology

  2. Kinetic Interface

    DEFF Research Database (Denmark)

    2009-01-01

    A kinetic interface for orientation detection in a video training system is disclosed. The interface includes a balance platform instrumented with inertial motion sensors. The interface engages a participant's sense of balance in training exercises.......A kinetic interface for orientation detection in a video training system is disclosed. The interface includes a balance platform instrumented with inertial motion sensors. The interface engages a participant's sense of balance in training exercises....

  3. Influence of performance characteristic of a gaseous fuel supply system on hydrocarbon emissions of a dual-fuel engine

    Energy Technology Data Exchange (ETDEWEB)

    Ren, J.; Wang, Z.Y.; Zhong, H.; Hao, S.H. [Xi' an Jiaotong Univ., Dept. of Automobile Engineering, Xi' an (China)

    2000-11-01

    The performance of the gaseous fuel supply and its influence on hydrocarbon (HC) emissions of dual-fuel engines have been investigated. A new design of manifold respirators with mixers is also presented in the paper. The design of the gaseous fuel supply system has a great influence on HC emissions in the dual-fuel engine at light load. The problem of scavenging is discussed and solved by using the manifold respirators in the dual-fuel engine. It performs the function of retarding the gaseous fuel entry timing from the moment of intake valve opening, and its delaying effects have been measured and tested. Experimental results show that the manifold respirator gives the best performance in reducing HC emissions compared with a common pipe mixer and a respirator with bo miser. In addition, the mixing effects are sensitive to the mixer configuration. (Author)

  4. In-situ study of hydriding kinetics in Pd-based thin film systems

    Energy Technology Data Exchange (ETDEWEB)

    Delmelle, Renaud; Proost, Joris [Univ. Catholique de Louvain, Louvain-la-Neuve (Belgium). Div. of Materials and Process Engineering

    2010-07-01

    The hydriding kinetics of Pd thin films has been investigated in detail. The key experimental technique used in this work consists of a high resolution curvature measurement setup, which continuously monitors the reflections of multiple laser beams coming off a cantilevered sample. After mounting the sample inside a vacuum chamber, a H-containing gas mixture is introduced to instantaneously generate a given hydrogen partial pressure (p{sub H2}) inside the chamber. The resulting interaction of H with the Pd layer then leads to a volume expansion of the thin film system. This induces in turn changes in the sample curvature as a result of internal stresses developing in the Pd film during a hydriding cycle. Based on such curvature date obtained in-situ at different p{sub H2}, a two-step model for the kinetics of Pd-hydride formation has been proposed and expressions for the hydrogen adsorption and absorption velocities have been derived. The rate-limiting steps have been identified by studying the p{sub H2}-dependence of these velocities. Furthermore, from our in-situ experimental data, relevant kinetic parameters have been calculated. The effect of dry air exposure of the Pd films on the hydriding kinetics has been considered as well. (orig.)

  5. Systems biology from micro-organisms to human metabolic diseases: the role of detailed kinetic models.

    Science.gov (United States)

    Bakker, Barbara M; van Eunen, Karen; Jeneson, Jeroen A L; van Riel, Natal A W; Bruggeman, Frank J; Teusink, Bas

    2010-10-01

    Human metabolic diseases are typically network diseases. This holds not only for multifactorial diseases, such as metabolic syndrome or Type 2 diabetes, but even when a single gene defect is the primary cause, where the adaptive response of the entire network determines the severity of disease. The latter may differ between individuals carrying the same mutation. Understanding the adaptive responses of human metabolism naturally requires a systems biology approach. Modelling of metabolic pathways in micro-organisms and some mammalian tissues has yielded many insights, qualitative as well as quantitative, into their control and regulation. Yet, even for a well-known pathway such as glycolysis, precise predictions of metabolite dynamics from experimentally determined enzyme kinetics have been only moderately successful. In the present review, we compare kinetic models of glycolysis in three cell types (African trypanosomes, yeast and skeletal muscle), evaluate their predictive power and identify limitations in our understanding. Although each of these models has its own merits and shortcomings, they also share common features. For example, in each case independently measured enzyme kinetic parameters were used as input. Based on these 'lessons from glycolysis', we will discuss how to make best use of kinetic computer models to advance our understanding of human metabolic diseases.

  6. The shock tube as wave reactor for kinetic studies and material systems

    Energy Technology Data Exchange (ETDEWEB)

    Bhaskaran, K.A. [Indian Institute of Technology, Chennai (India). Department of Mechanical Engineering; Roth, P. [Gerhard Mercator Universitat, Duisberg (Germany). Institut fur Verbrennung und Gasdynamik

    2002-07-01

    Several important reviews of shock tube kinetics have appeared earlier, prominent among them being 'Shock Tube Technique in Chemical Kinetics' by Belford and Strehlow (Ann Rev Phys Chem 20 (1969) 247), 'Chemical Reaction of Shock Waves' by Wagner (Proceedings of the Eighth International Shock Tube Symposium (1971) 4/1), 'Shock Tube and Shock Wave Research' by Bauer and Lewis (Proceedings of the 11th International Symposium on Shock Tubes and Waves (1977) 269), 'Shock Waves in Chemistry' edited by Assa Lifshitz (Shock Waves in Chemistry, 1981) and 'Shock Tube Techniques in Chemical Kinetics' by Wing Tsang and Assa Lifshitz (Annu Rev Phys Chem 41 (1990) 559). A critical analysis of the different shock tube techniques, their limitations and suggestions to improve the accuracy of the data produced are contained in these reviews. The purpose of this article is to present the current status of kinetic research with emphasis on the diagnostic techniques. Selected studies on homogeneous and dispersed systems are presented to bring out the versatility of the shock tube technique. The use of the shock tube as high temperature wave reactor for gas phase material synthesis is also highlighted. (author)

  7. Classical Michaelis-Menten and system theory approach to modeling metabolite formation kinetics.

    Science.gov (United States)

    Popović, Jovan

    2004-01-01

    When single doses of drug are administered and kinetics are linear, techniques, which are based on the compartment approach and the linear system theory approach, in modeling the formation of the metabolite from the parent drug are proposed. Unlike the purpose-specific compartment approach, the methodical, conceptual and computational uniformity in modeling various linear biomedical systems is the dominant characteristic of the linear system approach technology. Saturation of the metabolic reaction results in nonlinear kinetics according to the Michaelis-Menten equation. The two compartment open model with Michaelis-Menten elimination kinetics is theorethicaly basic when single doses of drug are administered. To simulate data or to fit real data using this model, one must resort to numerical integration. A biomathematical model for multiple dosage regimen calculations of nonlinear metabolic systems in steady-state and a working example with phenytoin are presented. High correlation between phenytoin steady-state serum levels calculated from individual Km and Vmax values in the 15 adult epileptic outpatients and the observed levels at the third adjustment of phenytoin daily dose (r=0.961, p<0.01) were found.

  8. An new MHD/kinetic model for exploring energetic particle production in macro-scale systems

    Science.gov (United States)

    Drake, J. F.; Swisdak, M.; Dahlin, J. T.

    2017-12-01

    A novel MHD/kinetic model is being developed to explore magneticreconnection and particle energization in macro-scale systems such asthe solar corona and the outer heliosphere. The model blends the MHDdescription with a macro-particle description. The rationale for thismodel is based on the recent discovery that energetic particleproduction during magnetic reconnection is controlled by Fermireflection and Betatron acceleration and not parallel electricfields. Since the former mechanisms are not dependent on kineticscales such as the Debye length and the electron and ion inertialscales, a model that sheds these scales is sufficient for describingparticle acceleration in macro-systems. Our MHD/kinetic model includesmacroparticles laid out on an MHD grid that are evolved with the MHDfields. Crucially, the feedback of the energetic component on the MHDfluid is included in the dynamics. Thus, energy of the total system,the MHD fluid plus the energetic component, is conserved. The systemhas no kinetic scales and therefore can be implemented to modelenergetic particle production in macro-systems with none of theconstraints associated with a PIC model. Tests of the new model insimple geometries will be presented and potential applications will bediscussed.

  9. Distribution of MEG and methanol in well-defined hydrocarbon and water systems: Experimental measurement and modeling using the CPA EoS

    DEFF Research Database (Denmark)

    Riaz, Muhammad; Yussuf, Mustafe A.; Kontogeorgis, Georgios

    2013-01-01

    + water. These data are satisfactorily correlated (binaries) and predicted (ternaries) using Cubic Plus Association (CPA) equation of state (EoS). CPA is also applied to binary LLE of aromatic hydrocarbon + water and VLE of methane + methanol. Finally the distribution of water and inhibitors (methanol...... and MEG) in various phases is modeled using CPA. The hydrocarbon phase consists of mixture-1 (methane, ethane, n-butane) or mixture-2 (methane, ethane, propane, n-butane, n-heptane, toluene and n-decane). CPA can satisfactorily predict the water content in the gas phase of the multicomponent systems...

  10. Kinetics and mechanism of thermal processes of nonreversible decomposition of the system N2O4-NO

    International Nuclear Information System (INIS)

    Nesterenko, V.B.; Nichipor, G.V.

    1989-01-01

    Consideration is given to kinetics and mechanism of decomposition of nitrogen oxide in gaseous phase at devated pressures and temperature, decomposition of N 2 O 4 -NO system under flow conditions, as well as to kinetics and mechanism of formation of nitrons oxide. 37 refs.; 13 figs.; 13 tabs

  11. Kinetic model for predicting the composition of chlorinated water discharged from power plant cooling systems

    International Nuclear Information System (INIS)

    Lietzke, M.H.

    1977-01-01

    A kinetic model for predicting the composition of chlorinated water discharged from power plant cooling systems has been developed. The model incorporates the most important chemical reactions that are known to occur when chlorine is added to natural fresh waters. The simultaneous differential equations, which describe the rates of these chemical reactions, are solved numerically to give the composition of the water as a function of time. A listing of the computer program is included, along with a description of the input variables. A worked-out example illustrates the application of the program to an actual cooling system. An appendix contains a compilation of the known equilibrium and kinetic data for many of the chemical reactions that might be encountered in chlorinating natural fresh waters

  12. Experimental study on thermophysical and kinetic properties of the LaNi5-H2 system

    International Nuclear Information System (INIS)

    Yoshida, A.; Naka, A.; Ohkita, T.

    1991-01-01

    This paper reports on thermophysical and kinetic properties of the LaNi 5 -H 2 system that were investigated for the practical utilization of hydriding alloys. Measurements of the thermophysical properties were carried out by a transient hot-wire method along the P-C isotherms. The effective thermal conductivities of the system increase not only with an increase of hydrogen gas pressure but also in the plateau region with an increase of composition of metal hydride. The specific heats of the metal hydride increase with an increase in composition. The kinetic properties were measured under both isobaric and isothermal conditions. The derived intrinsic chemical reaction rates indicate a difference in the reaction mechanism between the absorption and the desorption processes

  13. Kinetic models for nitrogen inhibition in ANAMMOX and nitrification process on deammonification system at room temperature.

    Science.gov (United States)

    De Prá, Marina C; Kunz, Airton; Bortoli, Marcelo; Scussiato, Lucas A; Coldebella, Arlei; Vanotti, Matias; Soares, Hugo M

    2016-02-01

    In this study were fitted the best kinetic model for nitrogen removal inhibition by ammonium and/or nitrite in three different nitrogen removal systems operated at 25 °C: a nitrifying system (NF) containing only ammonia oxidizing bacteria (AOB), an ANAMMOX system (AMX) containing only ANAMMOX bacteria, and a deammonification system (DMX) containing both AOB and ANAMMOX bacteria. NF system showed inhibition by ammonium and was best described by Andrews model. The AMX system showed a strong inhibition by nitrite and Edwards model presented a best system representation. For DMX system, the increased substrate concentration (until 1060 mg NH3-N/L) tested was not limiting for the ammonia consumption rate and the Monod model was the best model to describe this process. The AOB and ANAMMOX sludges combined in the DMX system displayed a better activity, substrate affinity and excellent substrate tolerance than in nitrifying and ANAMMOX process. Copyright © 2015 Elsevier Ltd. All rights reserved.

  14. Kinetics of glycoalkaloid hydrolysis and solanidine extraction in liquid-liquid systems

    Directory of Open Access Journals (Sweden)

    Stanković Mihajlo Z.

    2002-01-01

    Full Text Available The kinetics of glycoalkaloid hydrolysis and solanidine extraction in Analyzed in this study. obtained from dried and milled potato haulm to to which hydrochlotic acid was added is the first liquid phase, while chloroform trichloroethylene or carbon tetrachlondeisthe second organic, liquid phase. The purpose of this paper was to combine the processes of glycoalkaloid hydrolysis to solanidine and solanidine extraction into one step, and to find the optimal liquid-liquid system for such a process.

  15. Understanding system dynamics of an adaptive enzyme network from globally profiled kinetic parameters.

    Science.gov (United States)

    Chiang, Austin W T; Liu, Wei-Chung; Charusanti, Pep; Hwang, Ming-Jing

    2014-01-15

    A major challenge in mathematical modeling of biological systems is to determine how model parameters contribute to systems dynamics. As biological processes are often complex in nature, it is desirable to address this issue using a systematic approach. Here, we propose a simple methodology that first performs an enrichment test to find patterns in the values of globally profiled kinetic parameters with which a model can produce the required system dynamics; this is then followed by a statistical test to elucidate the association between individual parameters and different parts of the system's dynamics. We demonstrate our methodology on a prototype biological system of perfect adaptation dynamics, namely the chemotaxis model for Escherichia coli. Our results agreed well with those derived from experimental data and theoretical studies in the literature. Using this model system, we showed that there are motifs in kinetic parameters and that these motifs are governed by constraints of the specified system dynamics. A systematic approach based on enrichment statistical tests has been developed to elucidate the relationships between model parameters and the roles they play in affecting system dynamics of a prototype biological network. The proposed approach is generally applicable and therefore can find wide use in systems biology modeling research.

  16. A model stomach system to investigate disintegration kinetics of solid foods during gastric digestion.

    Science.gov (United States)

    Kong, F; Singh, R P

    2008-06-01

    Knowledge of the disintegration kinetics of food particulates in the human stomach is essential for assessing the bioaccessibility of nutrients in solid foods and understanding stomach emptying. The objective of this study was to develop a model stomach system and to investigate the kinetics of food disintegration. Our system consisted mainly of a turntable and a jacketed glass chamber containing simulated gastric juice in which plastic beads were added to simulate food particulates as well as provide a suitable mechanical destructive force on food samples. The mechanical force on the samples was simultaneously measured using the load cell of a TA-XT2 texture analyzer. Cylindrical carrots and ham samples were used as representative foods. The system is capable of simulating the in vivo stomach in terms of providing a wide range of continuous and periodic forces comparable to those measured in vivo. The modified power exponential function of the form y(t)= 1 - (1 -e(-kt))(beta), where y(t) is the mass retention ratio at time t, provided a reasonable description for the disintegration performance of tested foods. The mass retention curve can be either a sigmoidal decay with an initial delay or an exponential decay, which are decided largely by the hardness of the foods during digestion and the extent of physical force acting on the foods. A good match was observed between the kinetics of food disintegration and in vivo stomach emptying.

  17. Syngas Conversion to Gasoline-Range Hydrocarbons over Pd/ZnO/Al2O3 and ZSM-5 Composite Catalyst System

    Energy Technology Data Exchange (ETDEWEB)

    Dagle, Robert A.; Lizarazo Adarme, Jair A.; Lebarbier, Vanessa MC; Gray, Michel J.; White, James F.; King, David L.; Palo, Daniel R.

    2014-07-01

    A composite Pd/ZnO/Al2O3-HZSM-5 (Si/Al=40) catalytic system was evaluated for the synthesis of gasoline-range hydrocarbons directly from synthesis gas. Bifunctional catalyst comprising PdZn metal and acid sites present the required catalytically active sites necessary for the methanol synthesis, methanol dehydration, and methanol-to-gasoline reactions. This system provides a unique catalytic pathway for the production of liquid hydrocarbons directly from syngas. However, selectivity control is difficult and poses many challenges. The composite catalytic system was evaluated under various process conditions. Investigated were the effects of temperature (310-375oC), pressure (300-1000 psig), time-on-stream (50 hrs), and gas-hour space velocity (740-2970 hr-1), using a H2/CO molar syngas ratio of 2.0. By operating at the lower end of the temperature range investigated, liquid hydrocarbon formation was favored, as was decreased amounts of undesirable light hydrocarbons. However, lower operating temperatures also facilitated undesirable CO2 formation via the water-gas shift reaction. Higher operating pressures slightly favored liquid synthesis. Operating at relatively low pressures (e.g. 300 psig) was made possible, whereas for methanol synthesis alone higher pressure are usually required to achieve similar conversion levels (e.g. 1000 psig). Thermodynamic constraints on methanol synthesis are eased by pushing the equilibrium through hydrocarbon formation. Catalytic performance was also evaluated by altering Pd and Zn composition of the Pd/ZnO/Al2O3 catalyst. Of the catalysts and conditions tested, selectivity toward liquid hydrocarbon was highest when using a 5% Pd metal loading and Pd/Zn molar ratio of 0.25 and mixed with HZMS-5, operating at 310oC and 300 psig, CO conversion was 43 % and selectivity (carbon weight basis) to hydrocarbons was 49 wt. %. Of the hydrocarbon fraction, 44wt. % was in the C5-C12 liquid product range and consisted primarily of aromatic

  18. Cracking hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Forwood, G F; Lane, M; Taplay, J G

    1921-10-07

    In cracking and hydrogenating hydrocarbon oils by passing their vapors together with steam over heated carbon derived from shale, wood, peat or other vegetable or animal matter, the gases from the condenser are freed from sulfuretted hydrogen, and preferably also from carbon dioxide, and passed together with oil vapors and steam through the retort. Carbon dioxide may be removed by passage through slaked lime, and sulfuretted hydrogen by means of hydrated oxide of iron. Vapors from high-boiling oils and those from low-boiling oils are passed alternately through the retort, so that carbon deposited from the high-boiling oils is used up during treatment of low-boiling oils.

  19. Distilling hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Bataafsche, N V; de Brey, J H.C.

    1918-10-30

    Hydrocarbons containing a very volatile constituent and less volatile constituents, such as casing-head gases, still gases from the distillation of crude petroleum and bituminous shale are separated into their constituents by rectification under pressure; a pressure of 20 atmospheres and limiting temperatures of 150/sup 0/C and 40/sup 0/C are mentioned as suitable. The mixture may be subjected to a preliminary treatment consisting in heating to a temperature below the maximum rectification temperature at a pressure greater than that proposed to be used in the rectification.

  20. Accumulation, allocation, and risk assessment of polycyclic aromatic hydrocarbons (PAHs in soil-Brassica chinensis system.

    Directory of Open Access Journals (Sweden)

    Juan Zhang

    Full Text Available Farmland soil and leafy vegetables accumulate more polycyclic aromatic hydrocarbons (PAHs in suburban sites. In this study, 13 sampling areas were selected from vegetable fields in the outskirts of Xi'an, the largest city in northwestern China. The similarity of PAH composition in soil and vegetation was investigated through principal components analysis and redundancy analysis (RDA, rather than discrimination of PAH congeners from various sources. The toxic equivalent quantity of PAHs in soil ranged from 7 to 202 μg/kg d.w., with an average of 41 μg/kg d.w., which exceeded the agricultural/horticultural soil acceptance criteria for New Zealand. However, the cancer risk level posed by combined direct ingestion, dermal contact, inhalation of soil particles, and inhalation of surface soil vapor met the rigorous international criteria (1 × 10(-6. The concentration of total PAHs was (1052 ± 73 μg/kg d.w. in vegetation (mean ± standard error. The cancer risks posed by ingestion of vegetation ranged from 2×10-5 to 2 × 10(-4 with an average of 1.66 × 10(-4, which was higher than international excess lifetime risk limits for carcinogens (1 × 10(-4. The geochemical indices indicated that the PAHs in soil and vegetables were mainly from vehicle and crude oil combustion. Both the total PAHs in vegetation and bioconcentration factor for total PAHs (the ratio of total PAHs in vegetation to total PAHs in soil increased with increasing pH as well as decreasing sand in soil. The total variation in distribution of PAHs in vegetation explained by those in soil reached 98% in RDA, which was statistically significant based on Monte Carlo permutation. Common pollution source and notable effects of soil contamination on vegetation would result in highly similar distribution of PAHs in soil and vegetation.

  1. Effect of kinetic properties of extraction systems on separation of some elements by liquid chromatography method with free fixed phase

    International Nuclear Information System (INIS)

    Fedotov, P.S.; Maryutina, T.A.; Pichugin, A.A.; Spivakov, B.Ya.

    1993-01-01

    Effect of kinetic properties of a series of extraction systems on the separation of certain elements by the method of liquid chromatography with free fixed phase is considered. Chromatographic behaviour of europium 3 and iron 3 ions when using systems based on di-2-ethylhexylphosphovers acid and tetraphenylmethylenediphosphine dioxide is investigated. Kinetic properties of the extraction systems used are studied by diffusion cell method with mixing, europium 3 and iron 3 mass transfer coefficients are determined

  2. Optrode for sensing hydrocarbons

    Science.gov (United States)

    Miller, H.; Milanovich, F.P.; Hirschfeld, T.B.; Miller, F.S.

    1988-09-13

    A two-phase system employing the Fujiwara reaction is provided for the fluorometric detection of halogenated hydrocarbons. A fiber optic is utilized to illuminate a column of pyridine trapped in a capillary tube coaxially attached at one end to the illuminating end of the fiber optic. A strongly alkaline condition necessary for the reaction is maintained by providing a reservoir of alkali in contact with the column of pyridine, the surface of contact being adjacent to the illuminating end of the fiber optic. A semipermeable membrane caps the other end of the capillary tube, the membrane being preferentially permeable to the halogenated hydrocarbon and but preferentially impermeable to water and pyridine. As the halogenated hydrocarbon diffuses through the membrane and into the column of pyridine, fluorescent reaction products are formed. Light propagated by the fiber optic from a light source, excites the fluorescent products. Light from the fluorescence emission is also collected by the same fiber optic and transmitted to a detector. The intensity of the fluorescence gives a measure of the concentration of the halogenated hydrocarbons. 5 figs.

  3. Effect of central ventilation and air conditioner system on the concentration and health risk from airborne polycyclic aromatic hydrocarbons.

    Science.gov (United States)

    Lv, Jinze; Zhu, Lizhong

    2013-03-01

    Central ventilation and air conditioner systems are widely utilized nowadays in public places for air exchange and temperature control, which significantly influences the transfer of pollutants between indoors and outdoors. To study the effect of central ventilation and air conditioner systems on the concentration and health risk from airborne pollutants, a spatial and temporal survey was carried out using polycyclic aromatic hydrocarbons (PAHs) as agent pollutants. During the period when the central ventilation system operated without air conditioning (AC-off period), concentrations of 2-4 ring PAHs in the model supermarket were dominated by outdoor levels, due to the good linearity between indoor air and outdoor air (r(p) > 0.769, p air conditioner systems were working simultaneously (AC-on period), although the total levels of PAHs were increased, the concentrations and percentage of the particulate PAHs indoors declined significantly. The BaP equivalency (BaPeq) concentration indicated that utilization of air conditioning reduced the health risks from PAHs in the model supermarket.

  4. Fate and degradation of petroleum hydrocarbons in stormwater bioretention cells

    Science.gov (United States)

    LeFevre, Gregory Hallett

    This dissertation describes the investigation of the fate of hydrocarbons in stormwater bioretention areas and those mechanisms that affect hydrocarbon fate in such systems. Seventy-five samples from 58 bioretention areas were collected and analyzed to measure total petroleum hydrocarbon (TPH) residual and biodegradation functional genes. TPH residual in bioretention areas was greater than background sites but low overall (hydrocarbon biodegradation. Field soils were capable of mineralizing naphthalene, a polycyclic aromatic hydrocarbon (PAH) when incubated in the laboratory. In an additional laboratory investigation, a column study was initiated to comprehensively determine naphthalene fate in a simulated bioretention cell using a 14C-labeled tracer. Sorption to soil was the greatest sink of naphthalene in the columns, although biodegradation and vegetative uptake were also important loss mechanisms. Little leaching occurred following the first flush, and volatilization was insignificant. Significant enrichment of naphthalene degrading bacteria occurred over the course of the experiment as a result of naphthalene exposure. This was evident from enhanced naphthalene biodegradation kinetics (measured via batch tests), significant increases in naphthalene dioxygenase gene quantities, and a significant correlation observed between naphthalene residual and biodegradation functional genes. Vegetated columns outperformed the unplanted control column in terms of total naphthalene removal and biodegradation kinetics. As a result of these experiments, a final study focused on why planted systems outperform unplanted systems was conducted. Plant root exudates were harvested from hydroponic setups for three types of plants. Additionally, a solution of artificial root exudates (AREs) as prepared. Exudates were digested using soil bacteria to create metabolized exudates. Raw and metabolized exudates were characterized for dissolved organic carbon, specific UV absorbance

  5. Omega-mode perturbation theory and reactor kinetics for analyzing accelerator-driven subcritical systems

    International Nuclear Information System (INIS)

    Ren-Tai, Chiang

    2003-01-01

    An ω-mode first-order perturbation theory is developed for analyzing the time- and space-dependent neutron behavior in Accelerator-Driven Subcritical Systems (ADSS). The generalized point-kinetics equations are systematically derived using the ω-mode first-order perturbation theory and Fredholm Alternative Theorem. Seven sets of the ω-mode eigenvalues exist with using six groups of delayed neutrons and all ω eigenvalues are negative in ADSS. Seven ω-mode adjoint and forward eigenfunctions are employed to form the point-kinetic parameters. The neutron flux is expressed as a linear combination of the products of seven ω-eigenvalue-mode shape functions and their corresponding time functions up to the first order terms, and the lowest negative ω-eigenvalue mode is the dominant mode. (author)

  6. Nonlocal exchange and kinetic-energy density functionals for electronic systems

    International Nuclear Information System (INIS)

    Glossman, M.D.; Rubio, A.; Balbas, L.C.; Alonso, J.A.

    1992-01-01

    The nonlocal weighted density approximation (WDA) to the exchange and kinetic-energy functionals of many electron systems proposed several years ago by Alonso and Girifalco is used to compute, within the framework of density functional theory, the ground-state electronic density and total energy of noble gas atoms and of neutral jellium-like sodium clusters containing up to 500 atoms. These results are compared with analogous calculations using the well known Thomas-Fermi-Weizsacker-Dirac (TFWD) approximations for the kinetic (TFW) and exchange (D) energy density functionals. An outstanding improvement of the total and exchange energies, of the density at the nucleus and of the expectation values is obtained for atoms within the WDA scheme. For sodium clusters the authors notice a sizeable contribution of the nonlocal effects to the total energy and to the density profiles. In the limit of very large clusters these effects should affect the surface energy of the bulk metal

  7. Kinetic Degradation and Controlled Drug Delivery System Studies for Sensitive Hydrogels Prepared by Gamma Irradiation

    International Nuclear Information System (INIS)

    Eid, M.; El-Arnaouty, M.B.

    2008-01-01

    Ternary mixtures of N-vinyle-2-pyrrolidone(NVP ), itaconic acid (IA) and gelatin (G) were gamma irradiated to prepared poly(NVP/IA/G) hydrogels. The equilibrium kinetic swelling, drug release behavior, Scan Electron Microscope (SEM) and the swelling-degradation kinetics were studied. Both the diffusion exponent and the diffusion coefficient increase with increasing content of (IA). Also, the swelling behavior of copolymer hydrogels in response to ph value of the external media was studied, it is noted that the highest swelling values at ph 4. The in vitro drug release behavior of these hydrogels was examined by quantification analysis with a UV/VIS spectrophotometers. Chlorpromazine hydrochloride was loaded into dried hydrogels to investigate the stimuli-sensitive property at the specific ph. The release studies show that the highest value of release was at ph 4 which can be used for drug delivery system

  8. Kinetics of Vinyl Polymerization of Methyl Methacrylate Initiated by Ce(IV-Vanillin Redox System

    Directory of Open Access Journals (Sweden)

    M. Palanivelu

    2012-01-01

    Full Text Available The kinetics of polymerization of methyl methacrylate initiated by Ce(IV-Vanillin redox system was studied in aqueous solution of sulfuric acid at 40°C. The rate of polymerization (Rp and the reaction orders with respect to monomer, initiator and ligand have been determined and found to be 1.5, 0.5 and 0.5 respectively. The effect of concentration of sulfuric acid on the polymerization was also studied. The rate of polymerization was found to increase with increasing temperature 30–60°C and decreases at higher temperature (>60°C. The overall activation energy (Ea was found to be 36.7 kJ/mol. A suitable kinetic scheme has been proposed.

  9. Solid-state reaction kinetics of neodymium doped magnesium hydrogen phosphate system

    Science.gov (United States)

    Gupta, Rashmi; Slathia, Goldy; Bamzai, K. K.

    2018-05-01

    Neodymium doped magnesium hydrogen phosphate (NdMHP) crystals were grown by using gel encapsulation technique. Structural characterization of the grown crystals has been carried out by single crystal X-ray diffraction (XRD) and it revealed that NdMHP crystals crystallize in orthorhombic crystal system with space group Pbca. Kinetics of the decomposition of the grown crystals has been studied by non-isothermal analysis. The estimation of decomposition temperatures and weight loss has been made from the thermogravimetric/differential thermo analytical (TG/DTA) in conjuncture with DSC studies. The various steps involved in the thermal decomposition of the material have been analysed using Horowitz-Metzger, Coats-Redfern and Piloyan-Novikova equations for evaluating various kinetic parameters.

  10. Effect of heat recovery water heater system on the performance of residential split air conditioner using hydrocarbon refrigerant (HCR22)

    Science.gov (United States)

    Aziz, A.; Thalal; Amri, I.; Herisiswanto; Mainil, A. K.

    2017-09-01

    This This paper presents the performance of residential split air conditioner (RSAC) using hydrocarbon refrigerant (HCR22) as the effect on the use of heat recovery water heater system (HRWHS). In this study, RSAC was modified with addition of dummy condenser (trombone coil type) as heat recovery water heater system (HRWHS). This HRWHS is installed between a compressor and a condenser by absorbing a part of condenser waste heat. The results show that RSAC with HRWHS is adequate to generate hot water with the temperature range about 46.58˚C - 48.81˚C when compared to without HRWHS and the use of dummy condenser does not give significant effect to the split air conditioner performance. When the use of HRWHS, the refrigerant charge has increase about 19.05%, the compressor power consumption has slightly increase about 1.42% where cooling capacity almost the same with slightly different about 0.39%. The condenser heat rejection is lower about 2.68% and the COP has slightly increased about 1.05% when compared to without HRWHS. The use of HRWHS provide free hot water, it means there is energy saving for heating water without negative impact to the system performance of RSAC.

  11. A numerical scheme for optimal transition paths of stochastic chemical kinetic systems

    International Nuclear Information System (INIS)

    Liu Di

    2008-01-01

    We present a new framework for finding the optimal transition paths of metastable stochastic chemical kinetic systems with large system size. The optimal transition paths are identified to be the most probable paths according to the Large Deviation Theory of stochastic processes. Dynamical equations for the optimal transition paths are derived using the variational principle. A modified Minimum Action Method (MAM) is proposed as a numerical scheme to solve the optimal transition paths. Applications to Gene Regulatory Networks such as the toggle switch model and the Lactose Operon Model in Escherichia coli are presented as numerical examples

  12. Rule-based programming and strategies for automated generation of detailed kinetic models for gas phase combustion of polycyclic hydrocarbon molecules; Programmation par regles et strategies pour la generation automatique de mecanismes de combustion d'hydrocarbures polycycliques

    Energy Technology Data Exchange (ETDEWEB)

    Ibanescu, L.

    2004-06-15

    The primary objective of this thesis is to explore the approach of using rule-based systems and strategies, for a complex problem of chemical kinetic: the automated generation of reaction mechanisms. The chemical reactions are naturally expressed as conditional rewriting rules. The control of the chemical reactions chaining is easy to describe using a strategies language, such as the one of the ELAN system, developed in the Protheo team. The thesis presents the basic concepts of the chemical kinetics, the chemical and computational problems related to the conception and validation of a reaction mechanism, and gives a general structure for the generator of reaction mechanisms called GasEI. Our research focuses on the primary mechanism generator. We give solutions for encoding the chemical species, the reactions and their chaining, and we present the prototype developed in ELAN. The representation of the chemical species uses the notion of molecular graphs, encoded by a term structure called GasEI terms. The chemical reactions are expressed by rewriting rules on molecular graphs, encoded by a set of conditional rewriting rules on GasEI terms. The strategies language of the ELAN system is used to express the reactions chaining in the primary mechanism generator. This approach is illustrated by coding ten generic reactions of the oxidizing pyrolysis. Qualitative chemical validations of the prototype show that our approach gives, for acyclic molecules, the same results as the existing mechanism generators, and for polycyclic molecules produces original results.

  13. Rule-based programming and strategies for automated generation of detailed kinetic models for gas phase combustion of polycyclic hydrocarbon molecules; Programmation par regles et strategies pour la generation automatique de mecanismes de combustion d'hydrocarbures polycycliques

    Energy Technology Data Exchange (ETDEWEB)

    Ibanescu, L

    2004-06-15

    The primary objective of this thesis is to explore the approach of using rule-based systems and strategies, for a complex problem of chemical kinetic: the automated generation of reaction mechanisms. The chemical reactions are naturally expressed as conditional rewriting rules. The control of the chemical reactions chaining is easy to describe using a strategies language, such as the one of the ELAN system, developed in the Protheo team. The thesis presents the basic concepts of the chemical kinetics, the chemical and computational problems related to the conception and validation of a reaction mechanism, and gives a general structure for the generator of reaction mechanisms called GasEI. Our research focuses on the primary mechanism generator. We give solutions for encoding the chemical species, the reactions and their chaining, and we present the prototype developed in ELAN. The representation of the chemical species uses the notion of molecular graphs, encoded by a term structure called GasEI terms. The chemical reactions are expressed by rewriting rules on molecular graphs, encoded by a set of conditional rewriting rules on GasEI terms. The strategies language of the ELAN system is used to express the reactions chaining in the primary mechanism generator. This approach is illustrated by coding ten generic reactions of the oxidizing pyrolysis. Qualitative chemical validations of the prototype show that our approach gives, for acyclic molecules, the same results as the existing mechanism generators, and for polycyclic molecules produces original results.

  14. Hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    Foorwood, G F; Taplay, J G

    1916-12-12

    Hydrocarbon oils are hydrogenated, cracked, or treated for the removal of sulfur by bringing their vapors mixed with steam at temperatures between 450 and 600/sup 0/C into contact with a form of carbon that is capable of decomposing steam with the production of nascent hydrogen at those temperatures. The forms of carbon used include lamp-black, soot, charcoals derived from wood, cellulose, and lignite, and carbons obtained by carbonizing oil residues and other organic bodies at temperatures below 600/sup 0/C. The process is applied to the treatment of coal oil, shale oil, petroleum, and lignite oil. In examples, kerosene is cracked at 570/sup 0/C, cracked spirit is hydrogenated at 500/sup 0/C, and shale spirit is desulfurized at 530/sup 0/C. The products are led to a condenser and thence to a scrubber, where they are washed with creosote oil. After desulfurization, the products are washed with dilute caustic soda to remove sulfurretted hydrogen.

  15. Hydrocarbon exploration

    Energy Technology Data Exchange (ETDEWEB)

    Lerche, I. (South Carolina Univ., Columbia, SC (United States). Dept. of Geological Sciences)

    1993-01-01

    This special issue of the journal examines various aspects of the on-going search for hydrocarbons, ranging from frontier basins where little data are available, to more mature areas where considerable data are available. The incentives underlying the search for oil are roughly: the social, economic and industrial needs of a nation; the incentive of a corporation to be profitable; and the personal incentives of individuals in the oil industry and governments, which range from financial wealth to power and which are as diverse as the individuals who are involved. From a geopolitical perspective, the needs, requirements, goals, strategies, and philosophies of nations, and groups of nations, also impact on the oil exploration game. Strategies that have been employed have ranged from boycott to austerity and rationing, to physical intervention, to global ''flooding'' with oil by over-production. (author)

  16. Ordering kinetics in quasi-one-dimensional Ising-like systems

    International Nuclear Information System (INIS)

    Mueller, M.; Paul, W.

    1993-01-01

    Results are presented of a Monte Carlo simulation of the kinetics of ordering in the two-dimensional nearest-neighbor Ising model in an L x M geometry with two free boundaries of length M much-gt L. This model can be viewed as representing an adsorbant on a stepped surface with mean terrace width L. The authors follow the ordering kinetics after quenches to temperatures 0.25 ≤T/T c ≤1 starting from a random initial configuration at a coverage of Θ=0.5 in the corresponding lattice gas picture. The systems evolve in time according to a Glauber kinetics with nonconserved order parameter. The equilibrium structure is given by a one-dimensional sequence of ordered domains. The ordering process evolves from a short initial two-dimensional ordering process through a crossover region to a quasi-one-dimensional behavior. The whole process is diffusive (inverse half-width of the structure factor peak 1/Δq parallel ∝ √t), in contrast to a model proposed by Kawasaki et al., where an intermediate logarithmic growth law is expected. All results are completely describable in the picture of an annihilating random walk (ARW) of domain walls. 36 refs., 16 figs

  17. Thermal degradation kinetics of xanthophylls from blood orange in model and real food systems.

    Science.gov (United States)

    Hadjal, Thiziri; Dhuique-Mayer, Claudie; Madani, Khodir; Dornier, Manuel; Achir, Nawel

    2013-06-15

    Thermal degradation kinetics of the major blood orange xanthophylls (cis-violaxanthin, lutein, β-cryptoxanthin, zeaxanthin and cis-antheraxanthin) were investigated at 45, 60, 75, and 90°C in real juice and three model systems formulated to evaluate the impact of xanthophyll form (esterified or free) and pH (acid or neutral). Xanthophylls were monitored by HPLC-DAD and kinetic parameters were identified by non-linear regression. A second order model best fitted the degradation curves of xanthophylls. All degradation rates were the lowest in real juice. Esterified forms were more stable than were the free forms. In all acidic media, β-cryptoxanthin exhibited the lowest degradation rates followed by lutein and zeaxanthin. In comparison, the epoxy carotenoids cis-violaxanthin and cis-antheraxanthin degraded around 3-fold faster in their esterified form. In their free form, cis-antheraxanthin degraded 30-fold faster while cis-violaxanthin instantaneously disappeared because of the isomerisation of its 5,6-epoxy groups into 5,8-epoxy. By contrast, in neutral medium, free epoxy-xanthophylls were about 2-fold more stable than were the free hydroxy xanthophylls lutein, zeaxanthin and β-cryptoxanthin. Kinetic behaviours of xanthophylls were closely dependent on their chemical structures. Copyright © 2013 Elsevier Ltd. All rights reserved.

  18. Performance comparison of a refrigerator system using R134a and hydrocarbon refrigerant (HCR134a) with different expansion devices

    Science.gov (United States)

    Aziz, A.; Izzudin; Mainil, A. K.

    2017-09-01

    The objective of this study is to compare the performance of refrigerator system using working fluid between R134a refrigerant and HCR134a as hydrocarbon refrigerant for substitution of R134a. The use of capillary tube (CT) 1.5 m with HCR134a showed that slightly better COP than among the others, due to the lower pressure of condenser, conversely thermostatic expansion valve (TEV) showed that better COP than among the others with R134a. COP of CT 1.25 m and CT 1.5 m using HCR134a increase about 42.89% and 18.09% compared to R134a, where the electric current of refrigerator system decrease about 11.63% and 10.98%. However, the COP of HCR134a with CT 2.7 m and TEV were obtained lower than R134a about 16.2% and 17.06% and the use of electric current is higher than R134a about 12.98% and 16.5%. The use of HCR134a provides a higher refrigeration effect than R134a about 66.71%-88.27% for various types of expansion devices. The results confirmed that HCR134a could be an alternative refrigerant for replacement of R134a refrigerant.

  19. Hydrocarbon removal with constructed wetlands

    OpenAIRE

    Eke, Paul Emeka

    2008-01-01

    Wetlands have long played a significant role as natural purification systems, and have been effectively used to treat domestic, agricultural and industrial wastewater. However, very little is known about the biochemical processes involved, and the use of constructed treatment wetlands in the removal of petroleum aromatic hydrocarbons from produced and/or processed water. Wastewaters from the oil industry contain aromatic hydrocarbons such as benzene, toluene, ethylbenzene and x...

  20. In-situ treatment of hydrocarbons contamination through enhanced bio-remediation and two phase extraction system

    International Nuclear Information System (INIS)

    Aglietto, I.; Brunero Bronzin, M.

    2005-01-01

    It happens frequently to find industrial site affected by contamination of subsoil and groundwater with consequent presence of free phase product floating on the water table. The remediation technologies in this case shall be properly selected and coordinated in a way that the interactions between each activities will help to decontaminate the site. The case study deals with an industrial site located near Turin, in Italy, of about 50 hectares of extension where has been found an area of about 4000 square meters with contamination of subsoil and groundwater. The compounds with higher concentrations are petroleum hydrocarbons found both in soil and in groundwater. Another big problem is represented by the presence of a layer of free product floating on the water table with a maximum measured thickness of 70 cm; this situation can be considered in fact one of the major difficulty in management of selected remediation technologies because the complete recover of the free phase is a priority for any kind of remediation system to apply subsequently. The present work is based upon the selection and implementation of a multiple treatment for definitive remediation of subsoil and groundwater. Free product recovery has been faced with a two-phase extraction technology, then for the remediation of subsoil we implemented a bio-venting system to improve biodegradation processes and finally for groundwater treatment we apply an enhanced in situ bio-remediation injecting oxygen release compounds directly into the aquifer. To reach these choices we have to pass through a complex activity of investigation of the site made up of more than 40 sampling point, 8 monitoring wells, about 140 analysis on subsoil samples and 10 on groundwater samples and one well used for an aquifer test. The preliminary design of the remediation system was therefore based on an extensive site characterization that included geological and geochemical, microbiological and hydrological data, together with

  1. Radiolysis of hydrocarbons in liquid phase (Modern state of problem)

    International Nuclear Information System (INIS)

    Saraeva, V.V.

    1986-01-01

    Problems of ionizing radiation effect on hydrocarbons and hydrocarbon systems in a liquid phase are considered. Modern representations on the mechanism of hydrocarbon radiolysis are presented. Electron moderation and ion-electron pair formation, behaviour of charged particles, excited states, radical formation and their reactions are discussed. Behaviour of certain hydrocarbon classes: alkanes, cyclic hydrocarbons, olefines, aromatic hydrocarbons as well as different hydrocarbon mixtures is considered in detail. Radiation-chemical changes in organic coolants and ways of increasing radiation resistance are considered. Polyphenyl compounds are noted to be most perspective here

  2. Development of a biotreatment system for the remediation of groundwater contaminated with hydrocarbons and trichloroethylene

    International Nuclear Information System (INIS)

    Folsom, B.R.; Kurisko, P.R.; Ensley, B.D.

    1992-01-01

    Inadvertent release of fuels and solvents into soil has resulted in groundwater contamination across the United States. This paper reports on the development of biologically based systems for treating mixtures of chemical contaminants which often requires knowledge of both degradative pathways and interactions between individual chemicals. These issues may necessitate the use of specialized microorganisms and/or treatment systems designed to overcome these limitations. One strategy for the treatment of chemical mixtures which cannot be source separated, such as contaminated groundwater, is a modular system to sequentially biodegrade groups of compatible chemicals. A two-stage bioreactor system was constructed for the treatment of groundwater contaminated with benzene and TCE. This treatment system is undergoing development for a field pilot demonstration. Successful implementation of this system should result in significant cost and time savings compared to competitive technologies

  3. Phase transitions on (liquid + liquid) equilibria for (water + 1-methylnaphthalene + light aromatic hydrocarbon) ternary systems at T = (563, 573, and 583) K

    International Nuclear Information System (INIS)

    Togo, Masaki; Inamori, Yoshiki; Shimoyama, Yusuke

    2012-01-01

    Highlights: ► Mixtures of (water + 1-methylnaphthalene + light aromatic hydrocarbon) are focused. ► Phase transition pressures on (liquid + liquid) equilibria were measured. ► Effects of aromatic hydrocarbons on phase transition pressure are investigated. ► Phase transition pressures are discussed using dielectric constants of hydrocarbons. - Abstract: Phase transitions for (water + 1-methylnaphthalene + light aromatic hydrocarbon) ternary systems are observed at their (liquid + liquid) equilibria at T = (563, 573, and 583) K and (8.6 to 25.0) MPa. The phase transition pressures at T = (563, 573, and 583) K were measured for the five species of light aromatic hydrocarbons, o-, m-, p-xylenes, ethylbenzene, and mesitylene. The measurements of the phase transition pressures were carried out by changing the feed mole fraction of water and 1-methylnaphthalene in water free, respectively. Effects of the feed mole fraction of water on the phase transition pressures are very small. Increasing the feed mole fraction of 1-methylnaphthalene results in decreasing the phase transition pressures at constant temperature. The slopes depending on the feed mole fraction for 1-methylnaphthalene at the phase transition pressures are decreased with increasing temperature for (water + 1-methylnaphthalene + p-xylene), (water + 1-methylnaphthalene + o-xylene), and (water + 1-methylnaphthalene + mesitylene) systems. For xylene isomers, the highest and lowest of the phase transition pressures are obtained in the case of p- and o-xylenes, respectively. The phase transition pressures for ethylbenzene are lower than those in the case of p-xylene. The similar phase transition pressures are given for p-xylene and mesitylene.

  4. Radiation chemistry of hydrocarbon and alkyl halide systems. Progress report, August 1, 1980-July 31, 1981

    International Nuclear Information System (INIS)

    Hanrahan, R.J.

    1981-01-01

    The results reported here include new measurements on the four systems proposed for study last year. These are pulse radiolysis of alkyl iodide and perfluoaroalkyl iodide systems; gamma radiolysis of H 2 -CO mixtures; photochemistry and mass spectrometry of propane. The work accomplished is described

  5. Laboratory Studies of Hydrocarbon Oxidation Mechanisms

    Science.gov (United States)

    Orlando, J. J.; Tyndall, G. S.; Wallington, T. J.; Burkholder, J. B.; Bertman, S. B.; Chen, W.

    2001-12-01

    The oxidation of hydrocarbon species (alkanes, alkenes, halogenated species, and oxygenates of both natural and anthropogenic origin) in the troposphere leads to the generation of numerous potentially harmful secondary pollutants, such as ozone, organic nitrates and acids, and aerosols. These oxidations proceed via the formation of alkoxy radicals, whose complex chemistry controls the ultimate product distributions obtained. Studies of hydrocarbon oxidation mechanisms are ongoing at NCAR and Ford, using environmental chamber / FTIR absorption systems. The focus of these studies is often on the product distributions obtained at low temperature; these studies not only provide data of direct relevance to the free/upper troposphere, but also allow for a more fundamental understanding of the alkoxy radical chemistry (eg., from the determination of the Arrhenius parameters for unimolecular processes, and the quantification of the extent of the involvement of chemical activation in the alkoxy radical chemistry). In this paper, data will be presented on some or all of the following topics: kinetics/mechanisms for the reactions of OH with the unsaturated species MPAN, acrolein, and crotonaldehyde; the mechanism for the oxidation of ethyl chloride and ethyl bromide; and the mechanism for the reaction of OH with acetone and acetaldehyde at low temperature. The relevance of the data to various aspects of tropospheric chemistry will be discussed.

  6. Mathematical Modelling of Drying Kinetics of Wheat in Electron Fired Fluidized Bed Drying System

    Science.gov (United States)

    Deomore, Dayanand N.; Yarasu, Ravindra B.

    2018-02-01

    The conventional method of electrical heating is replaced by electron firing system. The drying kinetics of wheat is studied using electron fired fluidized bed dryer. The results are simulated by using ANSYS. It was observed that the graphs are in agreement with each other. Therefore, the new proposed electronic firing system can be employed instead of electrical firing. It was observed that the drop in Relative Humidity in case of Electrical heating is 68.75% for temp reaching up to 70° C in 67 sec for pressure drop of 13 psi while for the electronic Firing system it is 67.6 % temp reaches to 70° C in 70 sec for pressure drop of 12.67 psi. As the results are in agreement with each other it was concluded that for the grains like wheat which has low initial moisture content both systems can be used.

  7. Study of kinetics, equilibrium and isotope exchange in ion exchange systems Pt. 4

    International Nuclear Information System (INIS)

    Stamberg, K.; Plicka, J.; Calibar, J.; Gosman, A.

    1985-01-01

    The kinetics of ion exchange in the Nasup(+)-Mgsup(2+)-strongly acidic cation exchanger system in a batch stirred reactor was studied. The samples of exchangers OSTION KS (containing DVB in the range of 1.5 - 12%) and AMBERLITE IR 120 for experimental work were used; the concentration of the aqueous nitrate solution was always 0.2M. The Nernst-Planck equation for description of diffusion of ions in a particle was used. The values of diffusion coefficients of magnesium ions in the exchangers and their dependence on the content of DVB were obtained by evaluating the experimental data and using the self-diffusion coefficients of sodium. (author)

  8. Modeling of radiocesium transport kinetics in system water-aquatic plants

    International Nuclear Information System (INIS)

    Svadlenkova, M.

    1988-01-01

    Compartment models were used to describe the kinetics of the transport of radionuclides in the system water-biomass of aquatic plants. Briefly described are linear models and models with time variable parameters. The model was tested using data from a locality in the environs of the Bohunice nuclear power plant. Cladophora glomerata algae were the monitored plants, 137 Cs the monitored radionuclide. The models may be used when aquatic plants serve as bioindicators of the radioactive contamination of surface waters, for monitoring the transport of radionuclides in food chains. (M.D.). 10 refs

  9. Toward Understanding the Role of Aryl Hydrocarbon Receptor in the Immune System: Current Progress and Future Trends

    Directory of Open Access Journals (Sweden)

    Hamza Hanieh

    2014-01-01

    Full Text Available The immune system is regulated by distinct signaling pathways that control the development and function of the immune cells. Accumulating evidence suggest that ligation of aryl hydrocarbon receptor (Ahr, an environmentally responsive transcription factor, results in multiple cross talks that are capable of modulating these pathways and their downstream responsive genes. Most of the immune cells respond to such modulation, and many inflammatory response-related genes contain multiple xenobiotic-responsive elements (XREs boxes upstream. Active research efforts have investigated the physiological role of Ahr in inflammation and autoimmunity using different animal models. Recently formed paradigm has shown that activation of Ahr by 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD or 3,3′-diindolylmethane (DIM prompts the differentiation of CD4+Foxp3+ regulatory T cells (Tregs and inhibits T helper (Th-17 suggesting that Ahr is an innovative therapeutic strategy for autoimmune inflammation. These promising findings generate a basis for future clinical practices in humans. This review addresses the current knowledge on the role of Ahr in different immune cell compartments, with a particular focus on inflammation and autoimmunity.

  10. Leaf-architectured 3D Hierarchical Artificial Photosynthetic System of Perovskite Titanates Towards CO2 Photoreduction Into Hydrocarbon Fuels

    Science.gov (United States)

    Zhou, Han; Guo, Jianjun; Li, Peng; Fan, Tongxiang; Zhang, Di; Ye, Jinhua

    2013-01-01

    The development of an “artificial photosynthetic system” (APS) having both the analogous important structural elements and reaction features of photosynthesis to achieve solar-driven water splitting and CO2 reduction is highly challenging. Here, we demonstrate a design strategy for a promising 3D APS architecture as an efficient mass flow/light harvesting network relying on the morphological replacement of a concept prototype-leaf's 3D architecture into perovskite titanates for CO2 photoreduction into hydrocarbon fuels (CO and CH4). The process uses artificial sunlight as the energy source, water as an electron donor and CO2 as the carbon source, mimicking what real leaves do. To our knowledge this is the first example utilizing biological systems as “architecture-directing agents” for APS towards CO2 photoreduction, which hints at a more general principle for APS architectures with a great variety of optimized biological geometries. This research would have great significance for the potential realization of global carbon neutral cycle. PMID:23588925

  11. Nonequilibrium transition and pattern formation in a linear reaction-diffusion system with self-regulated kinetics

    Science.gov (United States)

    Paul, Shibashis; Ghosh, Shyamolina; Ray, Deb Shankar

    2018-02-01

    We consider a reaction-diffusion system with linear, stochastic activator-inhibitor kinetics where the time evolution of concentration of a species at any spatial location depends on the relative average concentration of its neighbors. This self-regulating nature of kinetics brings in spatial correlation between the activator and the inhibitor. An interplay of this correlation in kinetics and disparity of diffusivities of the two species leads to symmetry breaking non-equilibrium transition resulting in stationary pattern formation. The role of initial noise strength and the linear reaction terms has been analyzed for pattern selection.

  12. Radiation chemistry of hydrocarbon and alkyl halide systems. Progress report, August 1, 1982-July 31, 1983

    International Nuclear Information System (INIS)

    Hanrahan, R.J.

    1983-01-01

    Experimental work was in progress during the past year on three systems: investigation of gas phase OH radical reactions using the pulse radiolysis method; studies of the radiolytic oxidation of propane; and an investigation of photochemistry and mass spectrometry of CF 3 I-CH 3 I mixtures. In addition, data analysis and interpretation of previously obtained results on H 2 /CO systems was under way. Progress made in these areas is described

  13. Kinetics of the Epoxidation of Geraniol and Model Systems by Dimethyldioxirane

    Directory of Open Access Journals (Sweden)

    B. S. Crow

    2004-02-01

    Full Text Available The mono-epoxidation of geraniol by dimethyldioxirane was carried out invarious solvents. In all cases, the product ratios for the 2,3 and 6,7 mono-epoxides werein agreement with literature values. Kinetic studies were carried out at 23 oC in thefollowing dried solvent systems: acetone (k2 = 1.49 M-1s-1, carbon tetrachloride/acetone(9/1, k2=2.19 M-1s-1, and methanol/acetone (9/1, k2 = 17 M-1s-1. Individual k2 valueswere calculated for epoxidation of the 2,3 and 6,7 positions in geraniol. The non-conjugated diene system was modeled employing two simple independent alkenes:2-methyl-2-pentene and 3-methyl-2-buten-1-ol by determining the respective k2 valuesfor epoxidation in various solvents. The kinetic results for each independent alkeneshowed that the relative reactivity of the two epoxidation sites in geraniol as a function ofsolvent was not simply a summation of the independent alkene systems.

  14. Determination of kinetics parameters using stochastic methods in a 252Cf system

    International Nuclear Information System (INIS)

    Difilippo, F.C.

    1988-01-01

    Safety analysis and control system design of nuclear systems require the knowledge of neutron kinetics related parameters like effective delayed neutron fraction, neutron lifetime, time between neutron generations and subcriticality margins. Many methods, deterministic and stochastic, are being used, some since the beginning of nuclear power, to measure these important parameters. The method based on the use of the 252 Cf neutron source has been under intense study at the Oak Ridge National Laboratory, both experimentally and theoretically, during the last years. The increasing demand for this isotope in industrial and medical applications and new designs of advanced high flux reactors to produce it make the isotope available as neutron source (only few micrograms are necessary). A thin layer of 252 Cf is deposited in one of the electrodes of a fission chamber which produces pulses each time the 252 Cf disintegrates via α or spontaneous fission decay; the smaller pulses associated with the α decay can be easily discriminated with the important result that we known the time when v/sub c/ neutrons are injected into the system (number of neutrons per fission of 252 Cf). Thus, a small (few cm 3 ) and nonintrusive device can be used as a random pulsed neutron source with known natural properties that do no depend on biases associated with more complex interrogating devices like accelerators. This paper presents a general formalism that relates the kinetics parameters with stochastic descriptors that naturally appear because of the random nature of the production and transport of neutrons

  15. Derivation of regularized Grad's moment system from kinetic equations: modes, ghosts and non-Markov fluxes

    Science.gov (United States)

    Karlin, Ilya

    2018-04-01

    Derivation of the dynamic correction to Grad's moment system from kinetic equations (regularized Grad's 13 moment system, or R13) is revisited. The R13 distribution function is found as a superposition of eight modes. Three primary modes, known from the previous derivation (Karlin et al. 1998 Phys. Rev. E 57, 1668-1672. (doi:10.1103/PhysRevE.57.1668)), are extended into the nonlinear parameter domain. Three essentially nonlinear modes are identified, and two ghost modes which do not contribute to the R13 fluxes are revealed. The eight-mode structure of the R13 distribution function implies partition of R13 fluxes into two types of contributions: dissipative fluxes (both linear and nonlinear) and nonlinear streamline convective fluxes. Physical interpretation of the latter non-dissipative and non-local in time effect is discussed. A non-perturbative R13-type solution is demonstrated for a simple Lorentz scattering kinetic model. The results of this study clarify the intrinsic structure of the R13 system. This article is part of the theme issue `Hilbert's sixth problem'.

  16. Aromatic hydrocarbons in a controlled ecological life support system during a 4-person-180-day integrated experiment.

    Science.gov (United States)

    Dai, Kun; Yu, Qingni; Zhang, Zhou; Wang, Yuan; Wang, Xinming

    2018-01-01

    Indoor air quality is vital to the health and comfort of people who live inside a controlled ecological life support system (CELSS) built for long-term space explorations. Here we measured aromatic hydrocarbons to assess their sources and health risks during a 4-person-180-day integrated experiment inside a CELSS with four cabins for growing crops, vegetables and fruits and other two cabins for working, accommodations and resources management. During the experiment, the average concentrations of benzene, ethylbenzene, m,p-xylenes and o-xylene were found to decrease exponentially from 7.91±3.72, 37.2±35.2, 100.8±111.7 and 46.8±44.1μg/m 3 to 0.39±0.34, 1.4±0.5, 2.8±0.7 and 2.1±0.9μg/m 3 , with half-lives of 25.3, 44.8, 44.7 and 69.3days, respectively. Toluene to benzene ratios indicated emission from construction materials or furniture to be a dominant source for toluene, and concentrations of toluene fluctuated during the experiment largely due to the changing sorption by growing plants. The cancer and no-cancer risks based on exposure pattern of the crews were insignificant in the end of the experiment. This study also suggested that using low-emitting materials/furniture, growing plants and purifying air actively would all help to lower hazardous air pollutants inside CELSS. Broadly, the results would benefit not only the development of safe and comfort life support systems for space exploration but also the understanding of interactions between human and the total environment in closed systems. Copyright © 2017 Elsevier B.V. All rights reserved.

  17. Distribution, partitioning and sources of polycyclic aromatic hydrocarbons in Daliao River water system in dry season, China

    International Nuclear Information System (INIS)

    Guo Wei; He Mengchang; Yang Zhifeng; Lin Chunye; Quan Xiangchun; Men Bing

    2009-01-01

    Eighteen polycyclic aromatic hydrocarbons (PAHs) were analyzed in 29 surface water, 29 suspended particulate matter (SPM), 28 sediment, and 10 pore water samples from Daliao River water system in dry season. The total PAH concentration ranged from 570.2 to 2318.6 ng L -1 in surface water, from 151.0 to 28483.8 ng L -1 in SPM, from 102.9 to 3419.2 ng g -1 in sediment and from 6.3 to 46.4 μg l -1 in pore water. The concentration of dissolved PAHs was higher than that of particulate PAHs at many sites, but the opposite results were generally observed at the sites of wastewater discharge. The soluble level of PAHs was much higher in the pore water than in the water column. Generally, the water column of the polluted branch streams contained higher content of PAHs than their mainstream. The environmental behaviors and fates of PAHs were examined according to some physicochemical parameters such as pH, organic carbon, SPM content, water content and grain size in sediments. Results showed that organic carbon was the primary factor controlling the distribution of the PAHs in the Daliao River water system. Partitioning of PAHs between sediment solid phase and pore water phase was studied, and the relationship between log K oc and log K ow of PAHs on some sediments and the predicted values was compared. PAHs other than naphthalene and acenaphthylene would be accumulated largely in the sediment of the Dalaio River water system. The sources of PAHs were evaluated employing ratios of specific PAHs compounds and different wastewater discharge sources, indicating that combustion was the main source of PAHs input.

  18. Radiation chemistry of hydrocarbon and alkyl halide systems. Progress report, August 1, 1977--August 1, 1978

    International Nuclear Information System (INIS)

    Hanrahan, R.J.

    1978-01-01

    Progress of experimental work is reported on pulse radiolysis of simple alkyl halides in the gas phase, gas phase radiolysis of CHF 3 -CH 3 I mixtures, gamma radiolysis of the system CO/H 2 , and improvements in equipment and facilities

  19. Investigation of the system aluminum soap-hydrocarbon by the dielectric method

    Energy Technology Data Exchange (ETDEWEB)

    Lozovaya, V.I.; Dagaev, V.A.; Mankovskaya, N.K.

    The plots of the dielectric parameters (epsilon, tg delta) vs. temperature, obtained during heating of aluminum disoap suspensions in organic solvents, show 2 maxima. The first is associated with the gelation process in the system, and the second with the transition of the colloidal solution into a true one. (11 refs.)

  20. Synchronous parallel kinetic Monte Carlo for continuum diffusion-reaction systems

    International Nuclear Information System (INIS)

    Martinez, E.; Marian, J.; Kalos, M.H.; Perlado, J.M.

    2008-01-01

    A novel parallel kinetic Monte Carlo (kMC) algorithm formulated on the basis of perfect time synchronicity is presented. The algorithm is intended as a generalization of the standard n-fold kMC method, and is trivially implemented in parallel architectures. In its present form, the algorithm is not rigorous in the sense that boundary conflicts are ignored. We demonstrate, however, that, in their absence, or if they were correctly accounted for, our algorithm solves the same master equation as the serial method. We test the validity and parallel performance of the method by solving several pure diffusion problems (i.e. with no particle interactions) with known analytical solution. We also study diffusion-reaction systems with known asymptotic behavior and find that, for large systems with interaction radii smaller than the typical diffusion length, boundary conflicts are negligible and do not affect the global kinetic evolution, which is seen to agree with the expected analytical behavior. Our method is a controlled approximation in the sense that the error incurred by ignoring boundary conflicts can be quantified intrinsically, during the course of a simulation, and decreased arbitrarily (controlled) by modifying a few problem-dependent simulation parameters

  1. Hydrolytic Activation Kinetics of the Herbicide Benzobicyclon in Simulated Aquatic Systems.

    Science.gov (United States)

    Williams, Katryn L; Tjeerdema, Ronald S

    2016-06-22

    Herbicide resistance is a growing concern for weeds in California rice fields. Benzobicyclon (BZB; 3-(2-chloro-4-(methylsulfonyl)benzoyl)-2-phenylthiobicyclo[3.2.1]oct-2-en-4-one) has proven successful against resistant rice field weeds in Asia. A pro-herbicide, BZB forms the active agent, benzobicyclon hydrolysate (BH), in water; however, the transformation kinetics are not understood for aquatic systems, particularly flooded California rice fields. A quantitative experiment was performed to assess the primary mechanism and kinetics of BZB hydrolysis to BH. Complete conversion to BH was observed for all treatments. Basic conditions (pH 9) enhanced the reaction, with half-lives ranging from 5 to 28 h. Dissolved organic carbon (DOC) hindered transformation, which is consistent with other base-catalyzed hydrolysis reactions. BH was relatively hydrolytically stable, with 18% maximum loss after 5 days. Results indicate BZB is an efficient pro-herbicide under aqueous conditions such as those of a California rice field, although application may be best suited for fields with recirculating tailwater systems.

  2. Point kinetics equations for subcritical systems based on the importance function associated to an external neutron source

    International Nuclear Information System (INIS)

    Carvalho Gonçalves, Wemerson de; Martinez, Aquilino Senra; Carvalho da Silva, Fernando

    2015-01-01

    Highlights: • We define the new function importance. • We calculate the kinetic parameters Λ, β, Γ and Q to: 0.95, 0.96, 0.97, 0.98 and 0.99. • We compared the results with those obtained by the main important functions. • We found that the calculated kinetic parameters are physically consistent. - Abstract: This paper aims to determine the parameters for a new set of equations of point kinetic subcritical systems, based on the concept of importance of Heuristic Generalized Perturbation Theory (HGPT). The importance function defined here is related to both the subcriticality and the external neutron source worth (which keeps the system at steady state). The kinetic parameters defined in this work are compared with the corresponding parameters when adopting the importance functions proposed by Gandini and Salvatores (2002), Dulla et al. (2006) and Nishihara et al. (2003). Furthermore, the point kinetics equations developed here are solved for two different transients, considering the parameters obtained with different importance functions. The results collected show that there is a similar behavior of the solution of the point kinetics equations, when used with the parameters obtained by the importance functions proposed by Gandini and Salvatores (2002) and Dulla et al. (2006), specially near the criticality. However, this is not verified as the system gets farther from criticality

  3. Risk and integrity management system for PETRONAS Gas Berhad's gas and liquid hydrocarbon pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Khalid, Tuan Hj. Ahmad Nadzri bin; Nasir, Osman; Napiah, Mohd Nazmi Mohd Ali [PETRONAS Gas Berhad, Johor (Malaysia); Choong, Evelyn

    2005-07-01

    PETRONAS Gas Berhad (PGB), Malaysia currently operates one of Southeast Asia's largest onshore pipeline systems comprising more than 2,500 km of large diameter high pressure gas and liquid transmission, supply and lateral pipelines. Recognizing the value of a risk based approach to pipeline integrity management program, in 2002 PGB implemented a customized and fully integrated Risk and Integrity Management System (RIMS) which included software modules for: data management; semi-quantitative risk assessment; risk control cost benefit analyses; defect assessment; corrosion growth modeling; and reporting. As part of this project, a benchmarking study performed jointly with the contractor, PGB's pipeline integrity programs were also compared with a broad group of international pipeline operators. This study compared the relative ranking position of PGB pre- and post implementation of RIMS. It demonstrated that implementation of RIMS places PGB in a select group of first quartile international pipeline operators, with respect to the implementation of pipeline integrity management best practice. This paper describes the functionalities of RIMS system and how it has benefited PGB, which have been realized to date from its implementation. (author)

  4. A multi-process phytoremediation system for removal of polycyclic aromatic hydrocarbons from contaminated soils

    International Nuclear Information System (INIS)

    Huang Xiaodong; El-Alawi, Yousef; Penrose, Donna M.; Glick, Bernard R.; Greenberg, Bruce M.

    2004-01-01

    To improve phytoremediation processes, multiple techniques that comprise different aspects of contaminant removal from soils have been combined. Using creosote as a test contaminant, a multi-process phytoremediation system composed of physical (volatilization), photochemical (photooxidation) and microbial remediation, and phytoremediation (plant-assisted remediation) processes was developed. The techniques applied to realize these processes were land-farming (aeration and light exposure), introduction of contaminant degrading bacteria, plant growth promoting rhizobacteria (PGPR), and plant growth of contaminant-tolerant tall fescue (Festuca arundinacea). Over a 4-month period, the average efficiency of removal of 16 priority PAHs by the multi-process remediation system was twice that of land-farming, 50% more than bioremediation alone, and 45% more than phytoremediation by itself. Importantly, the multi-process system was capable of removing most of the highly hydrophobic, soil-bound PAHs from soil. The key elements for successful phytoremediation were the use of plant species that have the ability to proliferate in the presence of high levels of contaminants and strains of PGPR that increase plant tolerance to contaminants and accelerate plant growth in heavily contaminated soils. The synergistic use of these approaches resulted in rapid and massive biomass accumulation of plant tissue in contaminated soil, putatively providing more active metabolic processes, leading to more rapid and more complete removal of PAHs. - Persistent PAH contaminants in soils can be removed more completely and rapidly by using multiple remediation processes

  5. Transport and fluxes of terrestrial polycyclic aromatic hydrocarbons in a small mountain river and submarine canyon system.

    Science.gov (United States)

    Lin, Bing-Sian; Lee, Chon-Lin; Brimblecombe, Peter; Liu, James T

    2016-08-01

    Polycyclic aromatic hydrocarbon (PAH) concentrations in the Gaoping River were investigated in the wet and dry seasons. PAH characteristics allowed us to trace the particulate matter transported in a river-sea system containing a small mountain river, continental shelf, and submarine canyon. PAH signatures of the Gaoping River showed that particles were rapidly transported from the high mountain to the Gaoping coastal areas in the wet season, even arriving at the deep ocean via the Gaoping Submarine Canyon. By contrast, in the dry season, the particles were delivered quite slowly and included mostly pyrogenic contaminants. The annual riverine flux estimates for PAHs were 2241 kg in the Gaoping river-sea system. Only 18.0 kg were associated with the dissolved phase; the rest was bound onto particles. The fluxes caused by typhoons and their effects accounted for 20.2% of the dissolved and 68.4% of the particulate PAH fluxes from the river. Normalized partition coefficients for organic carbon suggested that PAHs were rigid on the particles. Distinct source characteristics were evident for PAHs on riverine suspended particles and coastal surface sediments: the particles in the wet season (as background signals) were similar to petrogenic sources, whereas the particles in the dry season had characteristics of coal burning and vehicular emissions. The sediments in the northwestern shelf were similar to pyrogenic sources (including vehicular emissions and coal and biomass burning), whereas the sediments in the canyon and southeastern shelf arose from mixed sources, although some diesel signature was also evident. Copyright © 2016 Elsevier Ltd. All rights reserved.

  6. Biogeochemistry of Halogenated Hydrocarbons

    Science.gov (United States)

    Adriaens, P.; Gruden, C.; McCormick, M. L.

    2003-12-01

    Halogenated hydrocarbons originate from both natural and industrial sources. Whereas direct anthropogenic emissions to the atmosphere and biosphere are often easy to assess, particularly when they are tied to major industrial activities, the attribution of emissions to other human activities (e.g., biomass burning), diffuse sources (e.g., atmospheric discharge, run off), and natural production (e.g., soils, fungi, algae, microorganisms) are difficult to quantify. The widespread occurrence of both alkyl and aryl halides in groundwater, surface water, soils, and various trophic food chains, even those not affected by known point sources, suggests a substantial biogeochemical cycling of these compounds (Wania and Mackay, 1996; Adriaens et al., 1999; Gruden et al., 2003). The transport and reactive fate mechanisms controlling their reactivity are compounded by the differences in sources of alkyl-, aryl-, and complex organic halides, and the largely unknown impact of biogenic processes, such as enzymatically mediated halogenation of organic matter, fungal production of halogenated hydrocarbons, and microbial or abiotic transformation reactions (e.g., Asplund and Grimvall, 1991; Gribble, 1996; Watling and Harper, 1998; Oberg, 2002). The largest source may be the natural halogenation processes in the terrestrial environment, as the quantities detected often exceed the amount that can be explained by human activities in the surrounding areas ( Oberg, 1998). Since biogeochemical processes result in the distribution of a wide range of halogenated hydrocarbon profiles, altered chemical structures, and isomer distributions in natural systems, source apportionment (or environmental forensics) can often only be resolved using multivariate statistical methods (e.g., Goovaerts, 1998; Barabas et al., 2003; Murphy and Morrison, 2002).This chapter will describe the widespread occurrence of halogenated hydrocarbons, interpret their distribution and biogeochemical cycling in light of

  7. KiMoSys: a web-based repository of experimental data for KInetic MOdels of biological SYStems.

    Science.gov (United States)

    Costa, Rafael S; Veríssimo, André; Vinga, Susana

    2014-08-13

    The kinetic modeling of biological systems is mainly composed of three steps that proceed iteratively: model building, simulation and analysis. In the first step, it is usually required to set initial metabolite concentrations, and to assign kinetic rate laws, along with estimating parameter values using kinetic data through optimization when these are not known. Although the rapid development of high-throughput methods has generated much omics data, experimentalists present only a summary of obtained results for publication, the experimental data files are not usually submitted to any public repository, or simply not available at all. In order to automatize as much as possible the steps of building kinetic models, there is a growing requirement in the systems biology community for easily exchanging data in combination with models, which represents the main motivation of KiMoSys development. KiMoSys is a user-friendly platform that includes a public data repository of published experimental data, containing concentration data of metabolites and enzymes and flux data. It was designed to ensure data management, storage and sharing for a wider systems biology community. This community repository offers a web-based interface and upload facility to turn available data into publicly accessible, centralized and structured-format data files. Moreover, it compiles and integrates available kinetic models associated with the data.KiMoSys also integrates some tools to facilitate the kinetic model construction process of large-scale metabolic networks, especially when the systems biologists perform computational research. KiMoSys is a web-based system that integrates a public data and associated model(s) repository with computational tools, providing the systems biology community with a novel application facilitating data storage and sharing, thus supporting construction of ODE-based kinetic models and collaborative research projects.The web application implemented using Ruby

  8. The effects of load on system and lower-body joint kinetics during jump squats.

    Science.gov (United States)

    Moir, Gavin L; Gollie, Jared M; Davis, Shala E; Guers, John J; Witmer, Chad A

    2012-11-01

    To investigate the effects of different loads on system and lower-body kinetics during jump squats, 12 resistance-trained men performed jumps under different loading conditions: 0%, 12%, 27%, 42%, 56%, 71%, and 85% of 1-repetition maximum (1-RM). System power output was calculated as the product of the vertical component of the ground reaction force and the vertical velocity of the bar during its ascent. Joint power output was calculated during bar ascent for the hip, knee, and ankle joints, and was also summed across the joints. System power output and joint power at knee and ankle joints were maximized at 0% 1-RM (p < 0.001) and followed the linear trends (p < 0.001) caused by power output decreasing as the load increased. Power output at the hip was maximized at 42% 1-RM (p = 0.016) and followed a quadratic trend (p = 0.030). Summed joint power could be predicted from system power (p < 0.05), while system power could predict power at the knee and ankle joints under some of the loading conditions. Power at the hip could not be predicted from system power. System power during loaded jumps reflects the power at the knee and ankle, while power at the hip does not correspond to system power.

  9. Modal and Dynamic Analysis of a Vehicle with Kinetic Dynamic Suspension System

    Directory of Open Access Journals (Sweden)

    Bangji Zhang

    2016-01-01

    Full Text Available A novel kinetic dynamic suspension (KDS system is presented for the cooperative control of the roll and warp motion modes of off-road vehicles. The proposed KDS system consists of two hydraulic cylinders acting on the antiroll bars. Hence, the antiroll bars are not completely replaced by the hydraulic system, but both systems are installed. In this paper, the vibration analysis in terms of natural frequencies of different motion modes in frequency domain for an off-road vehicle equipped with different configurable suspension systems is studied by using the modal analysis method. The dynamic responses of the vehicle with different configurable suspension systems are investigated under different road excitations and maneuvers. The results of the modal and dynamic analysis prove that the KDS system can reduce the roll and articulation motions of the off-road vehicle without adding extra bounce stiffness and deteriorating the ride comfort. Furthermore, the roll stiffness is increased and the warp stiffness is decreased by the KDS system, which could significantly enhance handing performance and off-road capability.

  10. Predicting hydrocarbon release from soil

    International Nuclear Information System (INIS)

    Poppendieck, D.; Loehr, R.C.

    2002-01-01

    hydrocarbons in a contaminated soil. This knowledge can enhance the selection and determine the duration of a proper remediation strategy. Information will be provided on the correlation of the results from this protocol to the results of chemical loss in contaminated soil bioremediation systems. This research has been completed, the data is currently being analyzed and the results will be fully evaluated by early 2002. As a result, the protocol and potential applications to field decisions will be presented and discussed. (author)

  11. In-situ treatment of a mixed hydrocarbon plume through enhanced bio-remediation and a PRB system

    International Nuclear Information System (INIS)

    Aglietto, I.; Bargoni, G.; Bretti, L.L.

    2005-01-01

    Groundwater is frequently polluted with mixtures of contaminants that are amenable to different types of remediation. One example is the combination of petroleum hydrocarbons (BTEX) and chlorinated solvents (PCE, TCE, DCE, VC), as it occurs in the groundwater beneath the industrial site that is the objective of the present case study. The site is located in Italy near a main river (Arno), which is supposed to be the final recipient of the contamination and where a possible exposure might take place. The aim of the treatment is the plume containment within the site boundaries in order to avoid further migration of the contaminants towards the river. The design of the remediation system was based on an extensive site characterization that included - but was not limited to - the following information: geological and geochemical, microbiological and hydrological data, together with analytical data (i.e. contaminant concentrations). Pilot tests were also implemented in order to collect the necessary parameters for the full-scale treatment design and calibration. The monitoring of the site conditions was carried out throughout a period of several months, both with periodical measurements and sampling and with fixed monitoring probes, in order to record the aquifer changes (levels, concentrations, etc.) related both to seasonal variations and to the pilot tests. The groundwater is located in a highly heterogeneous aquifer, with a saturated thickness of 1.5 m and an average hydraulic conductivity of 2.5 x 10 -5 m/s. The seepage velocity is extremely low, with a mean value around 1.3 mm/d. This results in a long residence time and limited volumes per time unit to be treated. The site was contaminated by a mixed plume of more than 15 different contaminants, ranging from BTEX, to MTBE, to PAH, to chlorinated solvents. The concentration peaks were in the order of 1-100 mg/l for each contaminant. Petroleum hydrocarbons are quickly degradable through oxidative mechanisms

  12. In-situ treatment of a mixed hydrocarbon plume through enhanced bio-remediation and a PRB system

    Energy Technology Data Exchange (ETDEWEB)

    Aglietto, I.; Bargoni, G.; Bretti, L.L. [Studio aglietto s.r.l. (Italy)

    2005-07-01

    Groundwater is frequently polluted with mixtures of contaminants that are amenable to different types of remediation. One example is the combination of petroleum hydrocarbons (BTEX) and chlorinated solvents (PCE, TCE, DCE, VC), as it occurs in the groundwater beneath the industrial site that is the objective of the present case study. The site is located in Italy near a main river (Arno), which is supposed to be the final recipient of the contamination and where a possible exposure might take place. The aim of the treatment is the plume containment within the site boundaries in order to avoid further migration of the contaminants towards the river. The design of the remediation system was based on an extensive site characterization that included - but was not limited to - the following information: geological and geochemical, microbiological and hydrological data, together with analytical data (i.e. contaminant concentrations). Pilot tests were also implemented in order to collect the necessary parameters for the full-scale treatment design and calibration. The monitoring of the site conditions was carried out throughout a period of several months, both with periodical measurements and sampling and with fixed monitoring probes, in order to record the aquifer changes (levels, concentrations, etc.) related both to seasonal variations and to the pilot tests. The groundwater is located in a highly heterogeneous aquifer, with a saturated thickness of 1.5 m and an average hydraulic conductivity of 2.5 x 10{sup -5} m/s. The seepage velocity is extremely low, with a mean value around 1.3 mm/d. This results in a long residence time and limited volumes per time unit to be treated. The site was contaminated by a mixed plume of more than 15 different contaminants, ranging from BTEX, to MTBE, to PAH, to chlorinated solvents. The concentration peaks were in the order of 1-100 mg/l for each contaminant. Petroleum hydrocarbons are quickly degradable through oxidative mechanisms

  13. Analytical and computational study of magnetization switching in kinetic Ising systems with demagnetizing fields

    DEFF Research Database (Denmark)

    Richards, H.L.; Rikvold, P.A.

    1996-01-01

    particularly promising as materials for high-density magnetic recording media. In this paper we use analytic arguments and Monte Carlo simulations to quantitatively study the effects of the demagnetizing field on the dynamics of magnetization switching in two-dimensional, single-domain, kinetic Ising systems....... For systems in the weak-field ''stochastic region,'' where magnetization switching is on average effected by the nucleation and growth of a single droplet, the simulation results can be explained by a simple model in which the free energy is a function only of magnetization. In the intermediate......-field ''multidroplet region,'' a generalization of Avrami's law involving a magnetization-dependent effective magnetic field gives good agreement with the simulations. The effects of the demagnetizing field do not qualitatively change the droplet-theoretical picture of magnetization switching in highly anisotropic...

  14. Practical use of control rod calibration system with the inverse kinetics method

    International Nuclear Information System (INIS)

    Yamanaka, Haruhiko; Hayashi, Kazuhiko; Motohashi, Jun; Kawashima, Kazuhito; Ichimura, Toshiyuki; Tamai, Kazuo; Takeuti, Mitsuo

    2002-01-01

    The control rod calibration results in the JRR-3 are used as a reactivity standard to measure and manage the reactivity change in the core. The total travel of all six control rods has been calibrated by an inverse kinetics method (IK method) during an annual maintenance period. The IK method has the great merit in saving measuring time compared with the conventional positive period method (PP method). The JRR-3 control rod calibration system was renovated and put into practical use in order to improve reliability and function by accumulating 10-year experience with the IK method in the JRR-3. The report shows the function, the performance and results of verification of the JRR-3 control rod calibration system. (author)

  15. Development of a fibre-optic sensor system for the continuous monitoring of a sanitary landfill for low-halogenated hydrocarbons, polycyclic aromatic hydrocarbons, and other pollutants

    International Nuclear Information System (INIS)

    Baumann, M.; Baumann, T.; Gahr, A.; Mueller-Ackermann, E.; Panne, U.; Niessner, R.

    1992-01-01

    The aim of the project is to develop a mobile fibre-optic sensor system for monitoring the ground water aquifer in the area of a landfill. Not only are the analytical methods to be developed further; but the system's performance in the field is to be tested as well. As a large part of knowledge on the long-time safety of mineral sealing systems of sanitary landfills derives from damage events, a measuring area was additionally established at the Augsburg-Nord landfill. This measuring area is to permit monitoring of the sealing also during operation and reclamation. Within the measuring area and in the environs of the landfill, both conventional sensors for temperature, conductibility, etc., and the specially developed fibre-optic sensors for on-line in-situ monitoring will be used. (orig.) [de

  16. Modeling flows of heterogeneous media in pipelines when substantiating operating conditions of hydrocarbon field transportation systems

    Science.gov (United States)

    Dudin, S. M.; Novitskiy, D. V.

    2018-05-01

    The works of researchers at VNIIgaz, Giprovostokneft, Kuibyshev NIINP, Grozny Petroleum Institute, etc., are devoted to modeling heterogeneous medium flows in pipelines under laboratory conditions. In objective consideration, the empirical relationships obtained and the calculation procedures for pipelines transporting multiphase products are a bank of experimental data on the problem of pipeline transportation of multiphase systems. Based on the analysis of the published works, the main design requirements for experimental installations designed to study the flow regimes of gas-liquid flows in pipelines were formulated, which were taken into account by the authors when creating the experimental stand. The article describes the results of experimental studies of the flow regimes of a gas-liquid mixture in a pipeline, and also gives a methodological description of the experimental installation. Also the article describes the software of the experimental scientific and educational stand developed with the participation of the authors.

  17. A high volume sampling system for isotope determination of volatile halocarbons and hydrocarbons

    Directory of Open Access Journals (Sweden)

    E. Bahlmann

    2011-10-01

    Full Text Available The isotopic composition of volatile organic compounds (VOCs can provide valuable information on their sources and fate not deducible from mixing ratios alone. In particular the reported carbon stable isotope ratios of chloromethane and bromomethane from different sources cover a δ13C-range of almost 100‰ making isotope ratios a very promising tool for studying the biogeochemistry of these compounds. So far, the determination of the isotopic composition of C1 and C2 halocarbons others than chloromethane is hampered by their low mixing ratios.

    In order to determine the carbon isotopic composition of C1 and C2 halocarbons with mixing ratios as low as 1 pptv (i a field suitable cryogenic high volume sampling system and (ii a chromatographic set up for processing these samples have been developed and validated. The sampling system was tested at two different sampling sites, an urban and a coastal location in Northern Germany. The average δ13C-values for bromomethane at the urban site were −42.9 ± 1.1‰ and agreed well with previously published results. But at the coastal site bromomethane was substantially enriched in 13C by almost 10‰. Less pronounced differences were observed for chlorodifluoromethane, 1,1,1-trichloroethane and chloromethane. We suggest that these differences are related to the turnover of these compounds in ocean surface waters. Furthermore we report first carbon isotope ratios for iodomethane (−40.4‰ to −79.8‰, bromoform (−13.8‰ to 22.9‰, and other halocarbons.

  18. Ethanol Production from Whey by Kluyveromyces marxianus in Batch Fermentation System: Kinetics Parameters Estimation

    Directory of Open Access Journals (Sweden)

    Dessy Ariyanti

    2013-03-01

    Full Text Available Whey is the liquid remaining after milk has been curdled and strained. It is a by-product of the manufacture of cheese or casein and has several commercial uses. In environmental point of view, whey is kind of waste which has high pollution level due to it’s contain high organic compound with BOD and COD value 50 and 80 g/L respectively. On the other side, whey also contain an amount of lactose (4.5%-5%; lactose can be used as carbon source and raw material for producing ethanol via fermentation using yeast strain Kluyveromyces marxianus. The objective of this research is to investigate the ethanol production kinetics from crude whey through fermentation using Kluyveromyces marxianus and to predict the model kinetics parameter. The yeast was able to metabolize most of the lactose within 16 h to give 8.64 g/L ethanol, 4.43 g/L biomass, and remain the 3.122 g/L residual lactose. From the results presented it also can be concluded that common kinetic model for microbial growth, substrate consumption, and product formation is a good alternative to describe an experimental batch fermentation of Kluyveromyces marxianus grown on a medium composed of whey. The model was found to be capable of reflecting all batch culture phases to a certain degree of accuracy, giving the parameter value: μmax, Ks, YX/S, α, β : 0.32, 10.52, 0.095, 1.52, and 0.11 respectively. © 2013 BCREC UNDIP. All rights reserved(Selected Paper from International Conference on Chemical and Material Engineering (ICCME 2012Received: 27th September 2012; Revised: 29th November 2012; Accepted: 7th December 2012[How to Cite: D. Ariyanti, H. Hadiyanto, (2013. Ethanol Production from Whey by Kluyveromyces marxianus in Batch Fermentation System: Kinetics Parameters Estimation. Bulletin of Chemical Reaction Engineering & Catalysis, 7 (3: 179-184. (doi:10.9767/bcrec.7.3.4044.179-184][Permalink/DOI: http://dx.doi.org/10.9767/bcrec.7.3.4044.179-184 ] View in  |

  19. Reactivity of hydrocarbons in response to injection of a CO2/O2 mixture under depleted reservoir conditions: experimental and numerical modeling

    International Nuclear Information System (INIS)

    Pacini-Petitjean, Claire

    2015-01-01

    The geological storage of CO 2 (CO 2 Capture-Storage - CCS) and the Enhanced Oil Recovery (EOR) by CO 2 injection into petroleum reservoirs could limit CO 2 atmospheric accumulation. However, CO 2 can be associated with oxygen. To predict the hydrocarbon evolution under these conditions involves the study of oxidation mechanisms. Oxidation experiment and kinetic detailed modeling were carried out with pure compounds. The comparison between experimental and modeling results led to the construction of a hydrocarbon oxidation kinetic model and emphasized the parameters leading to auto ignition. The good agreement between our experiments and modeling are promising for the development of a tool predicting the critical temperature leading to auto-ignition and the evolution of hydrocarbon composition, to estimate the stability of a petroleum system in CO 2 injection context. (author) [fr

  20. Hydrocarbon-Seeded Ignition System for Small Spacecraft Thrusters Using Ionic Liquid Propellants

    Science.gov (United States)

    Whitmore, Stephen A.; Merkley, Daniel P.; Eilers, Shannon D.; Taylor, Terry L.

    2013-01-01

    "Green" propellants based on Ionic-liquids (ILs) like Ammonium DiNitramide and Hydroxyl Ammonium Nitrate have recently been developed as reduced-hazard replacements for hydrazine. Compared to hydrazine, ILs offer up to a 50% improvement in available density-specific impulse. These materials present minimal vapor hazard at room temperature, and this property makes IL's potentially advantageous for "ride-share" launch opportunities where hazards introduced by hydrazine servicing are cost-prohibitive. Even though ILs present a reduced hazard compared to hydrazine, in crystalline form they are potentially explosive and are mixed in aqueous solutions to buffer against explosion. Unfortunately, the high water content makes IL-propellants difficult to ignite and currently a reliable "coldstart" capability does not exist. For reliable ignition, IL-propellants catalyst beds must be pre-heated to greater than 350 C before firing. The required preheat power source is substantial and presents a significant disadvantage for SmallSats where power budgets are extremely limited. Design and development of a "micro-hybrid" igniter designed to act as a "drop-in" replacement for existing IL catalyst beds is presented. The design requires significantly lower input energy and offers a smaller overall form factor. Unlike single-use "squib" pyrotechnic igniters, the system allows the gas generation cycle to be terminated and reinitiated on demand.

  1. Aryl hydrocarbon receptor 2 mediates the toxicity of Paclobutrazol on the digestive system of zebrafish embryos.

    Science.gov (United States)

    Wang, Wen-Der; Chen, Guan-Ting; Hsu, Hwei-Jan; Wu, Chang-Yi

    2015-02-01

    Paclobutrazol (PBZ), a trazole-containing fungicide and plant growth retardant, has been widely used for over 30 years to regulate plant growth and promote early fruit setting. Long-term usage of PBZ in agriculture and natural environments has resulted in residual PBZ in the soil and water. Chronic exposure to waterborne PBZ can cause various physiological effects in fish, including hepatic steatosis, antioxidant activity, and disruption of spermatogenesis. We have previously shown that PBZ also affects the rates of zebrafish embryonic survival and hatching, and causes developmental failure of the head skeleton and eyes; here, we further show that PBZ has embryonic toxic effects on digestive organs of zebrafish, and describe the underlying mechanisms. PBZ treatment of embryos resulted in dose-dependent morphological and functional abnormalities of the digestive organs. Real-time RT-PCR and in situ hybridization were used to show that PBZ strongly induces cyp1a1 expression in the digestive system, and slightly induces ahr2 expression in zebrafish embryos. Knockdown of ahr2 with morpholino oligonucleotides prevents PBZ toxicity. Thus, the toxic effect of PBZ on digestive organs is mediated by AhR2, as was previously reported for retene and TCDD. These findings have implications for understanding the potential toxicity of PBZ during embryogenesis, and thus the potential impact of fungicides on public health and the environment. Copyright © 2014 Elsevier B.V. All rights reserved.

  2. On the Neutron Kinetics and Control of Accelerator-Driven Systems

    International Nuclear Information System (INIS)

    Cacuci, D.G.

    2004-01-01

    This work addresses fundamental aspects of the time- and space-dependent behavior of an Accelerator-Driven Subcritical Core System (ADS) and presents a paradigm ADS neutron kinetics model that is solved exactly. Thus, this paradigm model can serve for benchmarking two- and/or three-dimensional computational tools. Furthermore, this work also proposes a global optimal control theory framework for the operation and control of an ADS. This framework encompasses conceptually the time- and space-dependent behavior of the ADS coupled neutron kinetics/thermal-hydraulic balance equations and aims at the optimal control of ADS operational objectives, which would include minimization of local flux disturbances, load and source following, etc. Importantly, this new conceptual framework makes no use of a 'fictitious ADS steady state' and yields the correct and complete (i.e., including sources) adjoint equations, without leaving any room for ambiguities. Thus, this new conceptual framework provides a natural basis for developing new computational methods and corresponding verification experiments specifically tailored for the control and operation of ADS

  3. Thermoactivated persulfate oxidation of pesticide chlorpyrifos in aquatic system: kinetic and mechanistic investigations.

    Science.gov (United States)

    Zhou, Lei; Zhang, Ya; Ying, Rongrong; Wang, Guoqing; Long, Tao; Li, Jianhua; Lin, Yusuo

    2017-04-01

    The widespread occurrence of organophosphorus pesticides (OPPs) in the environment poses risks to both ecologic system as well as human health. This study investigated the oxidation kinetics of chlorpyrifos (CP), one of the typical OPPs, by thermoactivated persulfate (PS) oxidation process, and evaluated the influence of key kinetic factors, such as PS concentrations, pH, temperature, bicarbonate, and chloride ions. The reaction pathways and mechanisms were also proposed based on products identification by LC-MS techniques. Our results revealed that increasing initial PS concentration and temperature favored the decomposition of CP, whereas the oxidation efficiency was not affected by pH change ranging from 3 to 11. Bicarbonate was found to play a detrimental role on CP removal rates, while chloride showed no effect. The oxidation pathways including initial oxidation of P=S bond to P=O, dechlorination, dealkylation, and the dechlorination-hydroxylation were proposed, and the detailed underlying mechanisms were also discussed. Molecular orbital (MO) calculations indicated that P=S bond was the most favored oxidation site of the molecule. The toxicity of reaction solution was believed to increase due to the formation of products with P=O structures. This work demonstrates that OPPs can readily react with SO 4 ·- and provides important information for further research on the oxidation of these contaminants.

  4. Kinetics and mechanism of the cutinase-catalyzed transesterification of oils in AOT reversed micellar system.

    Science.gov (United States)

    Badenes, Sara M; Lemos, Francisco; Cabral, Joaquim M S

    2011-11-01

    The kinetics of the enzymatic transesterification between a mixture of triglycerides (oils) and methanol for biodiesel production in a bis(2-ethylhexyl) sodium sulfosuccinate (AOT)/isooctane reversed micellar system, using recombinant cutinase from Fusarium solani pisi as a catalyst, was investigated. In order to describe the results that were obtained, a mechanistic scheme was proposed, based on the literature and on the experimental data. This scheme includes the following reaction steps: the formation of the active enzyme-substrate complex, the addition of an alcohol molecule to the complex followed by the separation of a molecule of the fatty acid alkyl ester and a glycerol moiety, and release of the active enzyme. Enzyme inhibition and deactivation effects due to methanol and glycerol were incorporated in the model. This kinetic model was fitted to the concentration profiles of the fatty acid methyl esters (the components of biodiesel), tri-, di- and monoglycerides, obtained for a 24 h transesterification reaction performed in a stirred batch reactor under different reaction conditions of enzyme and initial substrates concentration.

  5. Radiomimeticity of the system H2O2/Fe(II) on nucleic acid components. Kinetics study

    International Nuclear Information System (INIS)

    Cirauqui, R.; Mingot, F.; Davila, C. A.

    1974-01-01

    The kinetic study of the action of a redox system on DNA monomers allowed us to make criticisms on radiomimetic character of this system. Assuming that in both cases, gamma radiolysis of aerated aqueous solutions and action of H 2 O 2 / Fe(II) system in the same conditions, the reactive species is the OH radical, we propose the kinetic expressions that are confirmed by our experimental results. Some of the accepted G-values are corrected in view of our results. Al so these results put in evidence mechanisms of molecular repair after radical attack. (Author) 79 refs

  6. Assessments of the kinetic and dynamic transient behavior of sub-critical systems (ADS) in comparison to critical reactor systems

    International Nuclear Information System (INIS)

    Schikorr, W.M.

    2001-01-01

    The neutron kinetic and the reactor dynamic behavior of Accelerator Driven Systems (ADS) is significantly different from those of conventional power reactor systems currently in use for the production of power. It is the objective of this study to examine and to demonstrate the intrinsic differences of the kinetic and dynamic behavior of accelerator driven systems to typical plant transient initiators in comparison to the known, kinetic and dynamic behavior of critical thermal and fast reactor systems. It will be shown that in sub-critical assemblies, changes in reactivity or in the external neutron source strength lead to an asymptotic power level essentially described by the instantaneous power change (i.e. prompt jump). Shutdown of ADS operating at high levels of sub-criticality, (i.e. k eff ∼0.99), without the support of reactivity control systems (such as control or safety rods), may be problematic in case the ability of cooling of the core should be impaired (i.e. loss of coolant flow). In addition, the dynamic behavior of sub-critical systems to typical plant transients such as protected or unprotected loss of flow (LOF) or heat sink (LOH) transients are not necessarily substantially different from the plant dynamic behavior of critical systems if the reactivity feedback coefficients of the ADS design are unfavorable. As expected, the state of sub-criticality and the temperature feedback coefficients, such as Doppler and coolant temperature coefficient, play dominant roles in determining the course and direction of plant transients. Should the combination of these safety coefficients be very unfavorable, not much additional margin in safety may be gained by making a critical system only sub-critical (i.e. k eff ∼0.95). A careful optimization procedure between the selected operating level of sub-criticality, the safety reactivity coefficients and the possible need for additional reactivity control systems seems, therefore, advisable during the early

  7. A novel forward osmosis system in landfill leachate treatment for removing polycyclic aromatic hydrocarbons and for direct fertigation.

    Science.gov (United States)

    Li, Jing; Niu, Aping; Lu, Chun-Jiao; Zhang, Jing-Hui; Junaid, Muhammad; Strauss, Phyllis R; Xiao, Ping; Wang, Xiao; Ren, Yi-Wei; Pei, De-Sheng

    2017-02-01

    Landfill leachate (LL) is harmful to aquatic environment because it contains high concentrations of dissolved organic matter, inorganic components, heavy metals, and other xenobiotics. Thus, the remediation of LL is crucial for environmental conservation. Here, a potential application of the forward osmosis (FO) filtration process with ammonium bicarbonate (NH 4 HCO 3 ) as a draw solution (DS) was investigated to remediate membrane bioreactor-treated LL (M-LL). After the leachate treatment, the toxicity and removal efficiencies of polycyclic aromatic hydrocarbons (PAHs) were evaluated using zebrafish and cultured human cells. The water recovery rate was improved using the current protocol up to 86.6% and 91.6% by both the pressure retarded osmosis (PRO) mode and the forward osmosis (FO) mode. Water flux increased with the increasing DS concentrations, but solution velocities decreased with the operation time. Toxicity tests revealed that the M-LL treated by NH 4 HCO 3 had no toxic effect on zebrafish and human cells. Moreover, green fluorescent protein (GFP) expression in the transgenic zebrafish Tg(cyp1a:gfp) induced by PAHs was very weak compared to the effects induced by untreated M-LL. Since the diluted DS met local safety requirements of liquid fertilizer, it could be directly applied as the liquid fertilizer for fertigation. In conclusion, this novel FO system using NH 4 HCO 3 as the DS provides a cheap and efficient protocol to effectively remove PAHs and other pollutants in LL, and the diluted DS can be directly applied to crops as a liquid fertilizer, indicating that this technique is effective and eco-friendly for the treatment of different types of LL. Copyright © 2016 Elsevier Ltd. All rights reserved.

  8. Distribution, partitioning and sources of polycyclic aromatic hydrocarbons in the water–SPM–sediment system of Lake Chaohu, China

    Energy Technology Data Exchange (ETDEWEB)

    Qin, Ning [MOE Laboratory for Earth Surface Processes, College of Urban and Environmental Sciences, Peking University, Beijing 100871 (China); State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); He, Wei; Kong, Xiang-Zhen; Liu, Wen-Xiu; He, Qi-Shuang; Yang, Bin; Wang, Qing-Mei; Yang, Chen; Jiang, Yu-Jiao [MOE Laboratory for Earth Surface Processes, College of Urban and Environmental Sciences, Peking University, Beijing 100871 (China); Jorgensen, Sven Erik [Section of Toxicology and Environmental Chemistry, Institute A, University of Copenhagen, University Park 2, DK 2100, Copenhagen Ø (Denmark); Xu, Fu-Liu, E-mail: xufl@urban.pku.edu.cn [MOE Laboratory for Earth Surface Processes, College of Urban and Environmental Sciences, Peking University, Beijing 100871 (China); Zhao, Xiao-Li, E-mail: zhaoxiaoli_zxl@126.com [State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China)

    2014-10-15

    The residual levels of polycyclic aromatic hydrocarbons (PAHs) in the water, suspended particular matter (SPM) and sediment from Lake Chaohu were measured with a gas chromatograph–mass spectrometer (GC–MS). The spatial–temporal distributions and the SPM–water partition of PAHs and their influencing factors were investigated. The potential sources and contributions of PAHs in the sediment were estimated by positive matrix factorization (PMF) and probabilistic stable isotopic analysis (PSIA). The results showed that the average residual levels of total PAHs (PAH16) in the water, SPM and sediment were 170.7 ± 70.8 ng/L, 210.7 ± 160.7 ng/L and 908.5 ± 1878.1 ng/g dry weight, respectively. The same spatial distribution trend of PAH16 in the water, SPM and sediment was found from high to low: river inflows > western lake > eastern lake > water source area. There was an obvious seasonal trend of PAH16 in the water, while no obvious seasonal trend was found in the SPM. The residues and distributions of PAHs in the water, SPM and sediment relied heavily on carbon content. Significant Pearson correlations were found between LogK{sub oc} and LogK{sub ow} as well as some hydro-meteorological factors. Three major sources of PAHs including coal and biomass combustions, and vehicle emissions were identified. - Highlights: • Highest residual level of total PAHs in the SPM was detected. • Similar spatial trend of PAH16 in the water, SPM and sediment. • PAHs distributions in the water-sediment system relied heavily on organic carbon. • Correlations between LogK{sub oc} and LogK{sub ow} as well as hydro-meteorological factors. • Coal and biomass combustions and vehicle emissions were three major sources of PAHs.

  9. Childhood exposure to ambient polycyclic aromatic hydrocarbons is linked to epigenetic modifications and impaired systemic immunity in T cells

    Science.gov (United States)

    Hew, K. M.; Walker, A. I.; Kohli, A.; Garcia, M.; Syed, A.; McDonald-Hyman, C.; Noth, E. M.; Mann, J. K.; Pratt, B.; Balmes, J.; Hammond, S. Katharine; Eisen, E. A.; Nadeau, K. C.

    2015-01-01

    Summary Background Evidence suggests that exposure to polycyclic aromatic hydrocarbons (PAHs) increases atopy; it is unclear how PAH exposure is linked to increased severity of atopic diseases. Objective We hypothesized that ambient PAH exposure is linked to impairment of immunity in atopic children (defined as children with asthma and/or allergic rhinitis) from Fresno, California, an area with elevated ambient PAHs. Methods We recruited 256 subjects from Fresno, CA. Ambient PAH concentrations (ng/m3) were measured using a spatial-temporal regression model over multiple time periods. Asthma diagnosis was determined by current NHLBI criteria. Phenotyping and functional immune measurements were performed from isolated cells. For epigenetic measurements, DNA was isolated and pyrosequenced. Results We show that higher average PAH exposure was significantly associated with impaired Treg function and increased methylation in the forkhead box protein 3 (FOXP3) locus (P < 0.05), conditional on atopic status. These epigenetic modifications were significantly linked to differential protein expression of FOXP3 (P < 0.001). Methylation was associated with cellular functional changes, specifically Treg dysfunction, and an increase in total plasma IgE levels. Protein expression of IL-10 decreased and IFN-γ increased as the extent of PAH exposure increased. The strength of the associations generally increased as the time window for average PAH exposure increased from 24 hr to 1 year, suggesting more of a chronic response. Significant associations with chronic PAH exposure and immune outcomes were also observed in subjects with allergic rhinitis. Conclusions and Clinical Relevance Collectively, these results demonstrate that increased ambient PAH exposure is associated with impaired systemic immunity and epigenetic modifications in a key locus involved in atopy: FOXP3, with a higher impact on atopic children. The results suggest that increased atopic clinical symptoms in children

  10. Development of a model system to study fuel autoxidation in supercritical media: decomposition kinetics of 2,2{prime}-azobis (isobutyronitrile) in supercritical carbon dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Morris, R.E.; Mera, A.E.; Brady, R.F. Jr. [Naval Research Laboratory, Washington, DC (USA)

    2000-07-01

    A high pressure reactor has been constructed and used for in situ spectroscopic measurements of reaction kinetics in supercritical fluids. The thermal decomposition of 2,2{prime}-azobis(isobutyronitrile) (AIBN) in supercritical carbon dioxide (SC-CO{sub 2}) was studied as part of an effort to characterize free-radical autoxidation of hydrocarbon fuels under supercritical conditions. The findings show that AIBN decomposes both thermally and photochemically in SC-CO{sub 2} to form the 2-cyano-2-propyl free radical which dimerizes to form tetramethylsuccinic dinitrile and dimethyl-N-(2-cyano-2-propyl) ketenimine. Examination of the decomposition kinetics of the ketenimine revealed that it was photochemically stable in the kinetic reactor, but decomposed thermally to form the dinitrile. 21 refs., 4 figs., 1 tab.

  11. Kinetics and mechanism of oxygen reduction reaction at CoPd system synthesized on XC72

    International Nuclear Information System (INIS)

    Tarasevich, M.R.; Chalykh, A.E.; Bogdanovskaya, V.A.; Kuznetsova, L.N.; Kapustina, N.A.; Efremov, B.N.; Ehrenburg, M.R.; Reznikova, L.A.

    2006-01-01

    Studies are presented of the kinetics and mechanism of oxygen electroreduction reaction on CoPd catalysts synthesized on carbon black XC72. As shown both in model conditions and in the tests within the cathodes of hydrogen-oxygen fuel cells with proton conducting electrolyte, CoPd/C system features a higher activity, as compared to Co/C. The highest activity in the oxygen reduction reaction is demonstrated by the catalysts with the Pd:Co atomic ratio being 7:3 and 4:1. The structural studies (XPS and XRD, and also the data of CO desorption measurements) evidence the CoPd alloy formation, which is reflected in the negative shift of the bonding energy maximum as compared to Pd/C and in the appearance of the additional CO desorption maximums on the voltammograms. It is found by means of structural research that CoPd alloy is formed in the course of the catalyst synthesis which features a higher catalytic activity of the binary systems. Besides, CoPd/C catalyst is more stable in respect to corrosion than Pd supported on carbon black. The measurements on the rotating disc electrode and rotating ring-disc electrode evidence that CoPd/C system provides the predominant oxygen reduction to water in the practically important range of potentials (E > 0.7 V). The proximity of kinetic parameters of the oxygen reduction reaction on CoPd/C and Pt/C catalysts points to the similar reaction mechanism. The slow step of the reaction is the addition of the first electron to the adsorbed and previously protonated O 2 molecule. The assumptions are offered about the reasons causing the higher activity and selectivity of the binary catalyst towards oxygen reduction to water, as compared to Co/C. The studies of the most active catalysts within the fuel cell cathodes are performed

  12. Equilibrium passive sampling as a tool to study polycyclic aromatic hydrocarbons in Baltic Sea sediment pore-water systems

    DEFF Research Database (Denmark)

    Lang, Susann-Cathrin; Hursthouse, Andrew; Mayer, Philipp

    2015-01-01

    Solid Phase Microextraction (SPME) was applied to provide the first large scale dataset of freely dissolved concentrations for 9 polycyclic aromatic hydrocarbons (PAHs) in Baltic Sea sediment cores. Polydimethylsiloxane (PDMS) coated glass fibers were used for ex-situ equilibrium sampling followed...

  13. Biodegradation testing of hydrophobic chemicals in mixtures at low concentrations – covering the chemical space of petroleum hydrocarbons

    DEFF Research Database (Denmark)

    Birch, Heidi; Hammershøj, Rikke Høst; Mayer, Philipp

    Petroleum products are complex mixtures of varying composition containing thousands of hydrocarbons each with their own physicochemical properties and degradation kinetics. One approach for risk assessment of these products is therefore to group the hydrocarbons by carbon number and chemical class...... i.e. hydrocarbon blocks. However, the biodegradation kinetic data varies in quantity and quality for the different hydrocarbon blocks, hampering the characterization of their fate properties. In this study, biodegradation kinetics of a large number of hydrocarbons aiming to cover the chemical space...... of petroleum hydrocarbons, were therefore determined at ng/L to µg/L concentrations in surface water, seawater and activated sludge filtrate. Two hydrocarbon mixtures were prepared, comprising a total of 53 chemicals including paraffins, naphthenics and aromatic hydrocarbons from C8 to C20. Passive dosing from...

  14. Effects of oil dispersant on solubilization, sorption and desorption of polycyclic aromatic hydrocarbons in sediment–seawater systems

    International Nuclear Information System (INIS)

    Zhao, Xiao; Gong, Yanyan; O’Reilly, S.E.; Zhao, Dongye

    2015-01-01

    Highlights: • Oil dispersant enhances solubilization of PAHs more effectively than surfactants. • Dispersant and dispersed oil enhance sediment sorption of PAHs and induce hysteresis. • Partitioning to sediment-sorbed dispersant is the mechanism for enhanced PAH uptake. • Dual-mode models well simulate dispersant-facilitated sorption of PAHs on sediment. • Deepwater conditions reduce solubilization of PAHs and lessen dispersant effects. - Abstract: This work investigated effects of a prototype oil dispersant on solubilization, sorption and desorption of three model PAHs in sediment–seawater systems. Increasing dispersant dosage linearly enhanced solubility for all PAHs. Conversely, the dispersant enhanced the sediment uptake of the PAHs, and induced significant desorption hysteresis. Such contrasting effects (adsolubilization vs. solubilization) of dispersant were found dependent of the dispersant concentration and PAH hydrophobicity. The dual-mode models adequately simulated the sorption kinetics and isotherms, and quantified dispersant-enhanced PAH uptake. Sorption of naphthalene and 1-methylnaphthalene by sediment positively correlated with uptake of the dispersant, while sorption of pyrene dropped sharply when the dispersant exceeded its critical micelle concentration (CMC). The deepwater conditions diminished the dispersant effects on solubilization, but enhanced uptake of the PAHs, albeit sorption of the dispersant was lowered. The information may aid in understanding roles of dispersants on distribution, fate and transport of petroleum PAHs in marine systems

  15. Neutron kinetics of fluid-fuel systems by the quasi-static method

    International Nuclear Information System (INIS)

    Dulla, S.; Ravetto, P.; Rostagno, M.M.

    2004-01-01

    The quasi-static method for the neutron kinetics of nuclear reactors is generalized for application to neutron multiplying systems fueled by a fluid multiplying material, typically a mixture of fissile molten salts. The method is derived by the application of factorization formulae for both the neutron density and the delayed precursor concentrations and the projection of the balance equations upon a weighting function. A physically meaningful weight can be assumed as the solution of the adjoint model, which is constructed for the situation considered, including delayed neutrons. The quasi-static scheme is then applied to calculations of some transients for a typical configuration of a molten-salt reactor, in a multigroup diffusion model with a one-dimensional slug-flow velocity field. The physical features associated to the motion of the fissile material are highlighted

  16. Superconductor Microwave Kinetic Inductance Detectors: System Model of the Readout Electronics

    Directory of Open Access Journals (Sweden)

    F. Alimenti

    2009-06-01

    Full Text Available This paper deals with the readout electronics needed by superconductor Microwave Kinetic Inductance Detectors (MKIDs. MKIDs are typically implemented in the form of cryogenic-cooled high quality factor microwave resonator. The natural frequency of these resonators changes as a millimeter or sub-millimeter wave radiation impinges on the resonator itself. A quantitative system model of the readout electronics (very similar to that of a vector network analyzer has been implemented under ADS environment and tested by several simulation experiments. The developed model is a tool to further optimize the readout electronic and to design the frequency allocation of parallel-connected MKIDs resonators. The applications of MKIDs will be in microwave and millimeter-wave radiometric imaging as well as in radio-astronomy focal plane arrays.

  17. Thermodynamics and Kinetics of Advanced Separations Systems – FY 2010 Summary Report

    Energy Technology Data Exchange (ETDEWEB)

    Leigh R. Martin; Peter R. Zalupski

    2010-09-01

    This report presents a summary of the work performed in the area of thermodynamics and kinetics of advanced separations systems under the Fuel Cycle Research and Development (FCR&D) program during FY 2010. Thermodynamic investigations into metal extraction dependencies on lactate and HDEHP have been performed. These metal distribution studies indicate a substantial deviation from the expected behavior at conditions that are typical of TALSPEAK process operational platform. These studies also identify that no thermodynamically stable mixed complexes exist in the aqueous solutions and increasing the complexity of the organic medium appears to influence the observed deviations. Following on from this, the first calorimetric measurement of the heat of extraction of americium across a liquid-liquid boundary was performed.

  18. Thermodynamics and Kinetics of Advanced Separations Systems - FY 2010 Summary Report

    International Nuclear Information System (INIS)

    Martin, Leigh R.; Zalupski, Peter R.

    2010-01-01

    This report presents a summary of the work performed in the area of thermodynamics and kinetics of advanced separations systems under the Fuel Cycle Research and Development (FCR and D) program during FY 2010. Thermodynamic investigations into metal extraction dependencies on lactate and HDEHP have been performed. These metal distribution studies indicate a substantial deviation from the expected behavior at conditions that are typical of TALSPEAK process operational platform. These studies also identify that no thermodynamically stable mixed complexes exist in the aqueous solutions and increasing the complexity of the organic medium appears to influence the observed deviations. Following on from this, the first calorimetric measurement of the heat of extraction of americium across a liquid-liquid boundary was performed.

  19. Modelling phase separation in Fe-Cr system using different atomistic kinetic Monte Carlo techniques

    International Nuclear Information System (INIS)

    Castin, N.; Bonny, G.; Terentyev, D.; Lavrentiev, M.Yu.; Nguyen-Manh, D.

    2011-01-01

    Atomistic kinetic Monte Carlo (AKMC) simulations were performed to study α-α' phase separation in Fe-Cr alloys. Two different energy models and two approaches to estimate the local vacancy migration barriers were used. The energy models considered are a two-band model Fe-Cr potential and a cluster expansion, both fitted to ab initio data. The classical Kang-Weinberg decomposition, based on the total energy change of the system, and an Artificial Neural Network (ANN), employed as a regression tool were used to predict the local vacancy migration barriers 'on the fly'. The results are compared with experimental thermal annealing data and differences between the applied AKMC approaches are discussed. The ability of the ANN regression method to accurately predict migration barriers not present in the training list is also addressed by performing cross-check calculations using the nudged elastic band method.

  20. Determination of descriptors for polycyclic aromatic hydrocarbons and related compounds by chromatographic methods and liquid-liquid partition in totally organic biphasic systems.

    Science.gov (United States)

    Ariyasena, Thiloka C; Poole, Colin F

    2014-09-26

    Retention factors on several columns and at various temperatures using gas chromatography and from reversed-phase liquid chromatography on a SunFire C18 column with various mobile phase compositions containing acetonitrile, methanol and tetrahydrofuran as strength adjusting solvents are combined with liquid-liquid partition coefficients in totally organic biphasic systems to calculate descriptors for 23 polycyclic aromatic hydrocarbons and eighteen related compounds of environmental interest. The use of a consistent protocol for the above measurements provides descriptors that are more self consistent for the estimation of physicochemical properties (octanol-water, air-octanol, air-water, aqueous solubility, and subcooled liquid vapor pressure). The descriptor in this report tend to have smaller values for the L and E descriptors and random differences in the B and S descriptors compared with literature sources. A simple atom fragment constant model is proposed for the estimation of descriptors from structure for polycyclic aromatic hydrocarbons. The new descriptors show no bias in the prediction of the air-water partition coefficient for polycyclic aromatic hydrocarbons unlike the literature values. Copyright © 2014 Elsevier B.V. All rights reserved.

  1. Numerical Modeling of Lead Oxidation in Controlled Lead Bismuth Eutectic Systems: Chemical Kinetics and Hydrodynamic Effects

    International Nuclear Information System (INIS)

    Wu, Chao; Kanthi Kiran Dasika; Chen, Yitung; Moujaes, Samir

    2002-01-01

    Using liquid Lead-Bismuth Eutectic (LBE) as coolant in nuclear systems has been studied for more than 50 years. And LBE has many unique nuclear, thermo physical and chemical attributes which are attractive for practical application. But, corrosion is one of the greatest concerns in using liquid Lead-Bismuth Eutectic (LBE) as spallation target in the Accelerator-driven Transmutation of Waste (ATW) program. Los Alamos National Laboratory has designed and built the Liquid Lead-Bismuth Materials Test Loop (MTL) to study the materials behavior in a flow of molten LBE. A difference of 100 deg. C was designed between the coldest and the hottest parts at a nominal flow rate of 8.84 GPM. Liquid LBE flow was activated by a mechanical sump pump or by natural convection. In order to maintain a self-healing protective film on the surface of the stainless steel pipe, a certain concentration of oxygen has to be maintained in the liquid metal. Therefore, it is of importance to understand what the oxygen concentrations are in the LBE loop related to the corrosion effects on the metal surface, the temperature profiles, the flow rates, and diffusion rates through the metal surface. The chemical kinetics also needs to be fully understood in the corrosion processes coupled with the hydrodynamics. The numerical simulation will be developed and used to analyze the system corrosion effects with different kind of oxygen concentrations, flow rates, chemical kinetics, and geometries. The hydrodynamics modeling of using computational fluid dynamics will provide the necessary the levels of oxygen and corrosion products close to the boundary or surface. This paper presents an approach towards the above explained tasks by analyzing the reactions between the Lead and oxygen at a couple of sections in the MTL. Attempt is also made to understand the surface chemistry by choosing an example model and estimating the near wall surface concentration values for propane and oxygen. (authors)

  2. Petroleum systems and hydrocarbon accumulation models in the Santos Basin, SP, Brazil; Sistemas petroliferos e modelos de acumulacao de hidrocarbonetos na Bacia de Santos

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Hung Kiang; Assine, Mario Luis; Correa, Fernando Santos; Tinen, Julio Setsuo [Universidade Estadual Paulista (UNESP), Rio Claro, SP (Brazil). Lab. de Estudos de Bacias]. E-mails: chang@rc.unesp.br; assine@rc.unesp.br; fscorrea@rc.unesp.br; jstinen@rc.unesp.br; Vidal, Alexandre Campane; Koike, Luzia [Universidade Estadual de Campinas (UNICAMP), Campinas, SP (Brazil). Centro de Estudos de Petroleo]. E-mails: vidal@ige.unicamp.br; luzia@iqm.unicamp.br

    2008-07-01

    The Santos Basin was formed by rifting process during Mesozoic Afro-American separation. Sediment accumulation initiated with fluvial-lacustrine deposits, passing to evaporitic stage until reaching marginal basin stages. The analysis of hydrocarbon potential of Santos Basin identified two petroleum systems: Guaratiba-Guaruja and Itajai-Acu-Ilhabela. The Guaratiba Formation is less known in the Santos Basin because of small number of wells that have penetrated the rift section. By comparison with Campos Basin, hydrocarbons are of saline lacustrine origin deposited in Aptian age. Analogous to Campos Basin the major source rock is of saline-lacustrine origin, which has been confirmed from geochemical analyses of oil samples recovered from the various fields. These analyses also identified marine source rock contribution, indicating the Itajai-Acu source rock went through oil-window, particularly in structural lows generated by halokynesis. Models of hydrocarbon accumulation consider Guaratiba Formacao as the major source rock for shallow carbonate reservoirs of Guaruja Formacao and for late Albian to Miocene turbidites, as well as siliciclastic and carbonate reservoirs of the rift phase. Migration occurs along salt window and through carrier-beds. The seal rock is composed of shales and limestones intercalated with reservoir facies of the post-rift section and by thick evaporites overlying rift section, especially in the deeper water. In the shallow portion, shale inter-tongued with reservoir rocks is the main seal rock. The hydrocarbon generation and expulsion in the central-north portion of the basin is caused by overburden of a thick Senonian section. Traps can be structural (rollovers and turtle), stratigraphic (pinch-outs) and mixed origins (pinch-outs of turbidites against salt domes). (author)

  3. Converting high boiling hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Terrisse, H; DuFour, L

    1929-02-12

    A process is given for converting high boiling hydrocarbons into low boiling hydrocarbons, characterized in that the high boiling hydrocarbons are heated to 200 to 500/sup 0/C in the presence of ferrous chloride and of such gases as hydrogen, water gas, and the like gases under a pressure of from 5 to 40 kilograms per square centimeter. The desulfurization of the hydrocarbons occurs simultaneously.

  4. Feedstock Supply System Design and Economics for Conversion of Lignocellulosic Biomass to Hydrocarbon Fuels: Conversion Pathway: Biological Conversion of Sugars to Hydrocarbons The 2017 Design Case

    Energy Technology Data Exchange (ETDEWEB)

    Kevin Kenney; Kara G. Cafferty; Jacob J. Jacobson; Ian J Bonner; Garold L. Gresham; William A. Smith; David N. Thompson; Vicki S. Thompson; Jaya Shankar Tumuluru; Neal Yancey

    2013-09-01

    The U.S. Department of Energy promotes the production of a range of liquid fuels and fuel blendstocks from lignocellulosic biomass feedstocks by funding fundamental and applied research that advances the state of technology in biomass collection, conversion, and sustainability. As part of its involvement in this program, the Idaho National Laboratory (INL) investigates the feedstock logistics economics and sustainability of these fuels. Between 2000 and 2012, INL conducted a campaign to quantify the economics and sustainability of moving biomass from standing in the field or stand to the throat of the biomass conversion process. The goal of this program was to establish the current costs based on conventional equipment and processes, design improvements to the current system, and to mark annual improvements based on higher efficiencies or better designs. The 2012 programmatic target was to demonstrate a delivered biomass logistics cost of $35/dry ton. This goal was successfully achieved in 2012 by implementing field and process demonstration unit-scale data from harvest, collection, storage, preprocessing, handling, and transportation operations into INL’s biomass logistics model. Looking forward to 2017, the programmatic target is to supply biomass to the conversion facilities at a total cost of $80/dry ton and on specification with in-feed requirements. The goal of the 2017 Design Case is to enable expansion of biofuels production beyond highly productive resource areas by breaking the reliance of cost-competitive biofuel production on a single, abundant, low-cost feedstock. If this goal is not achieved, biofuel plants are destined to be small and/or clustered in select regions of the country that have a lock on low-cost feedstock. To put the 2017 cost target into perspective of past accomplishments of the cellulosic ethanol pathway, the $80 target encompasses total delivered feedstock cost, including both grower payment and logistics costs, while meeting all

  5. Reply to "Domain-growth kinetics of systems with soft walls''

    DEFF Research Database (Denmark)

    Mouritsen, Ole G.; Præstgaard, Eigil

    1988-01-01

    On the basis of computer-simulation results for three different models with soft domain walls it is argued that the zero-temperature domain-growth kinetics falls in a separate universality class characterized by a kinetic growth exponent n≃0.25. However, for finite temperatures there is a distinct...... crossover to Lifshitz-Allen-Cahn kinetics n=0.50, thus suggesting that the soft-wall and hard-wall universality classes become identical at finite temperatures....

  6. The influence of pH adjustment on kinetics parameters in tapioca wastewater treatment using aerobic sequencing batch reactor system

    Science.gov (United States)

    Mulyani, Happy; Budianto, Gregorius Prima Indra; Margono, Kaavessina, Mujtahid

    2018-02-01

    The present investigation deals with the aerobic sequencing batch reactor system of tapioca wastewater treatment with varying pH influent conditions. This project was carried out to evaluate the effect of pH on kinetics parameters of system. It was done by operating aerobic sequencing batch reactor system during 8 hours in many tapioca wastewater conditions (pH 4.91, pH 7, pH 8). The Chemical Oxygen Demand (COD) and Mixed Liquor Volatile Suspended Solids (MLVSS) of the aerobic sequencing batch reactor system effluent at steady state condition were determined at interval time of two hours to generate data for substrate inhibition kinetics parameters. Values of the kinetics constants were determined using Monod and Andrews models. There was no inhibition constant (Ki) detected in all process variation of aerobic sequencing batch reactor system for tapioca wastewater treatment in this study. Furthermore, pH 8 was selected as the preferred aerobic sequencing batch reactor system condition in those ranging pH investigated due to its achievement of values of kinetics parameters such µmax = 0.010457/hour and Ks = 255.0664 mg/L COD.

  7. 33 CFR 157.166 - Hydrocarbon emissions.

    Science.gov (United States)

    2010-07-01

    ... 33 Navigation and Navigable Waters 2 2010-07-01 2010-07-01 false Hydrocarbon emissions. 157.166 Section 157.166 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED... Crude Oil Washing (COW) System on Tank Vessels Cow Operations § 157.166 Hydrocarbon emissions. If the...

  8. A study of calculation methodology and experimental measurements of the kinetic parameters for source driven subcritical systems

    International Nuclear Information System (INIS)

    Lee, Seung Min

    2009-01-01

    This work presents a theoretical study of reactor kinetics focusing on the methodology of calculation and the experimental measurements of the so-called kinetic parameters. A comparison between the methodology based on the Dulla's formalism and the classical method is made. The objective is to exhibit the dependence of the parameters on subcriticality level and perturbation. Two different slab type systems were considered: thermal one and fast one, both with homogeneous media. One group diffusion model was used for the fast reactor, and for the thermal system, two groups diffusion model, considering, in both case, only one precursor's family. The solutions were obtained using the expansion method. Also, descriptions of the main experimental methods of measurements of the kinetic parameters are presented in order to put a question about the compatibility of these methods in subcritical region. (author)

  9. Catalytic pyrolysis of hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Vail' eva, N A; Buyanov, R A

    1979-01-01

    Catalytic pyrolysis of petroleum fractions (undecane) was performed with the object of clarifying such questions as the mechanism of action of the catalyst, the concepts of activity and selectivity of the catalyst, the role of transport processes, the temperature ranges and limitations of the catalytic process, the effect of the catalyst on secondary processes, and others. Catalysts such as quartz, MgO, Al/sub 2/O/sub 3/, were used. Analysis of the experimental findings and the fact that the distribution of products is independent of the nature of the surface, demonstrate that the pyrolysis of hydrocarbons in the presence of catalysts is based on the heterogeneous-homogeneous radical-chain mechanism of action, and that the role of the catalysts reduces to increasing the concentration of free radicals. The concept of selectivity cannot be applied to catalysts here, since they do not affect the mechanism of the unfolding of the process of pyrolysis and their role consists solely in initiating the process. In catalytic pyrolysis the concepts of kinetic and diffusive domains of unfolding of the catalytic reaction do not apply, and only the outer surface of the catalyst is engaged, whereas the inner surface merely promotes deletorious secondary processes reducing the selectivity of the process and the activity of the catalyst. 6 references, 2 figures.

  10. High-Throughput Study of Diffusion and Phase Transformation Kinetics of Magnesium-Based Systems for Automotive Cast Magnesium Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Alan A [The Ohio State Univ., Columbus, OH (United States); Zhao, Ji-Cheng [The Ohio State Univ., Columbus, OH (United States); Riggi, Adrienne [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Joost, William [US Dept. of Energy, Washington, DC (United States)

    2017-10-02

    The objective of the proposed study is to establish a scientific foundation on kinetic modeling of diffusion, phase precipitation, and casting/solidification, in order to accelerate the design and optimization of cast magnesium (Mg) alloys for weight reduction of U.S. automotive fleet. The team has performed the following tasks: 1) study diffusion kinetics of various Mg-containing binary systems using high-throughput diffusion multiples to establish reliable diffusivity and mobility databases for the Mg-aluminum (Al)-zinc (Zn)-tin (Sn)-calcium (Ca)-strontium (Sr)-manganese (Mn) systems; 2) study the precipitation kinetics (nucleation, growth and coarsening) using both innovative dual-anneal diffusion multiples and cast model alloys to provide large amounts of kinetic data (including interfacial energy) and microstructure atlases to enable implementation of the Kampmann-Wagner numerical model to simulate phase transformation kinetics of non-spherical/non-cuboidal precipitates in Mg alloys; 3) implement a micromodel to take into account back diffusion in the solid phase in order to predict microstructure and microsegregation in multicomponent Mg alloys during dendritic solidification especially under high pressure die-casting (HPDC) conditions; and, 4) widely disseminate the data, knowledge and information using the Materials Genome Initiative infrastructure (http://www.mgidata.org) as well as publications and digital data sharing to enable researchers to identify new pathways/routes to better cast Mg alloys.

  11. DENSE MULTIPHASE FLOW SIMULATION: CONTINUUM MODEL FOR POLY-DISPERSED SYSTEMS USING KINETIC THEORY

    Energy Technology Data Exchange (ETDEWEB)

    Moses Bogere

    2011-08-31

    The overall objective of the project was to verify the applicability of the FCMOM approach to the kinetic equations describing the particle flow dynamics. For monodispersed systems the fundamental equation governing the particle flow dynamics is the Boltzmann equation. During the project, the FCMOM was successfully applied to several homogeneous and in-homogeneous problems in different flow regimes, demonstrating that the FCMOM has the potential to be used to solve efficiently the Boltzmann equation. However, some relevant issues still need to be resolved, i.e. the homogeneous cooling problem (inelastic particles cases) and the transition between different regimes. In this report, the results obtained in homogeneous conditions are discussed first. Then a discussion of the validation results for in-homogeneous conditions is provided. And finally, a discussion will be provided about the transition between different regimes. Alongside the work on development of FCMOM approach studies were undertaken in order to provide insights into anisotropy or particles kinetics in riser hydrodynamics. This report includes results of studies of multiphase flow with unequal granular temperatures and analysis of momentum re-distribution in risers due to particle-particle and fluid-particle interactions. The study of multiphase flow with unequal granular temperatures entailed both simulation and experimental studies of two particles sizes in a riser and, a brief discussion of what was accomplished will be provided. And finally, a discussion of the analysis done on momentum re-distribution of gas-particles flow in risers will be provided. In particular a discussion of the remaining work needed in order to improve accuracy and predictability of riser hydrodynamics based on two-fluid models and how they can be used to model segregation in risers.

  12. FY-2011 Status Report for Thermodynamics and Kinetics of Advanced Separations Systems

    Energy Technology Data Exchange (ETDEWEB)

    Leigh R. Martin; Peter R. Zalupski; Travis S. Grimes

    2011-09-01

    This report presents a summary of the work performed in the area of thermodynamics and kinetics of advanced separations systems under the Fuel Cycle Research and Development (FCR&D) program during FY 2011 at the INL. On the thermodynamic front, investigations of liquid-liquid distribution of lanthanides at TALSPEAK-related conditions continued in FY11. It has been determined that a classical ion-exchanging phase transfer mechanism, where three HDEHP dimers solvate the metal ion in the organic phase, dominates metal extraction for systems that contain up to 0.1 M free lactate in solution. The correct graphical interpretation of the observed data in those regions relied on incorporating corrections for non-ideal behavior of HDEHP dimer in aliphatic diluents as well as sodium extraction equilibria. When aqueous conditions enter the complex regions of high lactate concentrations, slope analysis is no longer possible. When normalized metal distribution ratios were studied along the increasing concentration of free lactate, a slope of -1 was apparent. Such dependency either indicates aqueous complexing competition from lactate, or, a more likely scenario, a participation of lactate in the extracted metal complex. This finding agrees with our initial assessment of postulated changes in the extraction mechanism as a source of the lactate-mediated loss of extraction efficiency. The observed shape in the lanthanide distribution curve in our studies of TALSPEAK systems was the same for solutions containing no lactate or 2.3 M lactate. As such we may conclude that the mechanism of phase transfer is not altered dramatically and remains similarly sensitive to effective charge density of the metal ion. In addition to these thermodynamics studies, this report also summarizes the first calorimetric determination of heat of extraction of 248Cm in a bi-phasic system. The heat of extraction measured by isothermal titration calorimetry is compared to that determined using van

  13. Linking genes to microbial growth kinetics: an integrated biochemical systems engineering approach

    NARCIS (Netherlands)

    Koutinas, M.; Kiparissides, A.; Silva-Rocha, R.; Lam, M.C.; Martins Dos Santos, V.A.P.; Lorenzo, de V.; Pistikopoulos, E.N.; Mantalaris, A.

    2011-01-01

    The majority of models describing the kinetic properties of a microorganism for a given substrate are unstructured and empirical. They are formulated in this manner so that the complex mechanism of cell growth is simplified. Herein, a novel approach for modelling microbial growth kinetics is

  14. Kinetics and dynamics of cyclosporine A in three hepatic cell culture systems

    NARCIS (Netherlands)

    Bellwon, P; Truisi, G L; Bois, Frederic Y; Wilmes, A; Schmidt, T.; Savary, C C; Parmentier, C.C.; Hewitt, P.G.; Schmal, O; Josse, R.; Richert, L.; Guillouzo, A; Mueller, S O; Jennings, P; Testai, E; Dekant, W.

    2015-01-01

    In vitro experiments have a high potential to improve current chemical safety assessment and reduce the number of animals used. However, most studies conduct hazard assessment alone, largely ignoring exposure and kinetic parameters. Therefore, in this study the kinetics of cyclosporine A (CsA) and

  15. Preparing valuable hydrocarbons by hydrogenation

    Energy Technology Data Exchange (ETDEWEB)

    Pier, M

    1930-08-22

    A process is described for the preparation of valuable hydrocarbons by treatment of carbonaceous materials, like coal, tars, minerals oils, and their distillation and conversion products, and for refining of liquid hydrocarbon mixture obtained at raised temperature and under pressure, preferably in the presence of catalysts, by the use of hydrogen-containing gases, purified and obtained by distilling solid combustibles, characterized by the purification of the hydrogen-containing gases being accomplished for the purpose of practically complete removal of the oxygen by heating at ordinary or higher pressure in the presence of a catalyst containing silver and oxides of metals of group VI of the periodic system.

  16. Kinetics of carbonate dissolution in CO2-saturated aqueous system at reservoir conditions

    Science.gov (United States)

    Peng, Cheng; Crawshaw, John P.; Maitland, Geoffrey; Trusler, J. P. Martin

    2014-05-01

    results of the study indicate that the rotating disc technique can allow accurate measurement of the carbonate dissolution rate under surface-reaction-controlled conditions, and that the carbonate dissolution rate typically increases with the increase of temperature, CO2 partial pressure and solution acidity. The study shows that the dissolution of carbonate in CO2-free acidic solutions can be described as a first order heterogeneous reaction; however, this model is not sufficient to describe the reaction kinetics of carbonate minerals in the (CO2 + H2O) system, particularly for high reactivity carbonates, such as calcite, at reservoir conditions. For these systems, both pH and the activity of CO2(aq) influence the dissolution rate. Based on the experimental results, kinetic models have been developed and parameterised to describe the dissolution of different carbonate minerals. The results of this study should facilitate more rigorous modelling of mineral dissolution in deep saline aquifers used for CO2 storage. We gratefully acknowledge the funding of QCCSRC provided jointly by Qatar Petroleum, Shell, and the Qatar Science & Technology Park. Keywords: Carbon Dioxide, Carbonate, High Pressure, High Temperature, Reaction Kinetics.

  17. Glass formability in medium-sized molecular systems/pharmaceuticals. I. Thermodynamics vs. kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Tu, Wenkang; Li, Xiangqian; Chen, Zeming; Liu, Ying Dan; Wang, Li-Min, E-mail: simone.capaccioli@unipi.it, E-mail: Limin-Wang@ysu.edu.cn [State Key Lab of Metastable Materials Science and Technology, and College of Materials Science and Engineering, Yanshan University, Qinhuangdao, Hebei 066004 (China); Labardi, Massimiliano [CNR-IPCF, Sede Secondaria Pisa, Largo Pontecorvo 3, I-56127 Pisa (Italy); Capaccioli, Simone, E-mail: simone.capaccioli@unipi.it, E-mail: Limin-Wang@ysu.edu.cn [CNR-IPCF, Sede Secondaria Pisa, Largo Pontecorvo 3, I-56127 Pisa (Italy); Department of Physics, Pisa University, Largo Bruno Pontecorvo 3, I-56127 Pisa (Italy); Paluch, M. [Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice (Poland)

    2016-05-07

    Scrutinizing critical thermodynamic and kinetic factors for glass formation and the glass stability of materials would benefit the screening of the glass formers for the industry of glassy materials. The present work aims at elucidating the factors that contribute to the glass formation by investigating medium-sized molecules of pharmaceuticals. Glass transition related thermodynamics and kinetics are performed on the pharmaceuticals using calorimetric, dielectric, and viscosity measurements. The characteristic thermodynamic and kinetic parameters of glass transition are found to reproduce the relations established for small-molecule glass formers. The systematic comparison of the thermodynamic and kinetic contributions to glass formation reveals that the melting-point viscosity is the crucial quantity for the glass formation. Of more interest is the finding of a rough correlation between the melting-point viscosity and the entropy of fusion normalized by the number of beads of the pharmaceuticals, suggesting the thermodynamics can partly manifest its contribution to glass formation via kinetics.

  18. Glass formability in medium-sized molecular systems/pharmaceuticals. I. Thermodynamics vs. kinetics.

    Science.gov (United States)

    Tu, Wenkang; Li, Xiangqian; Chen, Zeming; Liu, Ying Dan; Labardi, Massimiliano; Capaccioli, Simone; Paluch, M; Wang, Li-Min

    2016-05-07

    Scrutinizing critical thermodynamic and kinetic factors for glass formation and the glass stability of materials would benefit the screening of the glass formers for the industry of glassy materials. The present work aims at elucidating the factors that contribute to the glass formation by investigating medium-sized molecules of pharmaceuticals. Glass transition related thermodynamics and kinetics are performed on the pharmaceuticals using calorimetric, dielectric, and viscosity measurements. The characteristic thermodynamic and kinetic parameters of glass transition are found to reproduce the relations established for small-molecule glass formers. The systematic comparison of the thermodynamic and kinetic contributions to glass formation reveals that the melting-point viscosity is the crucial quantity for the glass formation. Of more interest is the finding of a rough correlation between the melting-point viscosity and the entropy of fusion normalized by the number of beads of the pharmaceuticals, suggesting the thermodynamics can partly manifest its contribution to glass formation via kinetics.

  19. Precise control of the drug kinetics by means of non-invasive magnetic drug delivery system

    International Nuclear Information System (INIS)

    Chuzawa, M.; Mishima, F.; Akiyama, Y.; Nishijima, S.

    2013-01-01

    Highlights: ► We examined the kinetics of ferromagnetic drugs by simulation. ► We tried to accumulate the magnetic drug in the target part by rotating a magnet. ► Ferromagnetic drugs were accumulated in the target part along the rotating axis. ► Ferromagnetic drugs could be swept downstream in the off-axis part. -- Abstract: In order to solve the problems of the side effects and medical lowering, has been advanced a study on the drug delivery system (DDS) to accumulate the drugs locally in the body with minimum dosage. The DDS is a system that controls the drug kinetics in the body precisely and accumulates the drug locally at the target part, keeping the drugs at high density. Among the DDS, the magnetic drug delivery system (MDDS) is the one that we studied. This is a technique to accumulate drugs by using the magnetic force as the physical driving force. Our previous researches showed the possibility of the technique of MDDS to accumulate the drugs with higher accumulation rate and locality than the traditional methods. It is necessary to apply a strong external magnetic field and a high magnetic gradient to accumulate the ferromagnetic drugs at a deep diseased part non-invasively. However, by applying a static magnetic field from one direction, the drug accumulates only at the surface of the body locates near the magnet. In this study, we tried to change the magnetic field applied by a superconducting bulk magnet with time, in order to make a constant and strong magnetic field applied in the center of the body and to accumulate the ferromagnetic drugs at the deep target part in the body. First of all, the effect of the surface treatment of the ferromagnetic drugs to prevent its absorption in the normal tissue was examined. Then, to increase the accumulation rate of the ferromagnetic drugs at the target part, the distribution of magnetic field was changed, and the optimum spatial and temporal conditions of magnetic field were examined

  20. On the mean kinetic energy of the proton in strong hydrogen bonded systems

    Energy Technology Data Exchange (ETDEWEB)

    Finkelstein, Y. [Nuclear Research Center–Negev, Beer-Sheva 84190 (Israel); Moreh, R. [Physics Department, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel); Shang, S. L.; Wang, Y.; Liu, Z. K. [Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Shchur, Ya. [Institute for Condensed Matter Physics, 1 Svientsitskii str., L’viv 79011 (Ukraine)

    2016-02-07

    The mean atomic kinetic energies of the proton, Ke(H), and of the deuteron, Ke(D), were calculated in moderate and strongly hydrogen bonded (HB) systems, such as the ferro-electric crystals of the KDP type (XH{sub 2}PO{sub 4}, X = K, Cs, Rb, Tl), the DKDP (XD{sub 2}PO{sub 4}, X = K, Cs, Rb) type, and the X{sub 3}H(SO{sub 4}){sub 2} superprotonic conductors (X = K, Rb). All calculations utilized the simulated partial phonon density of states, deduced from density functional theory based first-principle calculations and from empirical lattice dynamics simulations in which the Coulomb, short range, covalent, and van der Waals interactions were accounted for. The presently calculated Ke(H) values for the two systems were found to be in excellent agreement with published values obtained by deep inelastic neutron scattering measurements carried out using the VESUVIO instrument of the Rutherford Laboratory, UK. The Ke(H) values of the M{sub 3}H(SO{sub 4}){sub 2} compounds, in which the hydrogen bonds are centro-symmetric, are much lower than those of the KDP type crystals, in direct consistency with the oxygen-oxygen distance R{sub OO}, being a measure of the HB strength.

  1. Kinetics of color development in glucose/Amino Acid model systems at different temperatures

    Directory of Open Access Journals (Sweden)

    Ana Paola Echavarría

    2016-01-01

    Full Text Available This study investigated the influence of temperature on the color development of melanoidins formed from a single combination of glucose with amino acid. The selected amino acid, commonly found in apple juice and highly reactive in the Maillard reaction, were asparagine (Asn, aspartic acid (Asp and glutamic acid (Glu. For this, the color development was evaluated by measuring browning at 420 nm and color measurements by spectrophotometry and colorimetry methods. The effect of temperature on the color intensity, the absorption of melanoidins were also measured at different wavelengths (280, 325, 405. The value of melanoidins formed from all model systems was located on a dominant wavelength of 325 nm, the ultra violet zone of the diagram. A first-order kinetic model was applied to L* and the evolution of color difference ΔE*. In addition, a*, b* values, significantly differences were found in the glucose/aspartic acid model system in the brown-red zone. Therefore, the color development of the melanoidins was influenced by the type of amino acid and temperature, and it is thought that the a* and b* values can be used to explain the differences among the amino acid in the color development of melanoidins.

  2. DISPL-1, 2. Order Nonlinear Partial Differential Equation System Solution for Kinetics Diffusion Problems

    International Nuclear Information System (INIS)

    Leaf, G.K.; Minkoff, M.

    1982-01-01

    1 - Description of problem or function: DISPL1 is a software package for solving second-order nonlinear systems of partial differential equations including parabolic, elliptic, hyperbolic, and some mixed types. The package is designed primarily for chemical kinetics- diffusion problems, although not limited to these problems. Fairly general nonlinear boundary conditions are allowed as well as inter- face conditions for problems in an inhomogeneous medium. The spatial domain is one- or two-dimensional with rectangular Cartesian, cylindrical, or spherical (in one dimension only) geometry. 2 - Method of solution: The numerical method is based on the use of Galerkin's procedure combined with the use of B-Splines (C.W.R. de-Boor's B-spline package) to generate a system of ordinary differential equations. These equations are solved by a sophisticated ODE software package which is a modified version of Hindmarsh's GEAR package, NESC Abstract 592. 3 - Restrictions on the complexity of the problem: The spatial domain must be rectangular with sides parallel to the coordinate geometry. Cross derivative terms are not permitted in the PDE. The order of the B-Splines is at most 12. Other parameters such as the number of mesh points in each coordinate direction, the number of PDE's etc. are set in a macro table used by the MORTRAn2 preprocessor in generating the object code

  3. On the mean kinetic energy of the proton in strong hydrogen bonded systems

    International Nuclear Information System (INIS)

    Finkelstein, Y.; Moreh, R.; Shang, S. L.; Wang, Y.; Liu, Z. K.; Shchur, Ya.

    2016-01-01

    The mean atomic kinetic energies of the proton, Ke(H), and of the deuteron, Ke(D), were calculated in moderate and strongly hydrogen bonded (HB) systems, such as the ferro-electric crystals of the KDP type (XH 2 PO 4 , X = K, Cs, Rb, Tl), the DKDP (XD 2 PO 4 , X = K, Cs, Rb) type, and the X 3 H(SO 4 ) 2 superprotonic conductors (X = K, Rb). All calculations utilized the simulated partial phonon density of states, deduced from density functional theory based first-principle calculations and from empirical lattice dynamics simulations in which the Coulomb, short range, covalent, and van der Waals interactions were accounted for. The presently calculated Ke(H) values for the two systems were found to be in excellent agreement with published values obtained by deep inelastic neutron scattering measurements carried out using the VESUVIO instrument of the Rutherford Laboratory, UK. The Ke(H) values of the M 3 H(SO 4 ) 2 compounds, in which the hydrogen bonds are centro-symmetric, are much lower than those of the KDP type crystals, in direct consistency with the oxygen-oxygen distance R OO , being a measure of the HB strength

  4. Thermodynamics and kinetics of interstitial diffusion in a two-component system

    International Nuclear Information System (INIS)

    McKee, R.A.

    1980-01-01

    Diffusion theory is developed for a two-component system in which only the interstitial element is mobile. A thermodynamic formalism is used in direct parallel with a kinetic theory to construct a mechanism-independent relationship between tracer- and chemical-diffusion coefficients. It is found that D/sup I/=(D-italic*/f)(1+partiallnγ/partiallnC). D/sup I/ is the intrinsic- or chemical-diffusion coefficient for the interstitial, D* is the tracer-diffusion coefficient, f is the correlation factor, and γ is the activity coefficient. This expression accounts for site exclusion, correlation, and drift effects that occur as the interstitial content changes. Generalized phenomenological coefficients that are determined in this analysis can be used for standard representations of diffusion in electric fields and temperature gradients. Moreover, the forms that the phenomenological coefficients take for the interstitial system are the same as those previously derived for vacancy diffusion. A test of this predicted relationship between tracer- and chemical-diffusion coefficients is developed using a comparison between theory and experiment for carbon diffusion in fcc iron

  5. Kinetic turbulence simulations at extreme scale on leadership-class systems

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Bei [Princeton Univ., Princeton, NJ (United States); Ethier, Stephane [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Tang, William [Princeton Univ., Princeton, NJ (United States); Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Williams, Timothy [Argonne National Lab. (ANL), Argonne, IL (United States); Ibrahim, Khaled Z. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Madduri, Kamesh [The Pennsylvania State Univ., University Park, PA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Williams, Samuel [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Oliker, Leonid [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2013-01-01

    Reliable predictive simulation capability addressing confinement properties in magnetically confined fusion plasmas is critically-important for ITER, a 20 billion dollar international burning plasma device under construction in France. The complex study of kinetic turbulence, which can severely limit the energy confinement and impact the economic viability of fusion systems, requires simulations at extreme scale for such an unprecedented device size. Our newly optimized, global, ab initio particle-in-cell code solving the nonlinear equations underlying gyrokinetic theory achieves excellent performance with respect to "time to solution" at the full capacity of the IBM Blue Gene/Q on 786,432 cores of Mira at ALCF and recently of the 1,572,864 cores of Sequoia at LLNL. Recent multithreading and domain decomposition optimizations in the new GTC-P code represent critically important software advances for modern, low memory per core systems by enabling routine simulations at unprecedented size (130 million grid points ITER-scale) and resolution (65 billion particles).

  6. Characterization of hydrocarbon utilizing fungi from hydrocarbon ...

    African Journals Online (AJOL)

    Prof. Ogunji

    isolated fungi could be useful in the bioremediation of hydrocarbon polluted sites. Keywords: ... Technologies such as mechanical force, burying, evaporation, dispersant application, and ..... The effects of drilling fluids on marine bacteria from a.

  7. Microbial ureolysis in the seawater-catalysed urine phosphorus recovery system: Kinetic study and reactor verification.

    Science.gov (United States)

    Tang, Wen-Tao; Dai, Ji; Liu, Rulong; Chen, Guang-Hao

    2015-12-15

    Our previous study has confirmed the feasibility of using seawater as an economical precipitant for urine phosphorus (P) precipitation. However, we still understand very little about the ureolysis in the Seawater-based Urine Phosphorus Recovery (SUPR) system despite its being a crucial step for urine P recovery. In this study, batch experiments were conducted to investigate the kinetics of microbial ureolysis in the seawater-urine system. Indigenous bacteria from urine and seawater exhibited relatively low ureolytic activity, but they adapted quickly to the urine-seawater mixture during batch cultivation. During cultivation, both the abundance and specific ureolysis rate of the indigenous bacteria were greatly enhanced as confirmed by a biomass-dependent Michaelis-Menten model. The period for fully ureolysis was decreased from 180 h to 2.5 h after four cycles of cultivation. Based on the successful cultivation, a lab-scale SUPR reactor was set up to verify the fast ureolysis and efficient P recovery in the SUPR system. Nearly complete urine P removal was achieved in the reactor in 6 h without adding any chemicals. Terminal Restriction Fragment Length Polymorphism (TRFLP) analysis revealed that the predominant groups of bacteria in the SUPR reactor likely originated from seawater rather than urine. Moreover, batch tests confirmed the high ureolysis rates and high phosphorus removal efficiency induced by cultivated bacteria in the SUPR reactor under seawater-to-urine mixing ratios ranging from 1:1 to 9:1. This study has proved that the enrichment of indigenous bacteria in the SUPR system can lead to sufficient ureolytic activity for phosphate precipitation, thus providing an efficient and economical method for urine P recovery. Copyright © 2015 Elsevier Ltd. All rights reserved.

  8. Functional Analysis in Long-Term Operation of High Power UV-LEDs in Continuous Fluoro-Sensing Systems for Hydrocarbon Pollution

    Science.gov (United States)

    Arques-Orobon, Francisco Jose; Nuñez, Neftali; Vazquez, Manuel; Gonzalez-Posadas, Vicente

    2016-01-01

    This work analyzes the long-term functionality of HP (High-power) UV-LEDs (Ultraviolet Light Emitting Diodes) as the exciting light source in non-contact, continuous 24/7 real-time fluoro-sensing pollutant identification in inland water. Fluorescence is an effective alternative in the detection and identification of hydrocarbons. The HP UV-LEDs are more advantageous than classical light sources (xenon and mercury lamps) and helps in the development of a low cost, non-contact, and compact system for continuous real-time fieldwork. This work analyzes the wavelength, output optical power, and the effects of viscosity, temperature of the water pollutants, and the functional consistency for long-term HP UV-LED working operation. To accomplish the latter, an analysis of the influence of two types 365 nm HP UV-LEDs degradation under two continuous real-system working mode conditions was done, by temperature Accelerated Life Tests (ALTs). These tests estimate the mean life under continuous working conditions of 6200 h and for cycled working conditions (30 s ON & 30 s OFF) of 66,000 h, over 7 years of 24/7 operating life of hydrocarbon pollution monitoring. In addition, the durability in the face of the internal and external parameter system variations is evaluated. PMID:26927113

  9. Kinetic simulations of neoclassical and anomalous transport processes in helical systems

    International Nuclear Information System (INIS)

    Sugama, Hideo; Watanabe, Tomohiko; Nunami, Masanori; Satake, Shinsuke; Matsuoka, Seikichi; Tanaka, Kenji

    2012-01-01

    Drift kinetic and gyrokinetic theories and simulations are powerful means for quantitative predictions of neoclassical and anomalous transport fluxes in helical systems such as the Large Helical Device (LHD). The δf Monte Carlo particle simulation code, FORTEC-3D, is used to predict radial profiles of the neoclassical particle and heat transport fluxes and the radial electric field in helical systems. The radial electric field profiles in the LHD plasmas are calculated from the ambipolarity condition for the neoclassical particle fluxes obtained by the global simulations using the FORTEC-3D code, in which effects of ion or electron finite orbit widths are included. Gyrokinetic Vlasov simulations using the GKV code verify the theoretical prediction that the neoclassical optimization of helical magnetic configuration enhances the zonal flow generation which leads to the reduction of the turbulent heat diffusivity χ i due to the ion temperature gradient (ITG) turbulence. Comparisons between results for the high ion temperature LHD experiment and the gyrokinetic simulations using the GKV-X code show that the χ i profile and the poloidal wave number spectrum of the density fluctuation obtained from the simulations are in reasonable agreements with the experimental results. It is predicted theoretically and confirmed by the linear GKV simulations that the E × B rotation due to the background radial electric field E r can enhance the zonal-flow response to a given source. Thus, in helical systems, the turbulent transport is linked to the neoclassical transport through E r which is determined from the ambipolar condition for neoclassical particle fluxes and influences the zonal flow generation leading to reduction of the turbulent transport. In order to investigate the E r effect on the regulation of the turbulent transport by the zonal flow generation, the flux-tube bundle model is proposed as a new method for multiscale gyrokinetic simulations. (author)

  10. Kinetics experiments and bench-scale system: Background, design, and preliminary experiments

    International Nuclear Information System (INIS)

    Rofer, C.K.

    1987-10-01

    The project, Supercritical Water Oxidation of Hazardous Chemical Waste, is a Hazardous Waste Remedial Actions Program (HAZWRAP) Research and Development task being carried out by the Los Alamos National Laboratory. Its objective is to obtain information for use in understanding the basic technology and for scaling up and applying oxidation in supercritical water as a viable process for treating a variety of DOE-DP waste streams. This report gives the background and rationale for kinetics experiments on oxidation in supercritical water being carried out as a part of this HAZWRAP Research and Development task. It discusses supercritical fluid properties and their relevance to applying this process to the destruction of hazardous wastes. An overview is given of the small emerging industry based on applications of supercritical water oxidation. Factors that could lead to additional applications are listed. Modeling studies are described as a basis for the experimental design. The report describes plug flow reactor and batch reactor systems, and presents preliminary results. 28 refs., 4 figs., 5 tabs

  11. Modeling of convective drying kinetics of Pistachio kernels in a fixed bed drying system

    Directory of Open Access Journals (Sweden)

    Balbay Asım

    2013-01-01

    Full Text Available Drying kinetics of Pistachio kernels (PKs with initial moisture content of 32.4% (w.b was investigated as a function of drying conditions in a fixed bed drying system. The drying experiments were carried out at different temperatures of drying air (40, 60 and 80°C and air velocities (0.05, 0.075 and 0.1 m/s. Several experiments were performed in terms of mass of PKs (15g and 30g using a constant air velocity of 0.075 m/s. The fit quality of models was evaluated using the determination coefficient (R2, sum square error (SSE and root mean square error (RMSE. Among the selected models, the Midilli et al model was found to be the best models for describing the drying behavior of PKs. The activation energies were calculated as 29.2 kJ/mol and effective diffusivity values were calculated between 1.38 and 4.94x10-10 m2/s depending on air temperatures.

  12. A unified approach to model uptake kinetics of trace elements in complex aqueous – solid solution systems

    International Nuclear Information System (INIS)

    Thien, Bruno M.J.; Kulik, Dmitrii A.; Curti, Enzo

    2014-01-01

    Highlights: • There are several models able to describe trace element partitioning in growing minerals. • To describe complex systems, those models must be embedded in a geochemical code. • We merged two models into a unified one suitable for implementation in a geochemical code. • This unified model was tested against coprecipitation experimental data. • We explored how our model reacts to solution depletion effects. - Abstract: Thermodynamics alone is usually not sufficient to predict growth-rate dependencies of trace element partitioning into host mineral solid solutions. In this contribution, two uptake kinetic models were analyzed that are promising in terms of mechanistic understanding and potential for implementation in geochemical modelling codes. The growth Surface Entrapment Model (Watson, 2004) and the Surface Reaction Kinetic Model (DePaolo, 2011) were shown to be complementary, and under certain assumptions merged into a single analytical expression. This Unified Uptake Kinetics Model was implemented in GEMS3K and GEM-Selektor codes ( (http://gems.web.psi.ch)), a Gibbs energy minimization package for geochemical modelling. This implementation extends the applicability of the unified uptake kinetics model to accounting for non-trivial factors influencing the trace element partitioning into solid solutions, such as the changes in aqueous solution composition and speciation, or the depletion effects in closed geochemical systems

  13. From axiomatics of quantum probability to modelling geological uncertainty and management of intelligent hydrocarbon reservoirs with the theory of open quantum systems

    Science.gov (United States)

    Lozada Aguilar, Miguel Ángel; Khrennikov, Andrei; Oleschko, Klaudia

    2018-04-01

    As was recently shown by the authors, quantum probability theory can be used for the modelling of the process of decision-making (e.g. probabilistic risk analysis) for macroscopic geophysical structures such as hydrocarbon reservoirs. This approach can be considered as a geophysical realization of Hilbert's programme on axiomatization of statistical models in physics (the famous sixth Hilbert problem). In this conceptual paper, we continue development of this approach to decision-making under uncertainty which is generated by complexity, variability, heterogeneity, anisotropy, as well as the restrictions to accessibility of subsurface structures. The belief state of a geological expert about the potential of exploring a hydrocarbon reservoir is continuously updated by outputs of measurements, and selection of mathematical models and scales of numerical simulation. These outputs can be treated as signals from the information environment E. The dynamics of the belief state can be modelled with the aid of the theory of open quantum systems: a quantum state (representing uncertainty in beliefs) is dynamically modified through coupling with E; stabilization to a steady state determines a decision strategy. In this paper, the process of decision-making about hydrocarbon reservoirs (e.g. `explore or not?'; `open new well or not?'; `contaminated by water or not?'; `double or triple porosity medium?') is modelled by using the Gorini-Kossakowski-Sudarshan-Lindblad equation. In our model, this equation describes the evolution of experts' predictions about a geophysical structure. We proceed with the information approach to quantum theory and the subjective interpretation of quantum probabilities (due to quantum Bayesianism). This article is part of the theme issue `Hilbert's sixth problem'.

  14. From axiomatics of quantum probability to modelling geological uncertainty and management of intelligent hydrocarbon reservoirs with the theory of open quantum systems.

    Science.gov (United States)

    Lozada Aguilar, Miguel Ángel; Khrennikov, Andrei; Oleschko, Klaudia

    2018-04-28

    As was recently shown by the authors, quantum probability theory can be used for the modelling of the process of decision-making (e.g. probabilistic risk analysis) for macroscopic geophysical structures such as hydrocarbon reservoirs. This approach can be considered as a geophysical realization of Hilbert's programme on axiomatization of statistical models in physics (the famous sixth Hilbert problem). In this conceptual paper , we continue development of this approach to decision-making under uncertainty which is generated by complexity, variability, heterogeneity, anisotropy, as well as the restrictions to accessibility of subsurface structures. The belief state of a geological expert about the potential of exploring a hydrocarbon reservoir is continuously updated by outputs of measurements, and selection of mathematical models and scales of numerical simulation. These outputs can be treated as signals from the information environment E The dynamics of the belief state can be modelled with the aid of the theory of open quantum systems: a quantum state (representing uncertainty in beliefs) is dynamically modified through coupling with E ; stabilization to a steady state determines a decision strategy. In this paper, the process of decision-making about hydrocarbon reservoirs (e.g. 'explore or not?'; 'open new well or not?'; 'contaminated by water or not?'; 'double or triple porosity medium?') is modelled by using the Gorini-Kossakowski-Sudarshan-Lindblad equation. In our model, this equation describes the evolution of experts' predictions about a geophysical structure. We proceed with the information approach to quantum theory and the subjective interpretation of quantum probabilities (due to quantum Bayesianism).This article is part of the theme issue 'Hilbert's sixth problem'. © 2018 The Author(s).

  15. Hydrocarbons and air pollution

    International Nuclear Information System (INIS)

    Herz, O.

    1992-01-01

    This paper shows the influence of hydrocarbons vapors, emitted by transports or by volatile solvents using, on air pollution. Hydrocarbons are the principal precursors of photochemical pollution. After a brief introduction on atmospheric chemistry and photochemical reactions, the author describes the french prevention program against hydrocarbons emissions. In the last chapter, informations on international or european community programs for photochemical pollution study are given. 5 figs., 10 tabs

  16. Production of hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Day, D T; Day, R E

    1920-04-27

    A process is disclosed of converting hydro-carbon oils having high boiling points to hydro-carbon oils having low boiling points, which process comprises adding the oil to be treated to a mass of hydro-carbon oil bearing shale, passing the shale with the oil through a conveyor retort and subjecting the material while in the retort to a heat treatment involving a temperature of at least 500/sup 0/F.

  17. Does the concept of Clar's aromatic sextet work for dicationic forms of polycyclic aromatic hydrocarbons?--testing the model against charged systems in singlet and triplet states.

    Science.gov (United States)

    Dominikowska, Justyna; Palusiak, Marcin

    2011-07-07

    The concept of Clar's π-electron aromatic sextet was tested against a set of polycyclic aromatic hydrocarbons in neutral and doubly charged forms. Systems containing different types of rings (in the context of Clar's concept) were chosen, including benzene, naphthalene, anthracene, phenanthrene and triphenylene. In the case of dicationic structures both singlet and triplet states were considered. It was found that for singlet state dicationic structures the concept of aromatic sextet could be applied and the local aromaticity could be discussed in the context of that model, whereas in the case of triplet state dicationic structures Clar's model rather failed. Different aromaticity indices based on various properties of molecular systems were applied for the purpose of the studies. The discussion about the interdependence between the values of different aromaticity indices applied to neutral and charged systems in singlet and triplet states is also included. This journal is © the Owner Societies 2011

  18. Thermal degradation kinetics of all-trans and cis-carotenoids in a light-induced model system.

    Science.gov (United States)

    Xiao, Ya-Dong; Huang, Wu-Yang; Li, Da-Jing; Song, Jiang-Feng; Liu, Chun-Quan; Wei, Qiu-Yu; Zhang, Min; Yang, Qiu-Ming

    2018-01-15

    Thermal degradation kinetics of lutein, zeaxanthin, β-cryptoxanthin, β-carotene was studied at 25, 35, and 45°C in a model system. Qualitative and quantitative analyses of all-trans- and cis-carotenoids were conducted using HPLC-DAD-MS technologies. Kinetic and thermodynamic parameters were calculated by non-linear regression. A total of 29 geometrical isomers and four oxidation products were detected, including all-trans-, keto compounds, mono-cis- and di-cis-isomers. Degradations of all-trans-lutein, zeaxanthin, β-cryptoxanthin, and β-carotene were described by a first-order kinetic model, with the order of rate constants as k β -carotene >k β -cryptoxanthin >k lutein >k zeaxanthin . Activation energies of zeaxanthin, lutein, β-cryptoxanthin, and β-carotene were 65.6, 38.9, 33.9, and 8.6kJ/moL, respectively. cis-carotenoids also followed with the first-order kinetic model, but they did not show a defined sequence of degradation rate constants and activation energies at different temperatures. A possible degradation pathway of four carotenoids was identified to better understand the mechanism of carotenoid degradation. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. Thermodynamics and kinetics of thermal decomposition of dibutylalkyl and dipentylalkyl phosphonate-nitric acid systems

    International Nuclear Information System (INIS)

    Chandran, K.; Brahmananda, C.V.S.; Anthonysamy, S.; Srinivasan, T.G.; Ganesan, V.

    2013-01-01

    Tributyl phosphate (TBP) is used in the reprocessing industry for the separation of uranium and plutonium from the spent nuclear fuels by PUREX process. A variety of dialkylalky/phosphonates were synthesised and their extraction behaviour on actinides was studied in this laboratory. The superior extraction characteristics of phosphonates make them useful for several metal recovery applications in the nuclear fuel cycle. However, higher solubility of phosphonates in aqueous phase as compared to TBP, introduces higher chances of the formation of thermally active 'red oil' like substances during the evaporation of aqueous streams. Thermal stability of neat and nitric acid solvated homologues of four dibutylalkyl phosphonates namely, dibutylpropyl phosphonate (DBPrP), dibutylbutyl phosphonate (DBBP), dibutylpentyl phosphonate (DBPP), dibutylhexyl phosphonate (DBHeP), and two dipentylalkyl phosphonates viz. dipentylbutyl phosphonate (DPBP), dipentylhexyl phosphonate (DPHeP) were studied. Experiments were conducted using an adiabatic calorimeter in heat-wait-search mode. Various stoichiometry of nitric acid-solvated DBalP and DPalP were prepared by equilibrating the respective organic with 4-15.6 M nitric acid followed by separation. Neat DBalP and DPalP are stable up to the temperature of ∼ 555 K while their acid-solvates decomposed in the temperature range 380-403 K. The results also indicated that the presence of nitric acid accelerated the decomposition of phosphonates. Decomposition of these acid solvated phosphonates is found to be exothermic and follows first order kinetics. The onset temperature, adiabatic temperature rise, pressure rise, decomposition enthalpy and activation energy were found to strongly depend on the nitric acid content of the acid-solvates. The studies also indicate that dibutylalkyl and dipentylalkyl phosphonates are also prone to form 'red oil' like substances under extreme conditions and can lead to run-away reactions

  20. Stochastic kinetics

    International Nuclear Information System (INIS)

    Colombino, A.; Mosiello, R.; Norelli, F.; Jorio, V.M.; Pacilio, N.

    1975-01-01

    A nuclear system kinetics is formulated according to a stochastic approach. The detailed probability balance equations are written for the probability of finding the mixed population of neutrons and detected neutrons, i.e. detectrons, at a given level for a given instant of time. Equations are integrated in search of a probability profile: a series of cases is analyzed through a progressive criterium. It tends to take into account an increasing number of physical processes within the chosen model. The most important contribution is that solutions interpret analytically experimental conditions of equilibrium (moise analysis) and non equilibrium (pulsed neutron measurements, source drop technique, start up procedures)

  1. Plasma devices for hydrocarbon reformation

    KAUST Repository

    Cha, Min

    2017-01-01

    Plasma devices for hydrocarbon reformation are provided. Methods of using the devices for hydrocarbon reformation are also provided. The devices can include a liquid container to receive a hydrocarbon source, and a plasma torch configured

  2. [Biodegradability of the components of natural hydrocarbon mixtures previously submitted to landfarming].

    Science.gov (United States)

    Pucci, G N; Pucci, O H

    2003-01-01

    The complex composition of the crude oil and the hydrocarbons that integrate the waste of the different stages of the oil industry turn this product a mixture that presents different difficulties for its elimination by biological methods. The objective of this paper was to study the biodegradation potential of autochthonous bacterial communities on hydrocarbons obtained from four polluted places and subjected to landfarming biorremediation system during a decade. The results showed a marked difference in biodegradability of the three main fractions of crude oil, aliphatic, aromatic, and polar fractions, obtained by column chromatography. All fractions were used as carbon source and energy. There were variations in the production of biomass among the different fractions as well as in the kinetics of biodegradation, according to the composition of each fraction.

  3. Synchronization of Well Log Data and Geophysical Data with Remote Sensing Technique to Develop the Hydrocarbon System of Bengal Basin

    Science.gov (United States)

    Kesh, S.; Samadder, P. K.

    2012-12-01

    Remote sensing along with more conventional exploration techniques such as geophysics and reconnaissance field mapping can help to establish regional geologic relationships, to extract major structural features and to pinpoint anomalous patterns. Many well have been drilled in Bengal basin still no commercially viable reserves have been discovered. Geophysical well logging is used in virtually every oil well. It is the primary means by which we characterize the subsurface in search of hydrocarbons. Oil and gas exploration activities for large areas require ground gravity surveys to facilitate detailed geological interpretations for subsurface features integrating geological cross-sections with the sub-surface structural trends leads to the identification of prospect areas. Remote sensing, geological and geophysical data integration provide accurate geometric shapes of the basins. Bengal basin has a sedimentary fill of 10-15 km, is the northernmost of the east coast basins of India In the first phase Remote sensing satellite sensors help in identifying surface anomaly which indicates the presence of hydrocarbon reservoirs providing regional geological settings of petroleferous basins. It provides accurate and visual data for directly determining geometric shapes of basin. It assists in the selection of exploration regions by defining the existence of sedimentary basin. Remote sensing methods can generate a wealth of information useful in determining the value of exploratory prospecting. In the second phase Well Log data provide relative subsurface information for oil and gas exploration. Remote sensing data are merged with other available information such as Aeromagnetic, gravity, geochemical surveys and 2D seismic surveys. The result of this phase is to estimate the outcome of oil discovery probabilities for locating oil prospects

  4. Modeling of kinetics of the inducible protein complexes of the SOS system in bacteria E. coli which realize TLS process

    International Nuclear Information System (INIS)

    Belov, O.V.

    2008-01-01

    The mathematical model describing kinetics of the inducible genes of the protein complexes, formed during SOS response in bacteria Escherichia coli is developed. Within the bounds of developed approaches the auxiliary mathematical model describing changes in concentrations of the dimers, which are the components of final protein complexes, is developed. The solutions of both models are based on the experimental data concerning expression of the basic genes of the SOS system in bacteria Escherichia coli

  5. Improved Kinetic Models for High-Speed Combustion Simulation

    National Research Council Canada - National Science Library

    Montgomery, C. J; Tang, Q; Sarofim, A. F; Bockelie, M. J; Gritton, J. K; Bozzelli, J. W; Gouldin, F. C; Fisher, E. M; Chakravarthy, S

    2008-01-01

    Report developed under an STTR contract. The overall goal of this STTR project has been to improve the realism of chemical kinetics in computational fluid dynamics modeling of hydrocarbon-fueled scramjet combustors...

  6. The kinetics of multi-compartmentalized systems, studied by radioactive tracers

    International Nuclear Information System (INIS)

    Gouveia, A.S. de.

    1978-01-01

    The use of compartmental models to investigate kinetic problems is presented. This use is restricted, however, to linear models. As an application of different methods, the kinetic behaviour of haemaccel labelled with iodine 131 is studied, the interval of the physically viable solutions being established. The existence of a class of solutions is explained as a result of lack of knowledge of a complete data set. The possibility of obtaining a single solution is also discussed. The formalism of the program SAAM (Simulation, Analysis and modelling) now judged very important for the study of multi-compartimental analysis is presented. (I.C.R) [pt

  7. Preliminary Development of the MARS/FREK Spatial Kinetics Coupled System Code for Square Fueled Fast Reactor Applications

    International Nuclear Information System (INIS)

    Bae, Moo Hoon; Joo, Han Gyu

    2009-01-01

    Incorporation of a three-dimensional (3-D) reactor kinetics model into a system thermal-hydraulic (T/H) code enhances the capability to perform realistic analyses of the core neutronic behavior and the plant system dynamics which are coupled each other. For this advantage, several coupled system T/H and spatial kinetics codes, such as RELAP/PARCS, RELAP5/ PANBOX, and MARS/MASTER have been developed. These codes, however, so far limited to LWR applications. The objective of this work is to develop such a coupled code for fast reactor applications. Particularly, applications to lead-bismuth eutectic (LBE) cooled fast reactor are of interest which employ open square lattices. A fast reactor kinetics code applicable to square fueled cores called FREK is coupled the LBE version of the MARS code. The MARS/MASTER coupled code is used as the reference for the integration. The coupled code MARS/FREK is examined for a conceptual reactor called P-DEMO which is being developed by NUTRECK. In order to check the validity of the coupled code, however, the OECD MSLB benchmark exercise III calculation is solved first

  8. Plasma devices for hydrocarbon reformation

    KAUST Repository

    Cha, Min Suk

    2017-02-16

    Plasma devices for hydrocarbon reformation are provided. Methods of using the devices for hydrocarbon reformation are also provided. The devices can include a liquid container to receive a hydrocarbon source, and a plasma torch configured to be submerged in the liquid. The plasma plume from the plasma torch can cause reformation of the hydrocarbon. The device can use a variety of plasma torches that can be arranged in a variety of positions in the liquid container. The devices can be used for the reformation of gaseous hydrocarbons and/or liquid hydrocarbons. The reformation can produce methane, lower hydrocarbons, higher hydrocarbons, hydrogen gas, water, carbon dioxide, carbon monoxide, or a combination thereof.

  9. Uptake and elimination kinetics of heavy metals by earthworm ...

    African Journals Online (AJOL)

    Earthworm inoculation of petroleum hydrocarbon contaminated soil is thought to catalyze the bioremediation. Most bioremediation studies focus on the petroleum hydrocarbon content and not on the heavy metals. Here, the uptake kinetics of heavy metals by earthworm in used engine oil contaminated soil was investigated.

  10. A simple method of evaluating non-isothermal crystallization kinetics in multicomponent polymer systems

    Czech Academy of Sciences Publication Activity Database

    Kratochvíl, Jaroslav; Kelnar, Ivan

    2015-01-01

    Roč. 47, October (2015), s. 79-86 ISSN 0142-9418 R&D Projects: GA ČR(CZ) GA13-15255S Institutional support: RVO:61389013 Keywords : non-isothermal crystallization kinetics * cumulative curves * inflection point Subject RIV: JI - Composite Materials Impact factor: 2.350, year: 2015

  11. Study of strength kinetics of sand concrete system of accelerated hardening

    Science.gov (United States)

    Sharanova, A. V.; Lenkova, D. A.; Panfilova, A. D.

    2018-04-01

    Methods of calorimetric analysis are used to study the dynamics of the hydration processes of concretes with different accelerator contents. The efficiency of the isothermal calorimetry method is shown for study of strength kinetics of concrete mixtures of accelerated hardening, promising for additive technologies in civil engineering.

  12. Chemical kinetics and modeling of planetary atmospheres

    Science.gov (United States)

    Yung, Yuk L.

    1990-01-01

    A unified overview is presented for chemical kinetics and chemical modeling in planetary atmospheres. The recent major advances in the understanding of the chemistry of the terrestrial atmosphere make the study of planets more interesting and relevant. A deeper understanding suggests that the important chemical cycles have a universal character that connects the different planets and ultimately link together the origin and evolution of the solar system. The completeness (or incompleteness) of the data base for chemical kinetics in planetary atmospheres will always be judged by comparison with that for the terrestrial atmosphere. In the latter case, the chemistry of H, O, N, and Cl species is well understood. S chemistry is poorly understood. In the atmospheres of Jovian planets and Titan, the C-H chemistry of simple species (containing 2 or less C atoms) is fairly well understood. The chemistry of higher hydrocarbons and the C-N, P-N chemistry is much less understood. In the atmosphere of Venus, the dominant chemistry is that of chlorine and sulfur, and very little is known about C1-S coupled chemistry. A new frontier for chemical kinetics both in the Earth and planetary atmospheres is the study of heterogeneous reactions. The formation of the ozone hole on Earth, the ubiquitous photochemical haze on Venus and in the Jovian planets and Titan all testify to the importance of heterogeneous reactions. It remains a challenge to connect the gas phase chemistry to the production of aerosols.

  13. Field-controlled electron transfer and reaction kinetics of the biological catalytic system of microperoxidase-11 and hydrogen peroxide

    Directory of Open Access Journals (Sweden)

    Yongki Choi

    2011-12-01

    Full Text Available Controlled reaction kinetics of the bio-catalytic system of microperoxidase-11 and hydrogen peroxide has been achieved using an electrostatic technique. The technique allowed independent control of 1 the thermodynamics of the system using electrochemical setup and 2 the quantum mechanical tunneling at the interface between microperoxidase-11 and the working electrode by applying a gating voltage to the electrode. The cathodic currents of electrodes immobilized with microperoxidase-11 showed a dependence on the gating voltage in the presence of hydrogen peroxide, indicating a controllable reduction reaction. The measured kinetic parameters of the bio-catalytic reduction showed nonlinear dependences on the gating voltage as the result of modified interfacial electron tunnel due to the field induced at the microperoxidase-11-electrode interface. Our results indicate that the kinetics of the reduction of hydrogen peroxide can be controlled by a gating voltage and illustrate the operation of a field-effect bio-catalytic transistor, whose current-generating mechanism is the conversion of hydrogen peroxide to water with the current being controlled by the gating voltage.

  14. Reaction of plutonium with water kinetic and equilibrium behavior of binary and ternary phases in the Pu + O + H system

    International Nuclear Information System (INIS)

    Haschke, J.M.; Hodges, A.E. III; Bixby, G.E.; Lucas, R.L.

    1983-01-01

    The kinetic and equilibrium behavior of the Pu + O + H system has been studied by measuring the production of hydrogen gas formed by a sequence of hydrolysis reactions. The kinetic dependence of the Pu + H 2 O reaction on salt concentration and temperature has been defined. The metal is quantitatively converted to a fine black powder which has been identified as plutonium monoxide monohydride, PuOH. Other hydrolysis products formed in aqueous media include a second oxide hydride, Pu 7 O 9 H 3 , and the oxides Pu 2 O 3 , Pu 7 O 12 , Pu 9 O 16 , Pu 10 O 18 , Pu 12 O 22 , and PuO 2 . Thermal decomposition products of PuOH include Pu 2 O 2 H and PuO. A tentative phase diagram for Pu + O + H is presented and structural relationships of the oxide hydrides and oxides are discussed. 10 figures, 5 tables

  15. Analysis of atmospheric flow over a surface protrusion using the turbulence kinetic energy equation with reference to aeronautical operating systems

    Science.gov (United States)

    Frost, W.; Harper, W. L.

    1975-01-01

    Flow over surface obstructions can produce significantly large wind shears such that adverse flying conditions can occur for aeronautical systems (helicopters, STOL vehicles, etc.). Atmospheric flow fields resulting from a semi-elliptical surface obstruction in an otherwise horizontally homogeneous statistically stationary flow are modelled with the boundary-layer/Boussinesq-approximation of the governing equation of fluid mechanics. The turbulence kinetic energy equation is used to determine the dissipative effects of turbulent shear on the mean flow. Iso-lines of turbulence kinetic energy and turbulence intensity are plotted in the plane of the flow and highlight regions of high turbulence intensity in the stagnation zone and sharp gradients in intensity along the transition from adverse to favourable pressure gradient. Discussion of the effects of the disturbed wind field in CTOL and STOL aircraft flight path and obstruction clearance standards is given. The results indicate that closer inspection of these presently recommended standards as influenced by wind over irregular terrains is required.

  16. Kinetic analysis of batch ethanol acetylation in isothermal non-stationary multiphase systems by lyophilized mycelium of Aspergillus oryzae

    Directory of Open Access Journals (Sweden)

    Emilio Palazzi

    2011-03-01

    Full Text Available A relatively complex network of reactions has been investigated, using as a network model the isothermal batch esterification of acetic acid with ethanol in n-heptane catalyzed by lyophilized mycelium of Aspergillus oryzae. The kinetic analysis was firstly carried out on the whole system, without any simplification, by means of the well-known integral method. Owing to the poor results obtained by this way, we developed an alternative approach, combining initial rates and integral analysis and reducing the number of empirical parameters to be determined by the use of equilibrium data. All the values of the parameters calculated according to this "composite" approach to kinetic analysis well correlate with experimental data.

  17. Kinetic Typography

    DEFF Research Database (Denmark)

    van Leeuwen, Theo; Djonov, Emilia

    2014-01-01

    After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images.......After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images....

  18. Oxygen discharge and post-discharge kinetics experiments and modeling for the electric oxygen-iodine laser system.

    Science.gov (United States)

    Palla, A D; Zimmerman, J W; Woodard, B S; Carroll, D L; Verdeyen, J T; Lim, T C; Solomon, W C

    2007-07-26

    Laser oscillation at 1315 nm on the I(2P1/2)-->I(2P3/2) transition of atomic iodine has been obtained by a near resonant energy transfer from O2(a1Delta) produced using a low-pressure oxygen/helium/nitric oxide discharge. In the electric discharge oxygen-iodine laser (ElectricOIL) the discharge production of atomic oxygen, ozone, and other excited species adds levels of complexity to the singlet oxygen generator (SOG) kinetics which are not encountered in a classic purely chemical O2(a1Delta) generation system. The advanced model BLAZE-IV has been introduced to study the energy-transfer laser system dynamics and kinetics. Levels of singlet oxygen, oxygen atoms, and ozone are measured experimentally and compared with calculations. The new BLAZE-IV model is in reasonable agreement with O3, O atom, and gas temperature measurements but is under-predicting the increase in O2(a1Delta) concentration resulting from the presence of NO in the discharge and under-predicting the O2(b1Sigma) concentrations. A key conclusion is that the removal of oxygen atoms by NOX species leads to a significant increase in O2(a1Delta) concentrations downstream of the discharge in part via a recycling process; however, there are still some important processes related to the NOX discharge kinetics that are missing from the present modeling. Further, the removal of oxygen atoms dramatically inhibits the production of ozone in the downstream kinetics.

  19. Performance of the coupled thermalhydraulics/neutron kinetics code R/P/C on workstation clusters and multiprocessor systems

    International Nuclear Information System (INIS)

    Hammer, C.; Paffrath, M.; Boeer, R.; Finnemann, H.; Jackson, C.J.

    1996-01-01

    The light water reactor core simulation code PANBOX has been coupled with the transient analysis code RELAP5 for the purpose of performing plant safety analyses with a three-dimensional (3-D) neutron kinetics model. The system has been parallelized to improve the computational efficiency. The paper describes the features of this system with emphasis on performance aspects. Performance results are given for different types of parallelization, i. e. for using an automatic parallelizing compiler, using the portable PVM platform on a workstation cluster, using PVM on a shared memory multiprocessor, and for using machine dependent interfaces. (author)

  20. Removal of polycyclic aromatic hydrocarbons (PAHs) from textile dyeing sludge by ultrasound combined zero-valent iron/EDTA/Air system.

    Science.gov (United States)

    Man, Xiaoyuan; Ning, Xun-An; Zou, Haiyuan; Liang, Jieying; Sun, Jian; Lu, Xingwen; Sun, Jiekui

    2018-01-01

    This paper proposes a combined ultrasound (US) and zero-valent iron/EDTA/Air (ZEA) system to remove polycyclic aromatic hydrocarbons (PAHs) from textile dyeing sludge. The removal efficiencies of 16 PAHs using ZEA, US/Air (air injected into the US process), and US/ZEA treatments were investigated, together with the effects of various operating parameters. The enhanced mechanisms of US and the role of reactive oxygen species (ROS) in removing PAHs in the US/ZEA system were explored. Results showed that only 42.5% and 32.9% of ∑16 PAHs were removed by ZEA and US/Air treatments respectively, whereas 70.1% were removed by US/ZEA treatment, (with favorable operating conditions of 2.0 mM EDTA, 15 g/L ZVI, and 1.08 w/cm 3 ultrasonic density). The US/ZEA system could be used with a wide pH range. US led to synergistic improvement of PAHs removal in the ZEA system by enhancing sludge disintegration to release PAHs and promoting ZVI corrosion and oxygen activation. In the US/ZEA system, PAHs could be degraded by ROS (namely OH, O 2 - /HO 2 , and Fe(IV)) and adsorbed by ZVI, during which the ROS made the predominant contribution. This study provides important insights into the application of a US/ZEA system to remove PAHs from sludge. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. Kinetic study of hydrogen peroxide decomposition by catalase in a flow-mix microcalorimetric system

    International Nuclear Information System (INIS)

    Fidaleo, Marcello; Lavecchia, Roberto

    2003-01-01

    The kinetics of hydrogen peroxide decomposition by the enzyme catalase was studied at pH 7.4 in the temperature range 10-30 deg. C. Experiments were performed by the LKB-2277 Thermal Activity Monitor equipped with a flow-mix cylinder. The calorimetric reaction unit was schematised as a tubular reactor operating under plug-flow conditions. A first-order kinetic expression, with respect to both the substrate and the enzyme, was used to describe the rate of hydrogen peroxide decomposition. Regression analysis of calorimetric data provided a molar reaction enthalpy of -87.55 kJ mol -1 and an activation energy of 11 kJ mol -1 . Analysis of model residuals and the normal probability plot indicated that the results obtained were statistically significant

  2. Phase behaviour in water/hydrocarbon mixtures involved in gas production systems; etude des equilibres des systemes: eau-hydrocarbures-gaz acides dans le cadre de la production de gaz

    Energy Technology Data Exchange (ETDEWEB)

    Chapoy, A.

    2004-11-15

    Inside wells, natural gases frequently coexist with water. The gases are in equilibrium with the sub-adjacent aquifer. Many problems are associated with the presence of water during the production, transport and processing of natural gases. Accurate knowledge of the thermodynamic properties of the water/hydrocarbon and water-inhibitor/hydrocarbon equilibria near the hydrate forming conditions, at sub-sea pipeline conditions and during the transport is crucial for the petroleum industry. An apparatus based on a static/analytic method combined with a dilutor apparatus to calibrate on the gas chromatograph (GC) detectors with water was used to measure the water content of binary systems (i.e.: water - methane, ethane - water, nitrogen - water...) as well of a synthetic hydrocarbon gas mixture (i.e.: 94% methane, 4% ethane and 2% n-butane) with and without inhibitor. This same apparatus was also used generate data of methane, ethane, propane, n-butane and nitrogen solubility in water and also the solubilities of a synthetic mixture in water. In-house software has been developed in order to fit and model the experimental data. (author)

  3. Systems biology of coagulation initiation: kinetics of thrombin generation in resting and activated human blood.

    Directory of Open Access Journals (Sweden)

    Manash S Chatterjee

    2010-09-01

    Full Text Available Blood function defines bleeding and clotting risks and dictates approaches for clinical intervention. Independent of adding exogenous tissue factor (TF, human blood treated in vitro with corn trypsin inhibitor (CTI, to block Factor XIIa will generate thrombin after an initiation time (T(i of 1 to 2 hours (depending on donor, while activation of platelets with the GPVI-activator convulxin reduces T(i to ∼20 minutes. Since current kinetic models fail to generate thrombin in the absence of added TF, we implemented a Platelet-Plasma ODE model accounting for: the Hockin-Mann protease reaction network, thrombin-dependent display of platelet phosphatidylserine, VIIa function on activated platelets, XIIa and XIa generation and function, competitive thrombin substrates (fluorogenic detector and fibrinogen, and thrombin consumption during fibrin polymerization. The kinetic model consisting of 76 ordinary differential equations (76 species, 57 reactions, 105 kinetic parameters predicted the clotting of resting and convulxin-activated human blood as well as predicted T(i of human blood under 50 different initial conditions that titrated increasing levels of TF, Xa, Va, XIa, IXa, and VIIa. Experiments with combined anti-XI and anti-XII antibodies prevented thrombin production, demonstrating that a leak of XIIa past saturating amounts of CTI (and not "blood-borne TF" alone was responsible for in vitro initiation without added TF. Clotting was not blocked by antibodies used individually against TF, VII/VIIa, P-selectin, GPIb, protein disulfide isomerase, cathepsin G, nor blocked by the ribosome inhibitor puromycin, the Clk1 kinase inhibitor Tg003, or inhibited VIIa (VIIai. This is the first model to predict the observed behavior of CTI-treated human blood, either resting or stimulated with platelet activators. CTI-treated human blood will clot in vitro due to the combined activity of XIIa and XIa, a process enhanced by platelet activators and which proceeds

  4. Common features of electrochemical kinetics of the lithium electrode in different electrolyte systems

    International Nuclear Information System (INIS)

    Churikov, A.V.; L'vov, A.L.; Gamayunova, I.M.; Shirokov, A.V.

    1999-01-01

    Electrochemical behaviour of Li-electrode in LiAlCl 4 solutions in thienyl chloride and LiBF 4 solutions in γ-butyrolactone is studied as well as Li-electrode with Li 2 CO 3 protected film in LiClO 4 solution in mixed solvent (propylene carbonate and dimethoxyethane). Common regularities of Li-electrode electrochemical kinetic are discussed. Methods of electrode impedance spectroscopy and pulse voltametry are used for investigations

  5. Analytical solution of point kinetic equations for sub-critical systems

    International Nuclear Information System (INIS)

    Henrice Junior, Edson; Goncalves, Alessandro C.

    2013-01-01

    This article presents an analytical solution for the set of point kinetic equations for sub-critical reactors. This solution stems from the ordinary, non-homogeneous differential equation that rules the neutron density and that presents the incomplete Gamma function in its functional form. The method used proved advantageous and allowed practical applications such as the linear insertion of reactivity, considering an external constant source or with both varying linearly. (author)

  6. Probable existence of a Gondwana transcontinental rift system in western India: Implications in hydrocarbon exploration in Kutch and Saurashtra offshore: A GIS-based approach

    Science.gov (United States)

    Mazumder, S.; Tep, Blecy; Pangtey, K. K. S.; Das, K. K.; Mitra, D. S.

    2017-08-01

    The Gondwanaland assembly rifted dominantly during Late Carboniferous-Early Permian forming several intracratonic rift basins. These rifts were subsequently filled with a thick sequence of continental clastic sediments with minor marine intercalations in early phase. In western part of India, these sediments are recorded in enclaves of Bikaner-Nagaur and Jaisalmer basins in Rajasthan. Facies correlatives of these sediments are observed in a number of basins that were earlier thought to be associated with the western part of India. The present work is a GIS based approach to reconnect those basins to their position during rifting and reconstruct the tectono-sedimentary environment at that time range. The study indicates a rift system spanning from Arabian plate in the north and extending to southern part of Africa that passes through Indus basin, western part of India and Madagascar, and existed from Late Carboniferous to Early Jurassic. Extensions related to the opening of Neo-Tethys led to the formation of a number of cross trends in the rift systems that acted as barriers to marine transgressions from the north as well as disrupted the earlier continuous longitudinal drainage systems. The axis of this rift system is envisaged to pass through present day offshore Kutch and Saurashtra and implies a thick deposit of Late Carboniferous to Early Jurassic sediments in these areas. Based on analogy with other basins associated with this rift system, these sediments may be targeted for hydrocarbon exploration.

  7. Factors impacting biotransformation kinetics of trace organic compounds in lab-scale activated sludge systems performing nitrification and denitrification

    International Nuclear Information System (INIS)

    Su, Lijuan; Aga, Diana; Chandran, Kartik; Khunjar, Wendell O.

    2015-01-01

    Highlights: • We examined TOrC biotransformation kinetics in nitrifying and denitrifying reators. • TOrC biotransformation was linked to heterotrophic and autotrophic activity. • TOrC biotransformation rates were not sensitive to the initial TOrC concentration. • Readily biodegradable organic matter suppressed TOrC biotransformation rates. - Abstract: To predict TOrC fate in biological activated sludge systems, there is a need to accurately determine TOrC biodegradation kinetics in mixed microbial cultures. Short-term batch tests with salicylic acid, 17α-ethinylestradiol, nonylphenol, trimethoprim and carbamazepine were conducted with lab-scale activated sludge cultures in which the initial TOrC concentration (1 mg/L and 0.0005 mg/L) and readily biodegradable substrate concentrations were varied. The results indicate that pseudo-first order kinetic estimates of TOrC are not sensitive (p > 0.05) to the initial TOrC concentration as long as the initial TOrC concentration (S 0 ) to biomass (X 0 ) ratio (on COD basis) is below 2 × 10 −3 . The presence of readily biodegradable organic matter suppresses TOrC biotransformation rates under nitrifying and denitrifying conditions, and this impact can be adequately described using a reversible non-competitive inhibition equation. These results demonstrate the importance of closely mimicking parent reactor conditions in batch testing because biotransformation parameters are impacted by in-situ carbon loading and redox conditions

  8. Factors impacting biotransformation kinetics of trace organic compounds in lab-scale activated sludge systems performing nitrification and denitrification

    Energy Technology Data Exchange (ETDEWEB)

    Su, Lijuan; Aga, Diana [Department of Chemistry, University at Buffalo, State University of New York, Buffalo, NY 14260 (United States); Chandran, Kartik [Department of Earth and Environmental Engineering, Columbia University, New York, NY 10027 (United States); Khunjar, Wendell O., E-mail: wkhunjar@hazenandsawyer.com [Hazen and Sawyer P.C., Fairfax, VA 22030 (United States)

    2015-01-23

    Highlights: • We examined TOrC biotransformation kinetics in nitrifying and denitrifying reators. • TOrC biotransformation was linked to heterotrophic and autotrophic activity. • TOrC biotransformation rates were not sensitive to the initial TOrC concentration. • Readily biodegradable organic matter suppressed TOrC biotransformation rates. - Abstract: To predict TOrC fate in biological activated sludge systems, there is a need to accurately determine TOrC biodegradation kinetics in mixed microbial cultures. Short-term batch tests with salicylic acid, 17α-ethinylestradiol, nonylphenol, trimethoprim and carbamazepine were conducted with lab-scale activated sludge cultures in which the initial TOrC concentration (1 mg/L and 0.0005 mg/L) and readily biodegradable substrate concentrations were varied. The results indicate that pseudo-first order kinetic estimates of TOrC are not sensitive (p > 0.05) to the initial TOrC concentration as long as the initial TOrC concentration (S{sub 0}) to biomass (X{sub 0}) ratio (on COD basis) is below 2 × 10{sup −3}. The presence of readily biodegradable organic matter suppresses TOrC biotransformation rates under nitrifying and denitrifying conditions, and this impact can be adequately described using a reversible non-competitive inhibition equation. These results demonstrate the importance of closely mimicking parent reactor conditions in batch testing because biotransformation parameters are impacted by in-situ carbon loading and redox conditions.

  9. Hydrocarbon Rocket Technology Impact Forecasting

    Science.gov (United States)

    Stuber, Eric; Prasadh, Nishant; Edwards, Stephen; Mavris, Dimitri N.

    2012-01-01

    Ever since the Apollo program ended, the development of launch propulsion systems in the US has fallen drastically, with only two new booster engine developments, the SSME and the RS-68, occurring in the past few decades.1 In recent years, however, there has been an increased interest in pursuing more effective launch propulsion technologies in the U.S., exemplified by the NASA Office of the Chief Technologist s inclusion of Launch Propulsion Systems as the first technological area in the Space Technology Roadmaps2. One area of particular interest to both government agencies and commercial entities has been the development of hydrocarbon engines; NASA and the Air Force Research Lab3 have expressed interest in the use of hydrocarbon fuels for their respective SLS Booster and Reusable Booster System concepts, and two major commercially-developed launch vehicles SpaceX s Falcon 9 and Orbital Sciences Antares feature engines that use RP-1 kerosene fuel. Compared to engines powered by liquid hydrogen, hydrocarbon-fueled engines have a greater propellant density (usually resulting in a lighter overall engine), produce greater propulsive force, possess easier fuel handling and loading, and for reusable vehicle concepts can provide a shorter turnaround time between launches. These benefits suggest that a hydrocarbon-fueled launch vehicle would allow for a cheap and frequent means of access to space.1 However, the time and money required for the development of a new engine still presents a major challenge. Long and costly design, development, testing and evaluation (DDT&E) programs underscore the importance of identifying critical technologies and prioritizing investment efforts. Trade studies must be performed on engine concepts examining the affordability, operability, and reliability of each concept, and quantifying the impacts of proposed technologies. These studies can be performed through use of the Technology Impact Forecasting (TIF) method. The Technology Impact

  10. Method for the conversion of hydrocarbon charges

    Energy Technology Data Exchange (ETDEWEB)

    Whittam, T V

    1976-11-11

    The basis of the invention is the application of defined zeolites as catalysts to hydrocarbon conversion processes such as reformation, isomerization, dehydrocyclization, and cracking. By charging the zeolite carrier masses with 0.001 to 5% metal of the 8th group of the periodic system, preferably noble metals, a wide region of applications for the catalysts is achieved. A method for the isomerization of an alkyl benzene (or mixture of alkyl benzenes) in the liquid or gas phase under suitable temperature, pressure and flow-rate conditions, as well as in the presence of a cyclic hydrocarbon, is described as preferential model form of the invention; furthermore, a method for the reformation of a hydrocarbon fraction boiling in the gasoline or benzene boiling region and a method for the hydrocracking of hydrocarbon charge (e.g. naphtha, kerosine, gas oils) are given. Types of performance of the methods are explained using various examples.

  11. GPU-accelerated atmospheric chemical kinetics in the ECHAM/MESSy (EMAC) Earth system model (version 2.52)

    Science.gov (United States)

    Alvanos, Michail; Christoudias, Theodoros

    2017-10-01

    This paper presents an application of GPU accelerators in Earth system modeling. We focus on atmospheric chemical kinetics, one of the most computationally intensive tasks in climate-chemistry model simulations. We developed a software package that automatically generates CUDA kernels to numerically integrate atmospheric chemical kinetics in the global climate model ECHAM/MESSy Atmospheric Chemistry (EMAC), used to study climate change and air quality scenarios. A source-to-source compiler outputs a CUDA-compatible kernel by parsing the FORTRAN code generated by the Kinetic PreProcessor (KPP) general analysis tool. All Rosenbrock methods that are available in the KPP numerical library are supported.Performance evaluation, using Fermi and Pascal CUDA-enabled GPU accelerators, shows achieved speed-ups of 4. 5 × and 20. 4 × , respectively, of the kernel execution time. A node-to-node real-world production performance comparison shows a 1. 75 × speed-up over the non-accelerated application using the KPP three-stage Rosenbrock solver. We provide a detailed description of the code optimizations used to improve the performance including memory optimizations, control code simplification, and reduction of idle time. The accuracy and correctness of the accelerated implementation are evaluated by comparing to the CPU-only code of the application. The median relative difference is found to be less than 0.000000001 % when comparing the output of the accelerated kernel the CPU-only code.The approach followed, including the computational workload division, and the developed GPU solver code can potentially be used as the basis for hardware acceleration of numerous geoscientific models that rely on KPP for atmospheric chemical kinetics applications.

  12. GPU-accelerated atmospheric chemical kinetics in the ECHAM/MESSy (EMAC Earth system model (version 2.52

    Directory of Open Access Journals (Sweden)

    M. Alvanos

    2017-10-01

    Full Text Available This paper presents an application of GPU accelerators in Earth system modeling. We focus on atmospheric chemical kinetics, one of the most computationally intensive tasks in climate–chemistry model simulations. We developed a software package that automatically generates CUDA kernels to numerically integrate atmospheric chemical kinetics in the global climate model ECHAM/MESSy Atmospheric Chemistry (EMAC, used to study climate change and air quality scenarios. A source-to-source compiler outputs a CUDA-compatible kernel by parsing the FORTRAN code generated by the Kinetic PreProcessor (KPP general analysis tool. All Rosenbrock methods that are available in the KPP numerical library are supported.Performance evaluation, using Fermi and Pascal CUDA-enabled GPU accelerators, shows achieved speed-ups of 4. 5 ×  and 20. 4 × , respectively, of the kernel execution time. A node-to-node real-world production performance comparison shows a 1. 75 ×  speed-up over the non-accelerated application using the KPP three-stage Rosenbrock solver. We provide a detailed description of the code optimizations used to improve the performance including memory optimizations, control code simplification, and reduction of idle time. The accuracy and correctness of the accelerated implementation are evaluated by comparing to the CPU-only code of the application. The median relative difference is found to be less than 0.000000001 % when comparing the output of the accelerated kernel the CPU-only code.The approach followed, including the computational workload division, and the developed GPU solver code can potentially be used as the basis for hardware acceleration of numerous geoscientific models that rely on KPP for atmospheric chemical kinetics applications.

  13. Predicting in vivo effect levels for repeat-dose systemic toxicity using chemical, biological, kinetic and study covariates.

    Science.gov (United States)

    Truong, Lisa; Ouedraogo, Gladys; Pham, LyLy; Clouzeau, Jacques; Loisel-Joubert, Sophie; Blanchet, Delphine; Noçairi, Hicham; Setzer, Woodrow; Judson, Richard; Grulke, Chris; Mansouri, Kamel; Martin, Matthew

    2018-02-01

    In an effort to address a major challenge in chemical safety assessment, alternative approaches for characterizing systemic effect levels, a predictive model was developed. Systemic effect levels were curated from ToxRefDB, HESS-DB and COSMOS-DB from numerous study types totaling 4379 in vivo studies for 1247 chemicals. Observed systemic effects in mammalian models are a complex function of chemical dynamics, kinetics, and inter- and intra-individual variability. To address this complex problem, systemic effect levels were modeled at the study-level by leveraging study covariates (e.g., study type, strain, administration route) in addition to multiple descriptor sets, including chemical (ToxPrint, PaDEL, and Physchem), biological (ToxCast), and kinetic descriptors. Using random forest modeling with cross-validation and external validation procedures, study-level covariates alone accounted for approximately 15% of the variance reducing the root mean squared error (RMSE) from 0.96 log 10 to 0.85 log 10  mg/kg/day, providing a baseline performance metric (lower expectation of model performance). A consensus model developed using a combination of study-level covariates, chemical, biological, and kinetic descriptors explained a total of 43% of the variance with an RMSE of 0.69 log 10  mg/kg/day. A benchmark model (upper expectation of model performance) was also developed with an RMSE of 0.5 log 10  mg/kg/day by incorporating study-level covariates and the mean effect level per chemical. To achieve a representative chemical-level prediction, the minimum study-level predicted and observed effect level per chemical were compared reducing the RMSE from 1.0 to 0.73 log 10  mg/kg/day, equivalent to 87% of predictions falling within an order-of-magnitude of the observed value. Although biological descriptors did not improve model performance, the final model was enriched for biological descriptors that indicated xenobiotic metabolism gene expression, oxidative stress, and

  14. Hydrocarbon Degradation in Caspian Sea Sediment Cores Subjected to Simulated Petroleum Seepage in a Newly Designed Sediment-Oil-Flow-Through System

    Directory of Open Access Journals (Sweden)

    Tina Treude

    2017-04-01

    Full Text Available The microbial community response to petroleum seepage was investigated in a whole round sediment core (16 cm length collected nearby natural hydrocarbon seepage structures in the Caspian Sea, using a newly developed Sediment-Oil-Flow-Through (SOFT system. Distinct redox zones established and migrated vertically in the core during the 190 days-long simulated petroleum seepage. Methanogenic petroleum degradation was indicated by an increase in methane concentration from 8 μM in an untreated core compared to 2300 μM in the lower sulfate-free zone of the SOFT core at the end of the experiment, accompanied by a respective decrease in the δ13C signal of methane from -33.7 to -49.5‰. The involvement of methanogens in petroleum degradation was further confirmed by methane production in enrichment cultures from SOFT sediment after the addition of hexadecane, methylnapthalene, toluene, and ethylbenzene. Petroleum degradation coupled to sulfate reduction was indicated by the increase of integrated sulfate reduction rates from 2.8 SO42-m-2 day-1 in untreated cores to 5.7 mmol SO42-m-2 day-1 in the SOFT core at the end of the experiment, accompanied by a respective accumulation of sulfide from 30 to 447 μM. Volatile hydrocarbons (C2–C6 n-alkanes passed through the methanogenic zone mostly unchanged and were depleted within the sulfate-reducing zone. The amount of heavier n-alkanes (C10–C38 decreased step-wise toward the top of the sediment core and a preferential degradation of shorter (C30 was seen during the seepage. This study illustrates, to the best of our knowledge, for the first time the development of methanogenic petroleum degradation and the succession of benthic microbial processes during petroleum passage in a whole round sediment core.

  15. Hydrocarbon Degradation in Caspian Sea Sediment Cores Subjected to Simulated Petroleum Seepage in a Newly Designed Sediment-Oil-Flow-Through System.

    Science.gov (United States)

    Mishra, Sonakshi; Wefers, Peggy; Schmidt, Mark; Knittel, Katrin; Krüger, Martin; Stagars, Marion H; Treude, Tina

    2017-01-01

    The microbial community response to petroleum seepage was investigated in a whole round sediment core (16 cm length) collected nearby natural hydrocarbon seepage structures in the Caspian Sea, using a newly developed Sediment-Oil-Flow-Through (SOFT) system. Distinct redox zones established and migrated vertically in the core during the 190 days-long simulated petroleum seepage. Methanogenic petroleum degradation was indicated by an increase in methane concentration from 8 μM in an untreated core compared to 2300 μM in the lower sulfate-free zone of the SOFT core at the end of the experiment, accompanied by a respective decrease in the δ 13 C signal of methane from -33.7 to -49.5‰. The involvement of methanogens in petroleum degradation was further confirmed by methane production in enrichment cultures from SOFT sediment after the addition of hexadecane, methylnapthalene, toluene, and ethylbenzene. Petroleum degradation coupled to sulfate reduction was indicated by the increase of integrated sulfate reduction rates from 2.8 SO 4 2- m -2 day -1 in untreated cores to 5.7 mmol SO 4 2- m -2 day -1 in the SOFT core at the end of the experiment, accompanied by a respective accumulation of sulfide from 30 to 447 μM. Volatile hydrocarbons (C2-C6 n -alkanes) passed through the methanogenic zone mostly unchanged and were depleted within the sulfate-reducing zone. The amount of heavier n -alkanes (C10-C38) decreased step-wise toward the top of the sediment core and a preferential degradation of shorter (C30) was seen during the seepage. This study illustrates, to the best of our knowledge, for the first time the development of methanogenic petroleum degradation and the succession of benthic microbial processes during petroleum passage in a whole round sediment core.

  16. Petroleum hydrocarbons in a water-sediment system from Yellow River estuary and adjacent coastal area, China: Distribution pattern, risk assessment and sources.

    Science.gov (United States)

    Wang, Min; Wang, Chuanyuan; Li, Yuanwei

    2017-09-15

    Aliphatic hydrocarbons (AHs), biomarker and polycyclic aromatic hydrocarbons (PAHs) concentrations of surface water and sediment samples collected from Yellow River Estuary and adjacent coastal area in China were measured to determine their spatial distributions, analyze their sources and evaluate the ecological risk of PAHs in the water-sediment system. The spatial distributions of n-alkane in sediments are mainly controlled by the mixing inputs of terrigenous and marine components. In comparison with AHs, the total concentrations of Σ16PAHs in surface sediments from a transect of the offshore area were noticeably higher than that of the riverine and estuary areas. Additionally, the AHs and total PAHs concentrations all indicated an overall pattern of a seaward decrease. The PAHs concentrations during the dry season (mainly in the form of dissolved phase) were higher than that of PAHs (mainly dissolved phase and particulate phase form) in the flooding season. In comparison with global concentration levels of PAHs, the level of PAHs in suspended particulate matter and sediments from the Yellow River Estuary was lower than those from other countries, while the concentration of PAHs in the dissolved phase were in the middle range. Petroleum contamination, mainly from oil exploration and discharge of pollutants from rivers, was the main source of n-alkanes. The PAHs in the river were mostly of petrogenic origin, while those in the estuarial and marine areas originated mainly from pyrogenic sources. The results of the toxicology assessment suggested that the PAHs in sediments from Yellow River Estuary and adjacent coastal area exhibited a low potential eco-toxicological contamination level. Copyright © 2017 Elsevier Ltd. All rights reserved.

  17. Thraustochytrid protists degrade hydrocarbons

    Digital Repository Service at National Institute of Oceanography (India)

    Raikar, M.T.; Raghukumar, S.; Vani, V.; David, J.J.; Chandramohan, D.

    isolation tubes with crude oil. Three isolates tested showed positive hydrophobicity of cell walls as judged by the Microbial Adhesion to Hydrocarbons (MATH) assay. Addition of Bombay High crude oil to nutrient broth slightly enhanced growth of the protists...

  18. Purifying hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    Rostin, H

    1938-08-11

    A process is described for continuously purifying hydrocarbon oils consisting in conducting the vapors of the same at a temperature of 300 to 400/sup 0/C over the oelitic ore minette together with reducing gases in presence of steam the proportion of the reducing gases and steam being such that the sulfur of the hydrocarbons escapes from the reaction chamber in the form of sulfuretted hydrogen without permanent sulfide of iron being formed.

  19. Process for refining hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Risenfeld, E H

    1924-11-26

    A process is disclosed for the refining of hydrocarbons or other mixtures through treatment in vapor form with metal catalysts, characterized by such metals being used as catalysts, which are obtained by reduction of the oxide of minerals containing the iron group, and by the vapors of the hydrocarbons, in the presence of the water vapor, being led over these catalysts at temperatures from 200 to 300/sup 0/C.

  20. The browning kinetics of the non-enzymatic browning reaction in L-ascorbic acid/basic amino acid systems

    Directory of Open Access Journals (Sweden)

    Ai-Nong YU

    Full Text Available Abstract Under the conditions of weak basis and the reaction temperature range of 110-150 °C, lysine, arginine and histidine were reacted with L-ascorbic acid at equal amount for 30-150 min, respectively and the formation of browning products was monitored with UV–vis spectrometry. The kinetic characteristics of their non-enzymatic browning reaction were investigated. The study results indicated that the non-enzymatic browning reaction of these three amino acids with L-ascorbic acid to form browning products was zero-order reaction. The apparent activation energies for the formation of browning products from L-ascorbic acid/lysine, L-ascorbic acid/arginine and L-ascorbic acid/histidine systems were 54.94, 50.08 and 35.31kJ/mol. The activation energy data indicated the degree of effects of reaction temperature on non-enzymatic browning reaction. Within the temperature range of 110-150 °C, the reaction rate of L-ascorbic acid/lysine system was the fastest one, followed by that of the L-ascorbic acid/arginine system. The reaction rate of L-ascorbic acid/histidine system was the slowest one. Based on the observed kinetic data, the formation mechanisms of browning products were proposed.

  1. Thermal hysteresis kinetic effects of spin crossover nanoparticulated systems studied by FORC diagram method on an Ising-like model

    International Nuclear Information System (INIS)

    Atitoaie, Alexandru; Stoleriu, Laurentiu; Tanasa, Radu; Stancu, Alexandru; Enachescu, Cristian

    2016-01-01

    The scientific community is manifesting a high research interest on spin crossover compounds and their recently synthesized nanoparticles, due to their various appealing properties, such as the bistability between a diamagnetic low spin state and a paramagnetic high spin state (HS), inter-switchable by temperature or pressure changes, light irradiation or magnetic field. The utility of these compounds showing hysteresis covers a broad area of applications, from the development of more efficient designs of temperature and pressure sensors to automotive and aeronautic industries and even a new type of molecular actuators. We are proposing in this work a study regarding the kinetic effects and the distribution of reversible and irreversible components on the thermal hysteresis of spin crossover nanoparticulated systems. We are considering here tridimensional systems with different sizes and also systems of nanoparticles with a Gaussian size distribution. The correlations between the kinetics of the thermal hysteresis, the distributions of sizes and intermolecular interactions and the transition temperature distributions were established by using the FORC (First Order Reversal Curves) method using a Monte Carlo technique within an Ising-like system.

  2. Thermodynamics and relativistic kinetic theory for q-generalized Bose-Einstein and Fermi-Dirac systems

    Energy Technology Data Exchange (ETDEWEB)

    Mitra, Sukanya [Indian Institute of Technology Gandhinagar, Gandhinagar, Gujarat (India)

    2018-01-15

    The thermodynamics and covariant kinetic theory are elaborately investigated in a non-extensive environment considering the non-extensive generalization of Bose-Einstein (BE) and Fermi-Dirac (FD) statistics. Starting with Tsallis' entropy formula, the fundamental principles of thermostatistics are established for a grand canonical system having q-generalized BE/FD degrees of freedom. Many particle kinetic theory is set up in terms of the relativistic transport equation with q-generalized Uehling-Uhlenbeck collision term. The conservation laws are realized in terms of appropriate moments of the transport equation. The thermodynamic quantities are obtained in a weak non-extensive environment for a massive pion-nucleon and a massless quark-gluon system with non-zero baryon chemical potential. In order to get an estimate of the impact of non-extensivity on the system dynamics, the q-modified Debye mass and hence the q-modified effective coupling are estimated for a quark-gluon system. (orig.)

  3. Thermodynamics and relativistic kinetic theory for q-generalized Bose-Einstein and Fermi-Dirac systems

    Science.gov (United States)

    Mitra, Sukanya

    2018-01-01

    The thermodynamics and covariant kinetic theory are elaborately investigated in a non-extensive environment considering the non-extensive generalization of Bose-Einstein (BE) and Fermi-Dirac (FD) statistics. Starting with Tsallis' entropy formula, the fundamental principles of thermostatistics are established for a grand canonical system having q-generalized BE/FD degrees of freedom. Many particle kinetic theory is set up in terms of the relativistic transport equation with q-generalized Uehling-Uhlenbeck collision term. The conservation laws are realized in terms of appropriate moments of the transport equation. The thermodynamic quantities are obtained in a weak non-extensive environment for a massive pion-nucleon and a massless quark-gluon system with non-zero baryon chemical potential. In order to get an estimate of the impact of non-extensivity on the system dynamics, the q-modified Debye mass and hence the q-modified effective coupling are estimated for a quark-gluon system.

  4. Kinetics of Waterborne Alkyd/Acrylic Hybrid Resin Free Radical Polymerization by Two Systems of Redox and Thermal Initiators

    Directory of Open Access Journals (Sweden)

    shirin Madadi

    2012-12-01

    Full Text Available Kinetics of radical polymerizations of waterborne alkyd/acrylic hybrid resin via batch mini-emulsion technique was studied using redox initiators (TBHP/Fe2+/EDTA/AsAc  and  TBHP/Fe2+/EDTA/SFS at relatively low temperatures and thermal initiators (BPO, KPS and AIBN at higher temperatures to seek the most suitable initiator system. At the end of all reactions the unreacted monomer content was reduced using post-polymerization technique; consequently, leading to increased monomer conversion and flm formation with improved properties. The kinetics of mini-emulsion polymerization showed that in all redox initiator systems (Fe2+ catalyst + EDTA chelating agent, the radials are produced at relatively low temperature with more effcient control of the reactor temperature. It was found that at 45°C TBHP/Fe2+/EDTA/SFS redox initiator system leads to 98% monomer conversion, a much higher rate than that of systems involved thermal initiators.

  5. Thermal hysteresis kinetic effects of spin crossover nanoparticulated systems studied by FORC diagram method on an Ising-like model

    Energy Technology Data Exchange (ETDEWEB)

    Atitoaie, Alexandru, E-mail: atitoaie@phys-iasi.ro [Department. of Physics, “Alexandru Ioan Cuza” University, 700506 Iasi (Romania); National Institute of Research and Development for Technical Physics, Iasi (Romania); Stoleriu, Laurentiu [Department. of Physics, “Alexandru Ioan Cuza” University, 700506 Iasi (Romania); Tanasa, Radu [Department. of Physics, “Alexandru Ioan Cuza” University, 700506 Iasi (Romania); Department of Engineering, University of Cambridge, CB2 1PZ Cambridge (United Kingdom); Stancu, Alexandru; Enachescu, Cristian [Department. of Physics, “Alexandru Ioan Cuza” University, 700506 Iasi (Romania)

    2016-04-01

    The scientific community is manifesting a high research interest on spin crossover compounds and their recently synthesized nanoparticles, due to their various appealing properties, such as the bistability between a diamagnetic low spin state and a paramagnetic high spin state (HS), inter-switchable by temperature or pressure changes, light irradiation or magnetic field. The utility of these compounds showing hysteresis covers a broad area of applications, from the development of more efficient designs of temperature and pressure sensors to automotive and aeronautic industries and even a new type of molecular actuators. We are proposing in this work a study regarding the kinetic effects and the distribution of reversible and irreversible components on the thermal hysteresis of spin crossover nanoparticulated systems. We are considering here tridimensional systems with different sizes and also systems of nanoparticles with a Gaussian size distribution. The correlations between the kinetics of the thermal hysteresis, the distributions of sizes and intermolecular interactions and the transition temperature distributions were established by using the FORC (First Order Reversal Curves) method using a Monte Carlo technique within an Ising-like system.

  6. Evaluation of kinetic uncertainty in numerical models of petroleum generation

    Science.gov (United States)

    Peters, K.E.; Walters, C.C.; Mankiewicz, P.J.

    2006-01-01

    Oil-prone marine petroleum source rocks contain type I or type II kerogen having Rock-Eval pyrolysis hydrogen indices greater than 600 or 300-600 mg hydrocarbon/g total organic carbon (HI, mg HC/g TOC), respectively. Samples from 29 marine source rocks worldwide that contain mainly type II kerogen (HI = 230-786 mg HC/g TOC) were subjected to open-system programmed pyrolysis to determine the activation energy distributions for petroleum generation. Assuming a burial heating rate of 1??C/m.y. for each measured activation energy distribution, the calculated average temperature for 50% fractional conversion of the kerogen in the samples to petroleum is approximately 136 ?? 7??C, but the range spans about 30??C (???121-151??C). Fifty-two outcrop samples of thermally immature Jurassic Oxford Clay Formation were collected from five locations in the United Kingdom to determine the variations of kinetic response for one source rock unit. The samples contain mainly type I or type II kerogens (HI = 230-774 mg HC/g TOC). At a heating rate of 1??C/m.y., the calculated temperatures for 50% fractional conversion of the Oxford Clay kerogens to petroleum differ by as much as 23??C (127-150??C). The data indicate that kerogen type, as defined by hydrogen index, is not systematically linked to kinetic response, and that default kinetics for the thermal decomposition of type I or type II kerogen can introduce unacceptable errors into numerical simulations. Furthermore, custom kinetics based on one or a few samples may be inadequate to account for variations in organofacies within a source rock. We propose three methods to evaluate the uncertainty contributed by kerogen kinetics to numerical simulations: (1) use the average kinetic distribution for multiple samples of source rock and the standard deviation for each activation energy in that distribution; (2) use source rock kinetics determined at several locations to describe different parts of the study area; and (3) use a weighted

  7. The kinetic model of 137Cs behavior in the system 'soil - plant' accounting of agrochemical soil properties

    International Nuclear Information System (INIS)

    Prister, B.S.; Vinogradskaya, V.D.

    2011-01-01

    From data of the long-term radiological monitoring contaminated after Chernobyl accident lands of Ukraine investigated the dynamics of 137 Cs accumulation by plants in a wide range of environmental conditions. On the basis of modern concepts about the transformation of radionuclides forms in the soil created kinetic model the 137 Cs behavior in the system 'soil - plant', which uses as an argument to a complex estimation of agrochemical properties of soil, calculated according to the triad - the reaction of the soil solution, organic matter content and the amount of absorbed bases. Establish the high accuracy of the model and estimate the possibility of its use for other territories.

  8. The complex reaction kinetics of neptunium including redox and extraction process in 30% TBP-nitric acid system

    International Nuclear Information System (INIS)

    Hu Zhang; Zhan-yuan Liu; Xian-ming Zhou; Li Li

    2017-01-01

    In order to understand the complex and dynamic neptunium process chemistry in the TBP-HNO_3 system, the kinetics involved reversible redox reaction and extraction mass transfer was investigated. The results indicates that the mass transfer rate of Np(VI) is much faster than the redox reaction in aqueous solution. The concentrations of nitric acid and nitrous acid not only can change the Np(V) oxidation reaction and Np(VI) reduction reaction rate, but also can ultimately determine the distribution of neptunium extraction equilibrium. The variety of temperature can only influence the extraction equilibrium time, but cannot alter the equilibrium state of neptunium. (author)

  9. Kinetics of Waterborne Alkyd/Acrylic Hybrid Resin Free Radical Polymerization by Two Systems of Redox and Thermal Initiators

    OpenAIRE

    shirin Madadi; ali akbar Yousefi; elham Keshmirizadeh

    2012-01-01

    Kinetics of radical polymerizations of waterborne alkyd/acrylic hybrid resin via batch mini-emulsion technique was studied using redox initiators (TBHP/Fe2+/EDTA/AsAc  and  TBHP/Fe2+/EDTA/SFS) at relatively low temperatures and thermal initiators (BPO, KPS and AIBN) at higher temperatures to seek the most suitable initiator system. At the end of all reactions the unreacted monomer content was reduced using post-polymerization technique; consequently, leading to increased monomer conversion an...

  10. Linking genes to microbial growth kinetics: an integrated biochemical systems engineering approach.

    Science.gov (United States)

    Koutinas, Michalis; Kiparissides, Alexandros; Silva-Rocha, Rafael; Lam, Ming-Chi; Martins Dos Santos, Vitor A P; de Lorenzo, Victor; Pistikopoulos, Efstratios N; Mantalaris, Athanasios

    2011-07-01

    The majority of models describing the kinetic properties of a microorganism for a given substrate are unstructured and empirical. They are formulated in this manner so that the complex mechanism of cell growth is simplified. Herein, a novel approach for modelling microbial growth kinetics is proposed, linking biomass growth and substrate consumption rates to the gene regulatory programmes that control these processes. A dynamic model of the TOL (pWW0) plasmid of Pseudomonas putida mt-2 has been developed, describing the molecular interactions that lead to the transcription of the upper and meta operons, known to produce the enzymes for the oxidative catabolism of m-xylene. The genetic circuit model was combined with a growth kinetic model decoupling biomass growth and substrate consumption rates, which are expressed as independent functions of the rate-limiting enzymes produced by the operons. Estimation of model parameters and validation of the model's predictive capability were successfully performed in batch cultures of mt-2 fed with different concentrations of m-xylene, as confirmed by relative mRNA concentration measurements of the promoters encoded in TOL. The growth formation and substrate utilisation patterns could not be accurately described by traditional Monod-type models for a wide range of conditions, demonstrating the critical importance of gene regulation for the development of advanced models closely predicting complex bioprocesses. In contrast, the proposed strategy, which utilises quantitative information pertaining to upstream molecular events that control the production of rate-limiting enzymes, predicts the catabolism of a substrate and biomass formation and could be of central importance for the design of optimal bioprocesses. Copyright © 2011 Elsevier Inc. All rights reserved.

  11. On the kinetic collisional theory of beam-plasma system (relativistic dielectric tensor). Vol. 2.

    Energy Technology Data Exchange (ETDEWEB)

    Khalil, Sh M; Sayed, Y A; Zaki, N G [Plasma Physics and Nuclear Fusion Department, Nuclear Research Center, Atomic Energy Authority, Cairo, (Egypt)

    1996-03-01

    Calculation of the dielectric tensor is useful for calculating and oscillations the stability of an inhomogeneous plasma. If the dielectric tensor is known, the problem of oscillations is reduced the derivation of the Maxwellian equations. In this case, there is no need to derive the equations of the motion of charged particles every time. The properties of the plasma, especially those connected to its instability, may be equally well specified through permittivity as through conductivity. The features of plasma instabilities and the plasma dielectric tensor are essentially affected by the presence of collision. Coloumb collisions (C.C.) are very important in the process of no linear saturation of some plasma instabilities (e.g., ion cyclotron instability, electron-ion two stream instability). For C.C., two basic properties are considered; (i) the cross section decreases rapidly as the particle velocity increases, (ii) the dominate contribution arises from a commutative effect of small-angle scattering or small-momentum transfer processes. If allowance is made for C.C. to derive the kinetic wave equations in a homogeneous plasma, it will remove the divergance in the matrix elements describing nonlinear interactions. In this paper, the collisional kinetic wave equation in cylindrical hot plasma is studied. The dielectric and polarizing tensor elements which describes the kinetic relativistic electron beam (REB) interaction with magnetized plasma into consideration the effect of pair C.C. is derived. Most research carried out in this direction has neglected the effect of C.C. In the absence of collisions, a `plauste` is formed on the distribution function, and the adsorption of the energy by the plasma stops. 1 fig.

  12. Kinetic studies on uranium stripping in D2EHPA+TBP/phosphoric acid system

    International Nuclear Information System (INIS)

    Yadav, K.K.; Singh, D.K.; Kotekar, M.K.; Anitha, M.; Vijayalakshmi, R.; Singh, H.

    2010-01-01

    Full text: A novel process based on synergistic mixture of 1.5 M D2EHPA (di 2 ethyl hexyl phosphoric acid) + 0.2 M TBP (tri-n-butyl phosphate) to recover uranium from wet process phosphoric acid (WPA) has been developed. Though the equilibrium study for the above process has been investigated in detail its kinetic behavior has not been reported so far. The work presented in the paper is an attempt to study the kinetics of U(VI) stripping from extractant phase to aqueous phase in a constant interfacial area cell (Lewis cell). Kinetic study of the solvent extraction process helps in designing of equipment and optimizing process condition for the better utilization of solvent inventory. Mass transfer kinetics of stripping of U(VI) from loaded 1.5M D2EHPA+ 0.2M TBP with phosphoric acid (AR) has been studied over a wide range of experimental conditions such as stirring speed, interfacial contact area, phosphoric acid concentration, uranium concentration, extractant concentration in organic phase and temperature. Investigation on effect of stirring speed (100-500 rpm) on stripping of U(VI) showed that the rate constant (k) values increases linearly with increase in stirring speeds from 100 to 300 rpm (0.03 to 0.075 cm/min), while the k values were almost constant (0.0819 cm/min) in 300 to 400 rpm range, beyond 450 rpm the k values again increased due to increased turbulence at the interface. The rate constant value (∼0.0814 cm/min) was found to be independent of interfacial contact area (24.6 to 67.02 cm 2 ) available for mass transfer. The rate constants were found to increase with increase in phosphoric acid concentration (6-10M) and temperature (30-60 deg C), the values being in the range of 0.01 to 0.082 cm/min. The slopes of ln-ln plot showed that the stripping of U(VI) has a second order dependence on phosphoric acid concentration (slope∼2) at temperatures ranging from 30 to 60 deg C. The activation energy value for uranium stripping was found to be in the

  13. Electrostatically atomised hydrocarbon sprays

    Energy Technology Data Exchange (ETDEWEB)

    Yule, A.J.; Shrimpton, J.S.; Watkins, A.P.; Balachandran, W.; Hu, D. [UMIST, Manchester (United Kingdom). Thermofluids Division, Dept. of Mechanical Engineering

    1995-07-01

    A burner using an electrostatic method to produce and control a fuel spray is investigated for non-burning sprays. The burner has a charge injection nozzle and the liquid flow rate and charge injection rate are varied using hydrocarbon liquids of differing viscosities, surface tensions and electrical conductivities (kerosene, white spirit and diesel oil). Droplet size distributions are measured and it is shown how the dropsize, spray pattern, breakup mechanism and breakup length depend on the above variables, and in particular on the specific charge achieved in the spray. The data are valuable for validating two computer models under development. One predicts the electric field and flow field inside the nozzle as a function of emitter potential, geometry and flow rate. The other predicts the effect of charge on spray dispersion, with a view to optimizing spray combustion. It is shown that electrostatic disruptive forces can be used to atomize oils at flow rates commensurate with practical combustion systems and that the charge injection technique is particularly suitable for highly resistive liquids. Possible limitations requiring further research include the need to control the wide spray angle, which may provide fuel-air mixtures too lean near the nozzle, and the need to design for maximum charge injection rate, which is thought to be limited by corona breakdown in the gas near the nozzle orifice. 30 refs., 15 figs., 1 tab.

  14. Source rock hydrocarbons. Present status

    International Nuclear Information System (INIS)

    Vially, R.; Maisonnier, G.; Rouaud, T.

    2013-01-01

    This report first presents the characteristics of conventional oil and gas system, and the classification of liquid and gaseous non conventional hydrocarbons, with the peculiar case of coal-bed methane. The authors then describe how source rock hydrocarbons are produced: production of shale oils and gases (horizontal drilling, hydraulic fracturing, exploitation) and of coal-bed methane and coal mine methane. In the next part, they address and discuss the environmental impact of source rock hydrocarbon production: installation footprint, water resource management, drilling fluids, fracturing fluids composition, toxicity and recycling, air pollution, induced seismicity, pollutions from other exploitation and production activities. They propose an overview of the exploitation and production of source rock gas, coal-bed gas and other non conventional gases in the world. They describe the current development and discuss their economic impacts: world oil context and trends in the USA, in Canada and other countries, impacts on the North American market, on the world oil industry, on refining industries, on the world oil balance. They analyse the economic impacts of non conventional gases: development potential, stakes for the world gas trade, consequence for gas prices, development opportunities for oil companies and for the transport sector, impact on CO 2 emissions, macro-economic impact in the case of the USA

  15. Thermodynamics of organic mixtures containing amines. X. Phase equilibria for binary systems formed by imidazoles and hydrocarbons: Experimental data and modelling using DISQUAC

    Energy Technology Data Exchange (ETDEWEB)

    Domanska, Urszula; Zawadzki, Maciej [Physical Chemistry Division, Faculty of Chemistry, Warsaw University of Technology, 00-664 Warsaw (Poland); Gonzalez, Juan Antonio, E-mail: jagl@termo.uva.e [G.E.T.E.F., Grupo Especializado en Termodinamica de Equilibrio entre Fases, Departamento de Fisica Aplicada, Facultad de Ciencias, Universidad de Valladolid, E-47071, Valladolid (Spain)

    2010-04-15

    (Solid + liquid) equilibrium (SLE) temperatures have been determined using a dynamic method for the systems (1H-imidazole, + benzene, + toluene, + hexane, or + cyclohexane; 1-methylimidazole + benzene, or + toluene, 2-methyl-1H-imidazole + benzene, + toluene, or + cyclohexane, and benzimidazole + benzene). In addition (liquid + liquid) equilibrium (LLE) temperatures have been obtained using a cloud point method for (1H-imidazole, + hexane, or + cyclohexane; 1-methylimidazole + toluene, and 2-methyl-1H-imidazole + cyclohexane). The measured systems show positive deviations from the Raoult's law, due to strong dipolar interactions between amine molecules related to the high dipole moment of imidazoles. On the other hand, DISQUAC interaction parameters for the contacts present in these solutions and for the amine/hydroxyl contacts in (1H-imidazole + 1-alkanol) mixtures have been determined. The model correctly represents the available data for the examined systems. Deviations between experimental and calculated SLE temperatures are similar to those obtained using the Wilson or NRTL equations, or the UNIQUAC association solution model. The quasichemical interaction parameters are the same for mixtures containing 1H-imidazole, 1-methylimidazole, or 2-methyl-1H-imidazole and hydrocarbons. This may be interpreted assuming that they are members of a homologous series. Benzimidazole behaves differently.

  16. Thermodynamics of organic mixtures containing amines. X. Phase equilibria for binary systems formed by imidazoles and hydrocarbons: Experimental data and modelling using DISQUAC

    International Nuclear Information System (INIS)

    Domanska, Urszula; Zawadzki, Maciej; Gonzalez, Juan Antonio

    2010-01-01

    (Solid + liquid) equilibrium (SLE) temperatures have been determined using a dynamic method for the systems (1H-imidazole, + benzene, + toluene, + hexane, or + cyclohexane; 1-methylimidazole + benzene, or + toluene, 2-methyl-1H-imidazole + benzene, + toluene, or + cyclohexane, and benzimidazole + benzene). In addition (liquid + liquid) equilibrium (LLE) temperatures have been obtained using a cloud point method for (1H-imidazole, + hexane, or + cyclohexane; 1-methylimidazole + toluene, and 2-methyl-1H-imidazole + cyclohexane). The measured systems show positive deviations from the Raoult's law, due to strong dipolar interactions between amine molecules related to the high dipole moment of imidazoles. On the other hand, DISQUAC interaction parameters for the contacts present in these solutions and for the amine/hydroxyl contacts in (1H-imidazole + 1-alkanol) mixtures have been determined. The model correctly represents the available data for the examined systems. Deviations between experimental and calculated SLE temperatures are similar to those obtained using the Wilson or NRTL equations, or the UNIQUAC association solution model. The quasichemical interaction parameters are the same for mixtures containing 1H-imidazole, 1-methylimidazole, or 2-methyl-1H-imidazole and hydrocarbons. This may be interpreted assuming that they are members of a homologous series. Benzimidazole behaves differently.

  17. Action des copolymères éthylène-acétate de vinyle sur la cinétique de nucléation et de croissance des n-paraffines n milieu hydrocarbure. Effect of Vinyl Ethyleneacetate Copolymers on the Nucleation and Growth Kinetics of N-Paraffins in a Hydrocarbon Medium.

    Directory of Open Access Journals (Sweden)

    Petinelli J. C.

    2006-11-01

    Full Text Available On cherche à mettre en évidence le mode d'action des copolymères éthylène-acétate de vinyle sur la cinétique de cristallisation des n-paraffines en milieu hydro-carbure. On s'attache, notamment, à déterminer si l'efficacité de ces additifs est peu ou prou influencée par le nombre de motifs non paraffiniques contenus dans leur chaîne.On décrit deux montages expérimentaux, l'un permettant d'étudier la cinétique de nucléation, l'autre la cinétique de croissance en solution. On observe, grâce à ces deux dispositifs, que la fréquence de germination tridimensionnelle et la vitesse de croissance des n-paraffines diminuent quand la concentration d'acétate de vinyle dans la solution augmente.On établit une relation entre le taux d'acétate de vinyle de la chaîne des copo-lymères et leur efficacité à retarder la cinétique de nucléation. La cinétique de croissance est discutée. On montre l'adsorption très forte de ces additifs sur les faces des cristaux et que le copolymère le plus riche en groupes acétate de vinyle est celui qui retarde le plus la cinétique de nucléation et de croissance des n- paraffines. An effort is made ta détermine how vinyl ethyleneacetate copolymers effect thé crystallization kinetics of n-paraffins in a hydrocarbon medium. In particular, research was done ta see if thé effectiveness of such additives is in thé least bit influenced by thé number of non-paraffinic patterns contained in their chain.Two expérimental assemblies are described, one for investigating nucléation kinetics, thé other growth kinetics in solution. These two devices are used ta observe thot thé theee-dimensional germination fréquency and growth rate of n-paraffins decrease as thé vinyl-acétate concentration in thé solution increases.A relationship is established between thé vinyl-acétate ratio of thé copolymer chain and thé effectiveness of thé copolymer in delaying thé nucléation kinetics. Growth kinetics

  18. Thermophysical properties and phase equilibria study of the binary systems {l_brace}N-hexylquinolinium bis(trifluoromethylsulfonyl)imide + aromatic hydrocarbons, or an alcohol{r_brace}

    Energy Technology Data Exchange (ETDEWEB)

    Domanska, Urszula, E-mail: ula@ch.pw.edu.p [Department of Physical Chemistry, Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw (Poland); Thermodynamic Research Unit, School of Chemical Engineering, University of KwaZulu-Natal, Howard College Campus, King George V Avenue, Durban 4001 (South Africa); Zawadzki, Maciej [Department of Physical Chemistry, Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw (Poland); Zwolinska, Magdalena [Department of Ergonomics, Laboratory of Thermal Loads, Central Institute for Labour Protection-National Research Institute, Czerniakowska 16, 00-701 Warsaw (Poland)

    2011-05-15

    Research highlights: We synthesized new ionic liquid, [HQuin][NTf{sub 2}] with low viscosity, and low density. We found high heat capacity, high enthalpy of melting and low melting temperature. HQuin][NTf{sub 2}] is proposed for possible use in the phase change materials (PCM). We examine phase equilibrium changes, SLE and LLE with hydrocarbons and alcohols. [HQuin][NTf{sub 2}] may be proposed as entrainer for the separation proceses. - Abstract: The new quinolinium ionic liquid has been synthesised as a continuation of our work with quinolinium-based ionic liquids (ILs). The work includes specific basic characterisation of synthesized compounds: N-hexylquinolinium bromide, [HQuin][Br] and N-hexylquinolinium bis{l_brace}(trifluoromethyl)sulfonyl{r_brace}imide [HQuin][NTf{sub 2}] by NMR spectra, elementary analysis and water content. The basic thermal properties of the pure [HQuin][NTf{sub 2}] i.e. melting and glass-transition temperatures, the enthalpy of fusion as well as heat capacity have been measured using a differential scanning microcalorimetry technique (DSC) and thermal analysis instrument (TA). Densities and viscosities were determined as a function of temperature. Phase equilibria for the binary systems: {l_brace}[HQuin][NTf{sub 2}]) + aromatic hydrocarbon (benzene, or toluene, or ethylbenzene, or n-propylbenzene), or an alcohol (1-butanol, or 1-hexanol, or 1-octanol, or 1-decanol){r_brace} have been determined at ambient pressure. A dynamic method was used over a broad range of mole fractions and temperatures from (270 to 320) K. For all the binary systems with benzene and alkylbenzenes, the eutectic diagrams were observed with immiscibility gap in the liquid phase beginning from (0.13 to 0.28) mole fraction of the IL with very high an upper critical solution temperature (UCST). For mixtures with alcohols, the complete miscibility was observed for 1-butanol and immiscibility with UCST in the liquid phase for the remaining alcohols. The typical

  19. Curing kinetics, mechanism and chemorheological behavior of methanol etherified amino/novolac epoxy systems

    Directory of Open Access Journals (Sweden)

    S. F. Zhao

    2014-02-01

    Full Text Available The curing kinetics and mechanism of epoxy novolac resin (DEN and modified epoxy novolac resin (MDEN with methanol etherified amino resin were studied by means of differential scanning calorimetry (DSC, Fourier transforminfrared (FT-IR spectroscopy and chemorheological analysis. Their kinetics parameters and models of the curing were examined utilizing isoconversional methods, Flynn-Wall-Ozawa and Friedman methods. For the DEN mixture, its average activation energy (Ea was 71.05 kJ/mol and the autocatalytic model was established to describe the curing reaction. The MDEN mixture exhibited three dominant curing processes, termed as reaction 1, reaction 2 and reaction 3; and their Ea were 70.05, 106.55 and 101.91 kJ/mol, respectively. Besides, Ea of reaction 1 was similar to that of DEN mixture, while Ea of reactions 2 and 3 corresponded to that of the etherification reaction between hydroxyl and epoxide group. Moreover, these three dominant reactions were nth order in nature. Furthermore, their curing mechanisms were proposed from the results of DSC and FTIR. The chemorheological behavior was also investigated to obtain better plastics products via optimizing the processing schedules.

  20. Kinetics of ion/molecule reactions in Xe++acteone system

    International Nuclear Information System (INIS)

    Vinogradov, P.S.; Misharin, A.S.

    2002-01-01

    A reaction of Xe+ ion with acetone and subsequent transformations of the product ions at a buffer gas pressure (He) of 1.1 Torr were studied by the flow reactor technique mass spectrometry. A kinetic scheme describing the evolution of the ionic composition has been determined. The rate constants of the key reactions involved in the scheme have been evaluated. A channel of the production of acetone cation in A state in a charge transfer reaction was observed. A production of slowly reacting isomer of the acetone cation in secondary reactions was detected. Its product in the reaction with acetone is the 'nonprotonated dimer'. The kinetics of the production of ternary ions - ( CH 3 CO + CH 3 COCH 3 )(m/e=101), CH 3 COCH 3 H + (m/e=59) as well as the production of ions of the fourth generation ( CH 3 CO + (CH 3 COCH 3 ) 2 ) (m/e=159) and (CH 3 COCH 3 ) 2 H + was observed. CH 3 CO + ion (m/e=43) was found as the main reaction product. The main pathways scheme of ionic transformations is shown. (nevyjel)

  1. Microbial degradation of polycyclic aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Volkering, F.; Breure, A.M.; Andel, J.G. van

    1992-01-01

    Polycyclic aromatic hydrocarbons (PAH) are hazardous compounds originating from oil, tar, creosote, or from incomplete combustion of fossil fuels. Application of biotechnological techniques for remediation of polluted soils from PAH demonstrated that the high molecular compounds are degraded very slowly, and that the residual concentration of PAH often is too high to permit application of the treated soil. Investigations were started to establish process parameters for optimal biodegradation of PAH. The aim is to achieve a relation between the physical properties of PAH and the biodegradation kinetics in different matrices, in order to identify applicability of biotechnological cleanup methods for waste streams and polluted soil. (orig.) [de

  2. Elementary kinetic modelling applied to solid oxide fuel cell pattern anodes and a direct flame fuel cell system

    Energy Technology Data Exchange (ETDEWEB)

    Vogler, Marcel

    2009-05-27

    In the course of this thesis a model for the prediction of polarisation characteristics of solid oxide fuel cells (SOFC) was developed. The model is based on an elementary kinetic description of electrochemical reactions and the fundamental conservation principles of mass and energy. The model allows to predict the current-voltage relation of an SOFC and offers ideal possibilities for model validation. The aim of this thesis is the identification of rate-limiting processes and the determination of the elementary pathway during charge transfer. The numerical simulation of experiments with model anodes allowed to identify a hydrogen transfer to be the most probable charge-transfer reaction and revealed the influence of diffusive transport. Applying the hydrogen oxidation kinetics to the direct flame fuel cell system (DFFC) showed that electrochemical oxidation of CO is possible based on the same mechanism. Based on the quantification of loss processes in the DFFC system, improvements on cell design, predicting 80% increase of efficiency, were proposed. (orig.)

  3. Mid-IR Absorption Cross-Section Measurements of Hydrocarbons

    KAUST Repository

    Alrefae, Majed Abdullah

    2013-05-01

    Laser diagnostics are fast-response, non-intrusive and species-specific tools perfectly applicable for studying combustion processes. Quantitative measurements of species concentration and temperature require spectroscopic data to be well-known at combustion-relevant conditions. Absorption cross-section is an important spectroscopic quantity and has direct relation to the species concentration. In this work, the absorption cross-sections of basic hydrocarbons are measured using Fourier Transform Infrared (FTIR) spectrometer, tunable Difference Frequency Generation laser and fixed wavelength helium-neon laser. The studied species are methane, methanol, acetylene, ethylene, ethane, ethanol, propylene, propane, 1-butene, n-butane, n-pentane, n-hexane, and n-heptane. The Fourier Transform Infrared (FTIR) spectrometer is used for the measurements of the absorption cross-sections and the integrated band intensities of the 13 hydrocarbons. The spectral region of the spectra is 2800 – 3400 cm-1 (2.9 – 3.6 μm) and the temperature range is 673 – 1100 K. These valuable data provide huge opportunities to select interference-free wavelengths for measuring time-histories of a specific species in a shock tube or other combustion systems. Such measurements can allow developing/improving chemical kinetics mechanisms by experimentally determining reaction rates. The Difference Frequency Generation (DFG) laser is a narrow line-width, tunable laser in the 3.35 – 3.53 μm wavelength region which contains strong absorption features for most hydrocarbons due to the fundamental C-H vibrating stretch. The absorption cross-sections of propylene are measured at seven different wavelengths using the DFG laser. The temperature range is 296 – 460 K which is reached using a Reflex Cell. The DFG laser is very attractive for kinetic studies in the shock tube because of its fast time response and the potential possibility of making species-specific measurements. The Fixed wavelength

  4. RELATING DAILY SOLAR ULTRAVIOLET RADIATION DOSE IN SALT MARSH-ASSOCIATED ESTUARINE SYSTEMS TO LABORATORY ASSESSMENTS OF PHOTOACTIVATED POLYCYCLIC AROMATIC HYDROCARBON TOXICITY

    Science.gov (United States)

    Estuaries of the southeastern United States not only serve an important nursery function but also are common repositories of polycyclic aromatic hydrocarbons (PAHs) derived from upland activities. Thus, these habitats may be at risk for PAHphototoxicity. To better characterize ...

  5. Hazardous Waste Management System - Identification and Listing of Hazardous Waste - Toxicity Characteristic - Hydrocarbon Recovery Operations - Federal Register Notice, April 2, 1991

    Science.gov (United States)

    Proposal to extend the compliance date for the Toxicity Characteristic until January 25, 1993 for produced groundwater from free phase hydrocarbon recovery operations at certain petroleum industry sites-namely, refineries, marketing terminals, bulk plants.

  6. Hazardous Waste Management System - Identification and Listing of Hazardous Waste - Toxicity Characteristic - Hydrocarbon Recovery Operations - Federal Register Notice, February 1, 1991

    Science.gov (United States)

    Extends the compliance date of the Toxicity Characteristic until January 25, 1991 for groundwater that is reinjected or reinfiltrated during existing hydrocarbon recovery operations at petroleum refineries, marketing terminals, and bulk plants.

  7. [A comparative study of biodegradation kinetics of biopolymer systems based on poly(3-hydroxybutyrate)].

    Science.gov (United States)

    Boskhomdzhiev, A P; Banartsev, A P; Makhina, T K; Myshkina, V L; Ivanov, E A; Bagrov, D V; Filatova, E V; Iordanskiĭ, A L; Bonartseva, G A

    2009-01-01

    The aim of this study was to evaluate and to compare of long-term kinetics curves of biodegradation of poly(3-hydroxybutyrate) (PHB), its copolymer poly(3-hydroxybutyrate-co-3-hydroxyvalerate), and PHB/polylactic acid blend. The total weight loss and the change of average viscosity molecular weight were used as an index of biodegradation degree. The rate of biodegradation was analyzed in vitro in presence oflipase and in vivo when the films were implanted in animal tissues. The morphology of PHB films surface was studied by atomic force microscopy technique. It was shown that biodegradation of PHB is occurred by means of as polymer hydrolysis, and as its enzymatic biodegradation. The obtained data can be used for development of medical devices on the base of PHB.

  8. Kinetics of the cells of the hematopoietic system in the course of postradiation regeneration. [Mice

    Energy Technology Data Exchange (ETDEWEB)

    Kondratenko, N F

    1975-01-01

    Twenty-four hours after sublethal whole-body irradiation (200 rad) of mice, only 4 percent of the stem cells were viable and continued to differentiate. Exponential growth of these cells started a day later and by week 2 the number was completely restored and stabilized. The kinetics of committed precursors of granulocytes and macrophages was different. Some 20 percent of these cells were viable 24 hours after irradiation and the granulocytes in particular continued to differentiate into mature cellular elements. The total number remained at the minimal level for a week, after which the logarithmic phase began, with complete recovery achieved toward the end of week 2 after irradiation. Thus, the restoration of hematopoiesis in sublethally irradiated mice is due primarily to the exponential growth of surviving stem cells in bone marrow.

  9. Kinetic Behaviors of a Competitive Population and Fitness System in Exchange-Driven Growth

    International Nuclear Information System (INIS)

    Lu Ke; Lin Zhenquan; Sun Yunfei

    2008-01-01

    We proposed an aggregation model of two species aggregates of fitness and population to study the interaction between the two species in their exchange-driven processes of the same species by introducing the monomer birth of fitness catalyzed by the population, where the fitness aggregates perform self-death process and the population aggregates perform self-birth process. The kinetic behaviors of the aggregate size distributions of the fitness and population were analyzed by the rate equation approach with their exchange rate kernel K 1 (k,j) = K 1 kj and K 2 (k,j) = K 2 kj, the fitness aggregate's self-death rate kernel J 1 (k) = J 1 k, population aggregate's self-birth rate kernel J 2 (k) = J 2 k and population-catalyzed fitness birth rate kernel I(k,j) = Ikj v . The kinetic behavior of the fitness was found depending crucially on the parameter v, which reflects the dependence of the population-catalyzed fitness birth rate on the size of the catalyst (population) aggregate. (i) In the v ≤ 0 case, the effect of catalyzed-birth of fitness is rather weak and the exchange-driven aggregation and self-death of the fitness dominate the process, and the fitness aggregate size distribution a k (t) does not have scale form. (ii) When v > 0, the effect of the population-catalyzed birth of fitness gets strong enough, and the catalyzed-birth and self-death of the fitness aggregates, together with the self-birth of the population aggregates dominate the evolution process of the fitness aggregates. The aggregate size distribution a k (t) approaches a generalized scaling form

  10. Process for desulfurizing hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    1937-04-12

    A process is described for the desulfurization of a mixture of hydrocarbons, and in particular hydrocarbons containing less than 7 atoms of carbon and sulfur compounds of the type of sulfur carbonyl, characterized by the fact that the mixture, preferably in the liquid phase, is brought in contact with a solution of caustic alkali, essentially anhydrous or preferably with a solution of alkali hydroxide in an organic hydroxy nonacid solvent, for example, an alcohol, or with an alkaline alcoholate, under conditions suitable to the formation of hydrogen sulfide which produces a hydrocarbon mixture free from sulfur compounds of the sulfur carbonyl type but containing hydrogen sulfide, and that it is treated, following mixing, having beem submitted to the first treatment, by means of aqueous alkaline hydroxide to eliminate the hydrogen sulfide.

  11. Heparin kinetics

    International Nuclear Information System (INIS)

    Swart, C.A.M. de.

    1983-01-01

    The author has studied the kinetics of heparin and heparin fractions after intravenous administration in humans and in this thesis the results of this study are reported. Basic knowledge about the physico-chemical properties of heparin and its interactions with proteins resulting in anticoagulant and lipolytic effects are discussed in a review (chapter II), which also comprises some clinical aspects of heparin therapy. In chapter III the kinetics of the anticoagulant effect are described after intravenous administration of five commercial heparin preparations. A mathematical model is presented that fits best to these kinetics. The kinetics of the anticoagulant and lipolytic effects after intravenous injection of various 35 S-radiolabelled heparin fractions and their relationship with the disappearance of the radiolabel are described in chapter IV. Chapter V gives a description of the kinetics of two radiolabels after injection of in vitro formed complexes consisting of purified, 125 I-radiolabelled antithrombin III and various 35 S-radiolabelled heparin fractions. (Auth.)

  12. The origin of high hydrocarbon groundwater in shallow Triassic aquifer in Northwest Guizhou, China.

    Science.gov (United States)

    Liu, Shan; Qi, Shihua; Luo, Zhaohui; Liu, Fangzhi; Ding, Yang; Huang, Huanfang; Chen, Zhihua; Cheng, Shenggao

    2018-02-01

    Original high hydrocarbon groundwater represents a kind of groundwater in which hydrocarbon concentration exceeds 0.05 mg/L. The original high hydrocarbon will significantly reduce the environment capacity of hydrocarbon and lead environmental problems. For the past 5 years, we have carried out for a long-term monitoring of groundwater in shallow Triassic aquifer in Northwest Guizhou, China. We found the concentration of petroleum hydrocarbon was always above 0.05 mg/L. The low-level anthropogenic contamination cannot produce high hydrocarbon groundwater in the area. By using hydrocarbon potential, geochemistry and biomarker characteristic in rocks and shallow groundwater, we carried out a comprehensive study in Dalongjing (DLJ) groundwater system to determine the hydrocarbon source. We found a simplex hydrogeology setting, high-level water-rock-hydrocarbon interaction and obviously original hydrocarbon groundwater in DLJ system. The concentration of petroleum hydrocarbon in shallow aquifer was found to increase with the strong water-rock interaction. Higher hydrocarbon potential was found in the upper of Guanling formation (T 2 g 3 ) and upper of Yongningzhen formation (T 1 yn 4 ). Heavily saturated carbon was observed from shallow groundwater, which presented similar distribution to those from rocks, especially from the deeper groundwater. These results indicated that the high concentrations of original hydrocarbon in groundwater could be due to the hydrocarbon release from corrosion and extraction out of strata over time.

  13. Bio-remediation of hydrocarbons in coastal regions; Bioremediation des hydrocarbures en milieu cotier

    Energy Technology Data Exchange (ETDEWEB)

    Guyoneaud, R. [IBEAS, LEM - Lab. d' Ecologie Moleculaire - JE 159, 64 - Pau (France)

    2001-07-01

    Coasts are exposed to chronic or accidental pollutions by hydrocarbons. The aim of this study is to show the importance of the microbial layers (stratified sedimentary systems) in the biodegradation of the hydrocarbons. (A.L.B.)

  14. Fully integrated analysis of reactor kinetics, thermalhydraulics and the reactor control system in the MAPLE-X10 research reactor

    International Nuclear Information System (INIS)

    Shim, S.Y.; Carlson, P.A.; Baxter, D.K.

    1992-01-01

    A prototype research reactor, designated MAPLE-X10 (Multipurpose Applied Physics Lattice Experimental - X 10MW), is currently being built at AECL's Chalk River Laboratories. The CATHENA (Canadian Algorithm for Thermalhydraulic Network Analysis) two-fluid code was used in the safety analysis of the reactor to determine the adequacy of core cooling during postulated reactivity and loss-of-forced-flow transients. The system responses to a postulated transient are predicted including the feedback between reactor kinetics, thermalhydrauilcs and the reactor control systems. This paper describes the MAPLE-X10 reactor and the modelling methodology used. Sample simulations of postulated loss-of-heat-sink and loss-of-regulation transients are presented. (author)

  15. Determination of volumetric gas-liquid mass transfer coefficient of carbon monoxide in a batch cultivation system using kinetic simulations.

    Science.gov (United States)

    Jang, Nulee; Yasin, Muhammad; Park, Shinyoung; Lovitt, Robert W; Chang, In Seop

    2017-09-01

    A mathematical model of microbial kinetics was introduced to predict the overall volumetric gas-liquid mass transfer coefficient (k L a) of carbon monoxide (CO) in a batch cultivation system. The cell concentration (X), acetate concentration (C ace ), headspace gas (N co and [Formula: see text] ), dissolved CO concentration in the fermentation medium (C co ), and mass transfer rate (R) were simulated using a variety of k L a values. The simulated results showed excellent agreement with the experimental data for a k L a of 13/hr. The C co values decreased with increase in cultivation times, whereas the maximum mass transfer rate was achieved at the mid-log phase due to vigorous microbial CO consumption rate higher than R. The model suggested in this study may be applied to a variety of microbial systems involving gaseous substrates. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. Validation of the kinetic model for predicting the composition of chlorinated water discharged from power plant cooling systems

    International Nuclear Information System (INIS)

    Lietzke, M.H.

    1977-01-01

    The purpose of this report is to present a validation of a previously described kinetic model which was developed to predict the composition of chlorinated fresh water discharged from power plant cooling systems. The model was programmed in two versions: as a stand-alone program and as a part of a unified transport model developed from consistent mathematical models to simulate the dispersion of heated water and radioisotopic and chemical effluents from power plant discharges. The results of testing the model using analytical data taken during operation of the once-through cooling system of the Quad Cities Nuclear Station are described. Calculations are also presented on the Three Mile Island Nuclear Station which uses cooling towers

  17. Exploration of near the origin and the asymptotic behaviors of the Kohn-Sham kinetic energy density for two-dimensional quantum dot systems with parabolic confinement

    Science.gov (United States)

    Jana, Subrata; Samal, Prasanjit

    2018-01-01

    The behaviors of the positive definite Kohn-Sham kinetic energy density near the origin and at the asymptotic region play a major role in designing meta-generalized gradient approximations (meta-GGAs) for exchange in low-dimensional quantum systems. It is shown that near the origin of the parabolic quantum dot, the Kohn-Sham kinetic energy differs from its von Weizsäcker counterpart due to the p orbital contributions, whereas in the asymptotic region, the difference between the above two kinetic energy densities goes as ˜ρ/(r ) r2 . All these behaviors have been explored using the two-dimensional isotropic quantum harmonic oscillator as a test case. Several meta-GGA ingredients are then studied by making use of the above findings. Also, the asymptotic conditions for the exchange energy density and the potential at the meta-GGA level are proposed using the corresponding behaviors of the two kinetic energy densities.

  18. Recovery of hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    1941-02-10

    A process is disclosed for recovery of hydrocarbon oils, especially lubricating oils or diesel oils, through pressure hydrogenation of distillation, extraction of hydrogenation products from coal or coaly materials or from oils such as mineral oils or tars in liquid phase by use in a reaction vessel of fixed-bed catalysts, characterized in that as starting material is employed material which has been freed of asphaltic and resinous material by hydrogenation refining, vacuum-steam distillation, treatment with hydrogen-rich hydrocarbons (hydroforming), or sulfuric acid.

  19. Associations Between β-Amyloid Kinetics and the β-Amyloid Diurnal Pattern in the Central Nervous System.

    Science.gov (United States)

    Lucey, Brendan P; Mawuenyega, Kwasi G; Patterson, Bruce W; Elbert, Donald L; Ovod, Vitaliy; Kasten, Tom; Morris, John C; Bateman, Randall J

    2017-02-01

    Recent studies found that the concentration of amyloid-β (Aβ) fluctuates with the sleep-wake cycle. Although the amplitude of this day/night pattern attenuates with age and amyloid deposition, to our knowledge, the association of Aβ kinetics (ie, production, turnover, and clearance) with this oscillation has not been studied. To determine the association between Aβ kinetics, age, amyloid levels, and the Aβ day/night pattern in humans. We measured Aβ concentrations and kinetics in 77 adults aged 60 to 87 years with and without amyloid deposition by a novel precise mass spectrometry method at the Washington University School of Medicine in St Louis, Missouri. We compared findings of 2 orthogonal methods, enzyme-linked immunosorbent assay and mass spectrometry, to validate the day/night patterns and determine more precise estimates of the cosinor parameters. In vivo labeling of central nervous system proteins with stable isotopically labeled leucine was performed, and kinetics of Aβ40 and Aβ42 were measured. Serial cerebrospinal fluid collection via indwelling lumbar catheter over 36 to 48 hours before, during, and after in vivo labeling, with a 9-hour primed constant infusion of 13C6-leucine. The amplitude, linear increase, and other cosinor measures of each participant's serial cerebrospinal fluid Aβ concentrations and Aβ turnover rates. Of the 77 participants studied, 46 (59.7%) were men, and the mean (range) age was 72.6 (60.4-87.7) years. Day/night patterns in Aβ concentrations were more sharply defined by the precise mass spectrometry method than by enzyme-linked immunosorbent assay (mean difference of SD of residuals: Aβ40, -7.42 pM; P effects of age and amyloid on Aβ42 amplitude at least partially affect each other. Production and turnover rates suggest that day/night Aβ patterns are modulated by both production and clearance mechanisms active in sleep-wake cycles and that amyloid deposition may impair normal circadian patterns. These findings

  20. Intrinsic noise analyzer: a software package for the exploration of stochastic biochemical kinetics using the system size expansion.

    Science.gov (United States)

    Thomas, Philipp; Matuschek, Hannes; Grima, Ramon

    2012-01-01

    The accepted stochastic descriptions of biochemical dynamics under well-mixed conditions are given by the Chemical Master Equation and the Stochastic Simulation Algorithm, which are equivalent. The latter is a Monte-Carlo method, which, despite enjoying broad availability in a large number of existing software packages, is computationally expensive due to the huge amounts of ensemble averaging required for obtaining accurate statistical information. The former is a set of coupled differential-difference equations for the probability of the system being in any one of the possible mesoscopic states; these equations are typically computationally intractable because of the inherently large state space. Here we introduce the software package intrinsic Noise Analyzer (iNA), which allows for systematic analysis of stochastic biochemical kinetics by means of van Kampen's system size expansion of the Chemical Master Equation. iNA is platform independent and supports the popular SBML format natively. The present implementation is the first to adopt a complementary approach that combines state-of-the-art analysis tools using the computer algebra system Ginac with traditional methods of stochastic simulation. iNA integrates two approximation methods based on the system size expansion, the Linear Noise Approximation and effective mesoscopic rate equations, which to-date have not been available to non-expert users, into an easy-to-use graphical user interface. In particular, the present methods allow for quick approximate analysis of time-dependent mean concentrations, variances, covariances and correlations coefficients, which typically outperforms stochastic simulations. These analytical tools are complemented by automated multi-core stochastic simulations with direct statistical evaluation and visualization. We showcase iNA's performance by using it to explore the stochastic properties of cooperative and non-cooperative enzyme kinetics and a gene network associated with

  1. Quantum tunneling observed without its characteristic large kinetic isotope effects.

    Science.gov (United States)

    Hama, Tetsuya; Ueta, Hirokazu; Kouchi, Akira; Watanabe, Naoki

    2015-06-16

    Classical transition-state theory is fundamental to describing chemical kinetics; however, quantum tunneling is also important in explaining the unexpectedly large reaction efficiencies observed in many chemical systems. Tunneling is often indicated by anomalously large kinetic isotope effects (KIEs), because a particle's ability to tunnel decreases significantly with its increasing mass. Here we experimentally demonstrate that cold hydrogen (H) and deuterium (D) atoms can add to solid benzene by tunneling; however, the observed H/D KIE was very small (1-1.5) despite the large intrinsic H/D KIE of tunneling (≳ 100). This strong reduction is due to the chemical kinetics being controlled not by tunneling but by the surface diffusion of the H/D atoms, a process not greatly affected by the isotope type. Because tunneling need not be accompanied by a large KIE in surface and interfacial chemical systems, it might be overlooked in other systems such as aerosols or enzymes. Our results suggest that surface tunneling reactions on interstellar dust may contribute to the deuteration of interstellar aromatic and aliphatic hydrocarbons, which could represent a major source of the deuterium enrichment observed in carbonaceous meteorites and interplanetary dust particles. These findings could improve our understanding of interstellar physicochemical processes, including those during the formation of the solar system.

  2. Corrosion mechanisms of zirconium alloys - study of the initial oxidation kinetics and of the mechanical behaviour of the metal/oxide system

    International Nuclear Information System (INIS)

    Parise, M.

    1996-12-01

    Nuclear fuel claddings are made of zirconium alloys. The conditions of use lead the cladding oxidize outside. The so-formed layers behaves like a thermal barrier and prevents from using oxidized claddings with an oxide thickness larger than 100 μm. The oxidation kinetic is approximately cubic for oxide thicknesses smaller than about 2μm, linear beyond. A kinetic model has been proposed which estimates the post-transition growth rate from the kinetic parameters of the pre-transition state and morphological features of post-transition layers. This work aims at providing the necessary elements to validate this model and studying the layers around the kinetic transition, in order to determine whether the oxidation mechanisms before and after the transition are similar. Thicknesses of the 50 - 500 nm range of the oxide layers are measured by an optical method; pre-transition kinetics are thus precisely determined. The effect of the composition, the thermal treatment and the presence of oxygen in solid solution is studied. The morphological and crystallographic study of the layers show that they exhibit a lot of similarities before and after the kinetic transition. The results concerning the kinetic aspects and the morphology of the post-transition layers point out that the proposed model leads to realistic post-transition growth rates. Furthermore, the kinetic transition corresponds to the appearance of cracks in the oxide layer. The mechanical behaviour of the metal/oxide system has been modelled at different scales. When the specific behaviours of the metal and the oxide are taken into account together with the interface geometry, radial stresses appear, which are high enough to locally open cracks. The appearance and localization of cracks depend on both the interface geometry and the stress distribution in the metal/oxide system. (author)

  3. GIS (Geographic Information Systems) based calculation on hydrocarbon generated volume: Amazon Basin example; O uso de SIG no calculo de hidrocarbonetos gerados: exemplo da Bacia do Amazonas

    Energy Technology Data Exchange (ETDEWEB)

    Pedrinha, Saulo; Simoes, Leonardo; Goncalves, Felix T.T.; Carneiro, Jason T.G. [Petroleum Geoscience Technology Ltda. (PGT), Rio de Janeiro, RJ (Brazil)

    2008-07-01

    The calculation of the volume of hydrocarbons generated from a particular source rock a sedimentary basin provides numerical data that help to better describe the petroleum system, and evaluate its potential. Among the various methodologies developed for calculating the volume of oil there is a proposal by Schmoker (1994), which has the advantage to take into account the occurrence of the source rock area in the basin, and the spatial variations in the main geological parameters. Using the tools of a GIS, through the manipulation of georeferred maps, it is possible to calculate the volume of oil generated in a way that would be virtually impossible by using punctual data, only. Even the discretiation maps in minors areas allows, via attribute table in the GIS, the application of a Monte Carlo simulation, which allows to incorporate all the uncertainties related to the input data in the calculation, obtaining distributions of volumes associated with various parts of the final map being integrated throughout the basin. Isopac and maturation maps (Gonzaga et al., 2000), along with TOC data from Barreirinha formation, Amazon Basin, have been scanned and georeferred and, once in the GIS database, were treated in order to spatially distribute the geological properties of the source rock. Then, such maps were handled in accordance with Schmoker (1994) method, leading to a map of mass and distribution of oil generated in the basin at the regional scale. (author)

  4. Occurrence of polycyclic aromatic hydrocarbons in surface sediments of a highly urbanized river system with special reference to energy consumption patterns

    International Nuclear Information System (INIS)

    Zhang Kai; Wang Jizhong; Liang Bo; Zeng, Eddy Y.

    2011-01-01

    Sediment samples collected from downstream of the Dongjiang River, a highly urbanized river network within the Pearl River Delta of South China, were analyzed for 28 polycyclic aromatic hydrocarbons (PAHs). Total concentrations of 28 PAHs, 16 priority PAHs designated by the United States Environmental Protection Agency (USEPA) and the seven carcinogenic PAHs classified by the USEPA ranged from 480 to 4600, 100 to 3400 and 10 to 1700 ng/g dry weight, respectively. Principal component analysis-based stepwise multivariate linear regression showed that sediment PAHs were predominantly derived from coal combustion, refined fossil fuel combustion and oil spills, accounting for 37%, 32% and 23%, respectively, of the total loading. The levels of sediment PAHs remained steady from 2002 to 2008, during which fossil fuel consumption had doubled, probably reflecting efforts to control PAH emissions from fossil fuel combustion. Finally, use of natural gas and liquefied petroleum gas in automobiles should be encouraged to improve environmental quality. - Highlights: → PAHs in sediment showed similar input sources as those in air particles. → Combustion of fossil fuel is the predominant source for sediment PAHs. → Local efforts to control PAHs emissions from fossil fuel combustion were effective. → Promotion of natural gas and liquefied petroleum gas can reduce emissions of PAHs. - Occurrence of PAHs in surface sediments from a highly urbanized river system is assessed in relation to energy consumption patterns.

  5. Degradation kinetics and mechanism of trace nitrobenzene by granular activated carbon enhanced microwave/hydrogen peroxide system.

    Science.gov (United States)

    Tan, Dina; Zeng, Honghu; Liu, Jie; Yu, Xiaozhang; Liang, Yanpeng; Lu, Lanjing

    2013-07-01

    The kinetics of the degradation of trace nitrobenzene (NB) by a granular activated carbon (GAC) enhanced microwave (MW)/hydrogen peroxide (H202) system was studied. Effects of pH, NB initial concentration and tert-butyl alcohol on the removal efficiency were examined. It was found that the reaction rate fits well to first-order reaction kinetics in the MW/GAC/H202 process. Moreover, GAC greatly enhanced the degradation rate of NB in water. Under a given condition (MW power 300 W, H202 dosage 10 mg/L, pH 6.85 and temperature (60 +/- 5)degrees C), the degradation rate of NB was 0.05214 min-1when 4 g/L GAC was added. In general, alkaline pH was better for NB degradation; however, the optimum pH was 8.0 in the tested pH value range of 4.0-12.0. At H202 dosage of 10 mg/L and GAC dosage of 4 g/L, the removal of NB was decreased with increasing initial concentrations of NB, indicating that a low initial concentration was beneficial for the degradation of NB. These results indicated that the MW/GAC/H202 process was effective for trace NB degradation in water. Gas chromatography-mass spectrometry analysis indicated that a hydroxyl radical addition reaction and dehydrogenation reaction enhanced NB degradation.

  6. Second Order Kinetic Modeling of Headspace Solid Phase Microextraction of Flavors Released from Selected Food Model Systems

    Directory of Open Access Journals (Sweden)

    Jiyuan Zhang

    2014-09-01

    Full Text Available The application of headspace-solid phase microextraction (HS-SPME has been widely used in various fields as a simple and versatile method, yet challenging in quantification. In order to improve the reproducibility in quantification, a mathematical model with its root in psychological modeling and chemical reactor modeling was developed, describing the kinetic behavior of aroma active compounds extracted by SPME from two different food model systems, i.e., a semi-solid food and a liquid food. The model accounted for both adsorption and release of the analytes from SPME fiber, which occurred simultaneously but were counter-directed. The model had four parameters and their estimated values were found to be more reproducible than the direct measurement of the compounds themselves by instrumental analysis. With the relative standard deviations (RSD of each parameter less than 5% and root mean square error (RMSE less than 0.15, the model was proved to be a robust one in estimating the release of a wide range of low molecular weight acetates at three environmental temperatures i.e., 30, 40 and 60 °C. More insights of SPME behavior regarding the small molecule analytes were also obtained through the kinetic parameters and the model itself.

  7. Remediation of total petroleum hydrocarbons using combined in-vessel composting ‎and oxidation by activated persulfate

    Directory of Open Access Journals (Sweden)

    A.R. Asgari

    2017-12-01

    Full Text Available This study was investigated the efficiency of activated persulfate and ‎in-vessel composting for removal of total petroleum hydrocarbons. ‎Remediation by activated persulfate with ferrous sulfate as pre-treatment was done at batch system. In the chemical oxidation, various variables including persulfate concentrations (10-3000 mg/g as waste, pH (3-7, ferrous sulfate (0.5-4 mg/g as wasteand temperature (20-60°C were studied. In the biological system, premature compost was added as an amendment. The filter cake to compost ratio were 1:0 (as control and 1:5 to 15 (as dry basis. C: N: P ratio and moisture content were 100:5:1 and 45-60%, respectively. The results showed that acidic pH (pH=3 had high efficiency for the removal of total petroleum hydrocarbons by activated persulfate. Temperature had the significant effect during the persulfate oxidation. When ferrous sulfate was used as an activator for degradation at acidic condition and 60°C, removal efficiency increased to 47.32%. The results of biological process showed that the minimum total petroleum hydrocarbons removal in all reactors was 62 percent. The maximum and minimum removal efficiency was obtained at 1:5 (69.46% and 1:10 (62.42% mixing ratios, respectively. Kinetic study showed that second order kinetic model (R2>0.81 shows the best agreement with the experimental data and the rate of TPH degradation at low mixing ratio (1:3 was faster than high mixing ratio (1:15. Therefore, according to the results, in-vessel composting after pre-treatment by activated persulfate is suggested as an efficient process for degradation of total petroleum hydrocarbons.

  8. Optimal Bayesian Experimental Design for Combustion Kinetics

    KAUST Repository

    Huan, Xun

    2011-01-04

    Experimental diagnostics play an essential role in the development and refinement of chemical kinetic models, whether for the combustion of common complex hydrocarbons or of emerging alternative fuels. Questions of experimental design—e.g., which variables or species to interrogate, at what resolution and under what conditions—are extremely important in this context, particularly when experimental resources are limited. This paper attempts to answer such questions in a rigorous and systematic way. We propose a Bayesian framework for optimal experimental design with nonlinear simulation-based models. While the framework is broadly applicable, we use it to infer rate parameters in a combustion system with detailed kinetics. The framework introduces a utility function that reflects the expected information gain from a particular experiment. Straightforward evaluation (and maximization) of this utility function requires Monte Carlo sampling, which is infeasible with computationally intensive models. Instead, we construct a polynomial surrogate for the dependence of experimental observables on model parameters and design conditions, with the help of dimension-adaptive sparse quadrature. Results demonstrate the efficiency and accuracy of the surrogate, as well as the considerable effectiveness of the experimental design framework in choosing informative experimental conditions.

  9. Bioremediation of soils containing petroleum hydrocarbons, chlorinated phenols, and polycyclic aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Seech, A.; Burwell, S.; Marvan, I.

    1994-01-01

    Bench-scale treatability investigations, pilot-scale and full-scale bioremediation projects were conducted to evaluate Daramend trademark bioremediation of soils containing petroleum hydrocarbons, heavy oils, paraffins, chlorinated phenols and polycyclic aromatic hydrocarbons (PAHs). Bench-scale investigations were conducted using glass microcosms. Pilot-scale and full-scale demonstrations were conducted at industrial sites and included treatment of excavated soils and sediments in on-site cells constructed using synthetic liners and covered by steel/polyethylene structures as well as in-situ treatment. A total of approximately 5,000 tons of soil was treated. The soil treatment included organic soil amendments, specialized tillage/aeration apparatus, and strict control of soil moisture. The amendments are composed of naturally-occurring organic materials prepared to soil-specific particle size distributions, nutrient profiles, and nutrient-release kinetics. Bench-scale work indicated that in refinery soil containing high concentrations of heavy oils, extractable hydrocarbon concentrations could be rapidly reduced to industrial clean-up criteria, and that the hydrocarbons were fully mineralized with release of CO 2

  10. Comparison of Four Nitrate Removal Kinetic Models in Two Distinct Wetland Restoration Mesocosm Systems

    Directory of Open Access Journals (Sweden)

    Tiffany L. Messer

    2017-07-01

    Full Text Available The objective of the study was to determine the kinetic model that best fit observed nitrate removal rates at the mesocosm scale in order to determine ideal loading rates for two future wetland restorations slated to receive pulse flow agricultural drainage water. Four nitrate removal models were investigated: zero order, first order decay, efficiency loss, and Monod. Wetland mesocosms were constructed using the primary soil type (in triplicate at each of the future wetland restoration sites. Eighteen mesocosm experiments were conducted over two years across seasons. Simulated drainage water was loaded into wetlands as batches, with target nitrate-N levels typically observed in agricultural drainage water (between 2.5 and 10 mg L−1. Nitrate-N removal observed during the experiments provided the basis for calibration and validation of the models. When the predictive strength of each of the four models was assessed, results indicated that the efficiency loss and first order decay models provided the strongest agreement between predicted and measured NO3-N removal rates, and the fit between the two models were comparable. Since the predictive power of these two models were similar, the less complicated first order decay model appeared to be the best choice in predicting appropriate loading rates for the future full-scale wetland restorations.

  11. Phenomenology of tremor-like signals observed over hydrocarbon reservoirs

    NARCIS (Netherlands)

    Dangel, S.; Schaepman, M.E.; Stoll, E.P.; Carniel, R.; Barzandji, O.; Rode, E.D.; Singer, J.M.

    2003-01-01

    We have observed narrow-band, low-frequency (1.5-4 Hz, amplitude 0.01-10 mum/s) tremor signals on the surface over hydrocarbon reservoirs (oil, gas and water multiphase fluid systems in porous media) at currently 15 sites worldwide. These 'hydrocarbon tremors' possess remarkably similar spectral and

  12. Catalyst for hydrocarbon conversion

    International Nuclear Information System (INIS)

    Duhaut, P.; Miquel, J.

    1975-01-01

    A description is given for a catalyst and process for hydrocarbon conversions, e.g., reforming. The catalyst contains an alumina carrier, platinum, iridium, at least one metal selected from uranium, vanadium, and gallium, and optionally halogen in the form of metal halide of one of the aforesaid components. (U.S.)

  13. Kinetic analysis of enzyme systems with suicide substrate in the presence of a reversible competitive inhibitor, tested by simulated progress curves.

    Science.gov (United States)

    Moruno-Dávila, M A; Garrido-del Solo, C; García-Moreno, M; Havsteen, B H; Garcia-Sevilla, F; Garcia-Cánovas, F; Varón, R

    2001-02-01

    The use of suicide substrates remains a very important and useful method in enzymology for studying enzyme mechanisms and designing potential drugs. Suicide substrates act as modified substrates for the target enzymes and bind to the active site. Therefore the presence of a competitive reversible inhibitor decreases the rate of substrate-induced inactivation and protects the enzyme from this inactivation. This lowering on the inactivation rate has evident physiological advantages, since it allows the easy acquisition of experimental data and facilitates kinetic data analysis by providing another variable (inhibitor concentration). However despite the importance of the simultaneous action of a suicide substrate and a competitive reversible inhibition, to date no corresponding kinetic analysis has been carried out. Therefore we present a general kinetic analysis of a Michaelis-Menten reaction mechanism with double inhibition caused by both, a suicide substrate and a competitive reversible inhibitor. We assume rapid equilibrium of the reversible reaction steps involved, while the time course equations for the reaction product have been derived with the assumption of a limiting enzyme. The goodness of the analytical solutions has been tested by comparison with the simulated curves obtained by numerical integration. A kinetic data analysis to determine the corresponding kinetic parameters from the time progress curve of the product is suggested. In conclusion, we present a complete kinetic analysis of an enzyme reaction mechanism as described above in an attempt to fill a gap in the theoretical treatment of this type of system.

  14. Polycyclic aromatic hydrocarbons (PAH) in superficial water from a tropical estuarine system: Distribution, seasonal variations, sources and ecological risk assessment.

    Science.gov (United States)

    Santos, Ewerton; Souza, Michel R R; Vilela Junior, Antônio R; Soares, Laiane S; Frena, Morgana; Alexandre, Marcelo R

    2018-02-01

    This study aimed to evaluate the PAH distribution, sources, seasonal variations and ecological risk assessment in superficial water from the Japaratuba River, Brazil. PAH concentrations ranged from 4 to 119ngL -1 . It was observed that the PAH total concentrations and profiles showed significant differences when comparing the dry season (summer) with the rainy season (winter). Furthermore, most of the PAH originated from pyrogenic sources in the winter, whereas a mixture of sources was observed in the summer. PAH concentration levels found in this study were considered lower than those obtained in other estuarine systems. Ecological risk assessment was determined for individual PAH, based on the risk quotient (RQ) to evaluate the risk of aquatic biota's exposure to PAH. Results suggested that the Japaratuba River has achieved a moderate degree of ecological risk for high molecular weight, showing the importance of identifying these carcinogenic and mutagenic compounds in aquatic systems. Copyright © 2017 Elsevier Ltd. All rights reserved.

  15. Radiation chemistry of hydrocarbon and alkyl halide systems. Interim progress report, June 1, 1984-July 31, 1985

    International Nuclear Information System (INIS)

    Hanrahan, R.J.

    1985-01-01

    Experimental work in progress includes studies of gas phase OH radical reaction using argon sensitized pulse radiolysis and studies of the radiolytic oxidation of butane. Work on interpretation of results, writing, and revision of manuscripts is still in progress on several investigations including studies of the photochemistry and mass spectrometry of CF3I-CH3I mixtures; an investigation of the radiolytic oxidation of propane; and certain parts of the study of radiolytic reactions in the H 2 - CO system. Work on experimental aspects of the radiolytic oxidation of butane nearing completion. It appears that the results do parallel the propane system as we anticipated, with major products being the C 4 alcohols and olefins

  16. Risk and integrity management system for PETRONAS Gas Berhad's gas and liquid hydrocarbon pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Khalid, Tuan Hj. Ahmad Nadzri bin; Nasir, Osman; Napiah, Mohd Nazmi Mohd Ali [PETRONAS Gas Berhad, Johor (Malaysia); Choong, Evelyn

    2005-07-01

    PETRONAS Gas Berhad (PGB), Malaysia currently operates one of Southeast Asia's largest onshore pipeline systems comprising more than 2,500 km of large diameter high pressure gas and liquid transmission, supply and lateral pipelines. Recognizing the value of a risk based approach to pipeline integrity management program, in 2002 PGB implemented a customized and fully integrated Risk and Integrity Management System (RIMS) which included software modules for: data management; semi-quantitative risk assessment; risk control cost benefit analyses; defect assessment; corrosion growth modeling; and reporting. As part of this project, a benchmarking study performed jointly with the contractor, PGB's pipeline integrity programs were also compared with a broad group of international pipeline operators. This study compared the relative ranking position of PGB pre- and post implementation of RIMS. It demonstrated that implementation of RIMS places PGB in a select group of first quartile international pipeline operators, with respect to the implementation of pipeline integrity management best practice. This paper describes the functionalities of RIMS system and how it has benefited PGB, which have been realized to date from its implementation. (author)

  17. Numerical modelling of the work of a pulsed aerosol system for fire fighting at the ignitions of liquid hydrocarbon fuels

    Science.gov (United States)

    Rychkov, A. D.

    2009-06-01

    The work of a pulsed aerosol system for fire fighting is modelled, which is designed for fire fighting at oil storages and at the spills of oil products, whose vapors were modelled by gaseous methane. The system represents a device for separate installation, which consists of a charge of solid propellant (the gas generator) and a container with fine-dispersed powder of the flame-damper substance. The methane combustion was described by a one-stage gross-reaction, the influence of the concentration of vapors of the flame-damper substance on the combustion process was taken into account by reducing the pre-exponent factor in the Arrhenius law and was described by an empirical dependence. The computational experiment showed that the application of the pulsed aerosol system for fire fighting ensures an efficient transport of fine-dispersed aerosol particles of the flame-damping substance and its forming vapors to the combustion zone; the concentration of particles ensures the damping of the heat source.

  18. Sensitivity analysis of large system of chemical kinetic parameters for engine combustion simulation

    Energy Technology Data Exchange (ETDEWEB)

    Hsieh, H; Sanz-Argent, J; Petitpas, G; Havstad, M; Flowers, D

    2012-04-19

    In this study, the authors applied the state-of-the art sensitivity methods to downselect system parameters from 4000+ to 8, (23000+ -> 4000+ -> 84 -> 8). This analysis procedure paves the way for future works: (1) calibrate the system response using existed experimental observations, and (2) predict future experiment results, using the calibrated system.

  19. Convergence of hepcidin deficiency, systemic iron overloading, heme accumulation, and REV-ERBα/β activation in aryl hydrocarbon receptor-elicited hepatotoxicity

    Energy Technology Data Exchange (ETDEWEB)

    Fader, Kelly A.; Nault, Rance [Department of Biochemistry & Molecular Biology, Michigan State University, East Lansing, MI 48824 (United States); Institute for Integrative Toxicology, Michigan State University, East Lansing, MI 48824 (United States); Kirby, Mathew P.; Markous, Gena [Department of Biochemistry & Molecular Biology, Michigan State University, East Lansing, MI 48824 (United States); Matthews, Jason [Department of Nutrition, Institute of Basic Medical Sciences, University of Oslo, Oslo 0316 (Norway); Zacharewski, Timothy R., E-mail: tzachare@msu.edu [Department of Biochemistry & Molecular Biology, Michigan State University, East Lansing, MI 48824 (United States); Institute for Integrative Toxicology, Michigan State University, East Lansing, MI 48824 (United States)

    2017-04-15

    Persistent aryl hydrocarbon receptor (AhR) agonists elicit dose-dependent hepatic lipid accumulation, oxidative stress, inflammation, and fibrosis in mice. Iron (Fe) promotes AhR-mediated oxidative stress by catalyzing reactive oxygen species (ROS) production. To further characterize the role of Fe in AhR-mediated hepatotoxicity, male C57BL/6 mice were orally gavaged with sesame oil vehicle or 0.01–30 μg/kg 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) every 4 days for 28 days. Duodenal epithelial and hepatic RNA-Seq data were integrated with hepatic AhR ChIP-Seq, capillary electrophoresis protein measurements, and clinical chemistry analyses. TCDD dose-dependently repressed hepatic expression of hepcidin (Hamp and Hamp2), the master regulator of systemic Fe homeostasis, resulting in a 2.6-fold increase in serum Fe with accumulating Fe spilling into urine. Total hepatic Fe levels were negligibly increased while transferrin saturation remained unchanged. Furthermore, TCDD elicited dose-dependent gene expression changes in heme biosynthesis including the induction of aminolevulinic acid synthase 1 (Alas1) and repression of uroporphyrinogen decarboxylase (Urod), leading to a 50% increase in hepatic hemin and a 13.2-fold increase in total urinary porphyrins. Consistent with this heme accumulation, differential gene expression suggests that heme activated BACH1 and REV-ERBα/β, causing induction of heme oxygenase 1 (Hmox1) and repression of fatty acid biosynthesis, respectively. Collectively, these results suggest that Hamp repression, Fe accumulation, and increased heme levels converge to promote oxidative stress and the progression of TCDD-elicited hepatotoxicity. - Highlights: • TCDD represses hepatic hepcidin expression, leading to systemic iron overloading. • Dysregulation of heme biosynthesis is consistent with heme and porphyrin accumulation. • Heme-activated REV-ERBα/β repress circadian-regulated hepatic lipid metabolism. • Disruption of iron

  20. Experimental and Kinetic Study on Lignin Depolymerization in Water/Formic Acid System

    Directory of Open Access Journals (Sweden)

    Qi Wang

    2017-10-01

    Full Text Available Microwave-assisted depolymerization of black-liquor lignin in formic acid was studied, concentrating on the yield of liquid fractions as bio-oil 1 (mainly aromatic monomers and bio-oil 2 (mainly aromatic oligomers and the distribution of the specific compositions. Bio-oil 1 (9.69% and bio-oil 2 (54.39% achieved their maximum yields under 160 °C with the reaction time of 30 min. The chemical compositions of bio-oil 1 and bio-oil 2 were respectively identified by means of Gas Chromatography-Mass Spectrometer (GC-MS and Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS. Ethanone, 1-(4-hydroxy-3-methoxyphenyl and Ethanone, 1-(4-hydrox-3,5-dimethoxyphenyl were evidenced to be the two prominent compounds in bio-oil 1. Production of aromatic oligomers with the molecular weight of 328, 342, 358, 378, 394, 424 and 454 identified by MALDI-TOF MS was substantially tuned with the reaction temperature. A two-separate-stage kinetic model was proposed to describe the acidic solvolysis of lignin assisted by microwave heating, where the first stage is dominated by the depolyerization of lignin to monomers and oligomers with the activation energy of 40.27 kJ·mol−1, and the second stage with the activation energy of 49.18 kJ·mol−1 is mainly ascribed to the repolymerization of first-stage produced compounds.

  1. Evaporite-hydrocarbon relationships: The case of the Laminite-reef-evaporite system in the Messinian of the Mediterranean area

    Energy Technology Data Exchange (ETDEWEB)

    Rouchy, J.M. (Museum d' Histoire Naturelle, Paris (France))

    1988-08-01

    The peripheral Messinian evaporitic basins of the Mediterranean frequently show the association between pre-evaporitic laminites, carbonate complexes (red algae, corals, and stromatolites), and evaporites which constitute a sedimentary system, including potential source rocks, reservoirs, and a cover. The pre-evaporitic laminites (mainly diatomites and carbonates) characterize two different highly productive hydrodynamic systems which follow one another: (1) coastal upwellings during lower Messinian high sea level (transgressive phase), and (2) restriction (semiclosed or land-locked basins) related to closure from the Atlantic and subsequent lower sea level (regressive phase). Preservation of the organic matter results from periodic water stratification: local O{sub 2} minimum intermediary layer and anoxic bottom conditions mainly related to hypersalinity. Extensive carbonate complexes overlie the shores and the high areas - biogenic buildups (mainly red algae and poorly diversified corals) and bioclastic accumulations locally overlapped by a stromatolitic blanket. Diagenesis and dissolution-karstification during drawdown periods (hypersaline episodes) increase the primary porosity. The evaporites constitute an efficient cover. One major property of hypersaline environments is their high primary production whose traces are identified in the Messinian series as organic-rich layers (marine or hypersaline-adapted flora and fauna) and calcareous or gypsified stromatolites. Stratified waters or reducing conditions in the pore waters favor preservation of organic matter. The evaporitic conditions greatly influence the reservoir properties, increasing porosity or destroying it by interstitial precipitation.

  2. Mathematics of Periodic Tables for Benzenoid Hydrocarbons.

    Science.gov (United States)

    Dias, Jerry Ray

    2007-01-01

    The upper and lower bounds for invariants of polyhex systems based on the Harary and Harborth inequalities are studied. It is shown that these invariants are uniquely correlated by the Periodic Table for Benzenoid Hydrocarbons. A modified periodic table for total resonant sextet (TRS) benzenoids based on the invariants of Ds and r(empty) is presented; Ds is the number of disconnections among the empty rings for fused TRS benzenoid hydrocarbons. This work represents a contribution toward deciphering the topological information content of benzenoid formulas.

  3. Plasma-catalytic reforming of liquid hydrocarbons

    International Nuclear Information System (INIS)

    Nedybaliuk, O.A.; Chernyak, V.Ya; Kolgan, V.V.; Iukhymenko, V.V.; Solomenko, O.V.; Fedirchyk, I.I.; Martysh, E.V.; Demchina, V.P.; Klochok, N.V.; Dragnev, S.V.

    2015-01-01

    The series of experiments studying the plasma-catalytic reforming of liquid hydrocarbons was carried out. The dynamic plasma-liquid system based on a low-power rotating gliding arc with solid electrodes was used for the investigation of liquid hydrocarbons reforming process. Conversion was done via partial oxidation. A part of oxidant flow was activated by the discharge. Synthesis-gas composition was analysed by means of mass-spectrometry and gas-chromatography. A standard boiler, which operates on natural gas and LPG, was used for the burning of synthesis-gas

  4. Cell-Free Protein Synthesis Enhancement from Real-Time NMR Metabolite Kinetics: Redirecting Energy Fluxes in Hybrid RRL Systems.

    Science.gov (United States)

    Panthu, Baptiste; Ohlmann, Théophile; Perrier, Johan; Schlattner, Uwe; Jalinot, Pierre; Elena-Herrmann, Bénédicte; Rautureau, Gilles J P

    2018-01-19

    A counterintuitive cell-free protein synthesis (CFPS) strategy, based on reducing the ribosomal fraction in rabbit reticulocyte lysate (RRL), triggers the development of hybrid systems composed of RRL ribosome-free supernatant complemented with ribosomes from different mammalian cell-types. Hybrid RRL systems maintain translational properties of the original ribosome cell types, and deliver protein expression levels similar to RRL. Here, we show that persistent ribosome-associated metabolic activity consuming ATP is a major obstacle for maximal protein yield. We provide a detailed picture of hybrid CFPS systems energetic metabolism based on real-time nuclear magnetic resonance (NMR) investigation of metabolites kinetics. We demonstrate that protein synthesis capacity has an upper limit at native ribosome concentration and that lower amounts of the ribosomal fraction optimize energy fluxes toward protein translation, consequently increasing CFPS yield. These results provide a rationalized strategy for further mammalian CFPS developments and reveal the potential of real-time NMR metabolism phenotyping for optimization of cell-free protein expression systems.

  5. Gas-kinetic analysis of multicomponent vacuum systems by the method of equivalent surfaces

    International Nuclear Information System (INIS)

    Ershov, B.D.; Sakaganskii, G.L.

    A method is proposed for the analysis of molecular flows in complicated vacuum systems. Essentially, it involves the transposition of solutions for a number of elemental structural components. The basic analytic relationships and tables are given and the method is illustrated by analyzing a specific system

  6. Optimizing electrode-attached redox-peptide systems for kinetic characterization of protease action on immobilized substrates. Observation of dissimilar behavior of trypsin and thrombin enzymes.

    Science.gov (United States)

    Anne, Agnès; Chovin, Arnaud; Demaille, Christophe

    2012-06-12

    In this work, we experimentally address the issue of optimizing gold electrode attached ferrocene (Fc)-peptide systems for kinetic measurements of protease action. Considering human α-thrombin and bovine trypsin as proteases of interest, we show that the recurring problem of incomplete cleavage of the peptide layer by these enzymes can be solved by using ultraflat template-stripped gold, instead of polished polycrystalline gold, as the Fc-peptide bearing electrode material. We describe how these fragile surfaces can be mounted in a rotating disk configuration so that enzyme mass transfer no longer limits the overall measured cleavage kinetics. Finally, we demonstrate that, once the system has been optimized, in situ real-time cyclic voltammetry monitoring of the protease action can yield high-quality kinetic data, showing no sign of interfering effects. The cleavage progress curves then closely match the Langmuirian variation expected for a kinetically controlled surface process. Global fit of the progress curves yield accurate values of the peptide cleavage rate for both trypsin and thrombin. It is shown that, whereas trypsin action on the surface-attached peptide closely follows Michaelis-Menten kinetics, thrombin displays a specific and unexpected behavior characterized by a nearly enzyme-concentration-independent cleavage rate in the subnanomolar enzyme concentration range. The reason for this behavior has still to be clarified, but its occurrence may limit the sensitivity of thrombin sensors based on Fc-peptide layers.

  7. Methodology for applying monitored natural attenuation to petroleum hydrocarbon-contaminated ground-water systems with examples from South Carolina

    Science.gov (United States)

    Chapelle, Frank H.; Robertson, John F.; Landmeyer, James E.; Bradley, Paul M.

    2000-01-01

    Natural attenuation processes such as dispersion, advection, and biogradation serve to decrease concentrations of disssolved contaminants as they are transported in all ground-water systems.  However, the efficiency of these natural attenuation processes and the degree to which they help attain remediation goals, varies considerably from site to site.  This report provides a methodology for quantifying various natural attenuation mechanisms.  This methodology incorporates information on (1) concentrations of contaminants in space and/or time; (2) ambient reduction/oxidation (redox) conditions; (3) rates and directions of ground-water flow; (4) rates of contaminant biodegradation; and (5) demographic considerations, such as the presence of nearby receptor exposure points or property boundaries.  This document outlines the hydrologic, geochemical, and biologic data needed to assess the efficiency of natural attenuation, provides a screening tool for making preliminary assessments, and provides examples of how to determine when natural attenuation can be a useful component of site remediation at leaking underground storage tank sites.

  8. Hydrocarbon toxicity: an analysis of AAPCC TESS data.

    Science.gov (United States)

    Cobaugh, Daniel J; Seger, Donna L; Krenzelok, Edward P

    2007-01-01

    Human hydrocarbon exposures have the potential to cause significant morbidity and mortality. To determine which hydrocarbons were associated with the most severe adverse outcomes, human exposure data reported to American poison information centers were analyzed. Outcome data for single-substance, hydrocarbon exposures reported to the American Association of Poison Control Centers Toxic Exposure Surveillance System from 1994 through 2003 were analyzed. Only cases with definitive medical outcomes were included. Analyses were stratified by five age groups: 59 years. Hazard factors were determined by calculating the sum of the major effects and fatalities for each hydrocarbon category and dividing this by the total number of exposures for that category. To normalize the data, the overall rate of major effects and deaths for each age group was assigned hazard factor value of 1. Hydrocarbon categories with a HF of > or = 1.5 were included in the final analyses. Estimated rates of major effect and fatal outcomes (outcomes/1000 people) were also calculated. 318,939 exposures were analyzed. Exposures to benzene, toluene/xylene, halogenated hydrocarbons, kerosene and lamp oil resulted in the highest hazard factor values. These data demonstrate that hydrocarbons that are absorbed systemically and those with low viscosities are associated with higher hazard factors. The risks associated with hydrocarbons often implicated in abuse by older children and adolescents are also confirmed.

  9. Effects of high-pressure process on kinetics of leaching oil from soybean powder using hexane in batch systems.

    Science.gov (United States)

    Uhm, Joo Tae; Yoon, Won Byong

    2011-08-01

    Mass transfer models of leaching oil from soybean (Glycine max) flour with hexane after high-pressure process (HPP) treatment were developed. High pressure (450 MPa) was applied to the soybean flour (mean diameter of flour particle: 365 μm) for 30 min before leaching the oil components in the solvent. The ratio of solvent (volume, mL) to soybean flour (mass, g), such as 1:10 and 1:20, was employed to characterize the effect of solvent ratio on the leaching rate in the batch type of extraction process. Ultraviolet absorbance at 300 nm was used to monitor the extraction rate. Saturation solubility (C(AS)) was determined to be 21.73 kg/m³. The mass transfer coefficients (k) were determined based on the 1st- and 2nd-order kinetic models. The 2nd kinetic model showed better fit. The HPP treatment showed a higher extraction rate and yield compared to the control, while the amount of solvent did not affect the extraction rate and yield. The scanning electron microscope showed that HPP-treated soybean particles included more pores than the untreated. The pores observed in the HPP-treated soybean flours might help increase the mass transfer rate of solvent and solute in the solid matrix. High-pressure processing can help increase the extraction rate of oil from the soybean flour operated in batch systems. The conventional solid to solvent ratio (1:20) used to extract oil composition from the plant seed did not help increase the amount of oil extracted from the soybean flour. © 2011 Institute of Food Technologists®

  10. Kinetics of formation of the A-15 phase in the Nb--Al--Ge system

    International Nuclear Information System (INIS)

    Kannatey-Asibu, E. Jr.

    1977-05-01

    A study has been made of the time and temperature dependence of the growth of the A-15 phase and its grains in the Nb-Al-Ge system. In addition, changes in the microstructure and composition of the A-15 phase have been studied using an EDAX analysis. The data obtained have been plotted and compared with theory. The results have been used to explain the variations in the superconducting properties of this system as observed in earlier work. Consequently, areas for further study towards optimizing the superconducting parameters of this system have been proposed

  11. Distilling hydrocarbons, etc

    Energy Technology Data Exchange (ETDEWEB)

    Turner, C

    1917-11-23

    In the fractional or destructive distillation of hydrocarbon oils or other liquids, the pressure in the still is raised and lowered alternately. The still is closed to raise the pressure, and is opened to lower the pressure rapidly solely by expansion of the vapors. The operation is effected without intermittent cooling, except such as may occur during the lowering of the pressure. In distilling hydrocarbon oil, pressure steam is blown into the oil until the pressure reaches 5 lb/in./sup 2/. The vapor outlet is then opened until the pressure falls to 2 lb/in./sup 2/, whereupon the vapor outlet is closed and steam is again admitted. The operation is continued until the steam, which is of 20 lb pressure, no longer effects distillation; after this stage, superheated steam is used.

  12. Distilling hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    Tausz, J

    1924-07-16

    Hydrocarbon oils such as petroleum, shale oils, lignite or coal tar oils are purified by distilling them and collecting the distillate in fractions within narrow limits so that all the impurities are contained in one or more of the narrow fractions. In distilling ligroin obtained by destructive distillation of brown coal, it is found that the coloring and resin-forming constituents are contained in the fractions distilling over at 62 to 86/sup 0/C and 108/sup 0/C. The ligroin is purified, therefore, by distillating in an apparatus provided with an efficient dephlegmotor and removing these two fractions. The distillation may be carried out wholly or in part under reduced pressure, and fractions separated under ordinary pressure may be subsequently distilled under reduced pressure. The hydrocarbons may be first separated into fractions over wider limits and the separate fractions be subjected to a further fractional distillation.

  13. Intrinsic noise analyzer: a software package for the exploration of stochastic biochemical kinetics using the system size expansion.

    Directory of Open Access Journals (Sweden)

    Philipp Thomas

    Full Text Available The accepted stochastic descriptions of biochemical dynamics under well-mixed conditions are given by the Chemical Master Equation and the Stochastic Simulation Algorithm, which are equivalent. The latter is a Monte-Carlo method, which, despite enjoying broad availability in a large number of existing software packages, is computationally expensive due to the huge amounts of ensemble averaging required for obtaining accurate statistical information. The former is a set of coupled differential-difference equations for the probability of the system being in any one of the possible mesoscopic states; these equations are typically computationally intractable because of the inherently large state space. Here we introduce the software package intrinsic Noise Analyzer (iNA, which allows for systematic analysis of stochastic biochemical kinetics by means of van Kampen's system size expansion of the Chemical Master Equation. iNA is platform independent and supports the popular SBML format natively. The present implementation is the first to adopt a complementary approach that combines state-of-the-art analysis tools using the computer algebra system Ginac with traditional methods of stochastic simulation. iNA integrates two approximation methods based on the system size expansion, the Linear Noise Approximation and effective mesoscopic rate equations, which to-date have not been available to non-expert users, into an easy-to-use graphical user interface. In particular, the present methods allow for quick approximate analysis of time-dependent mean concentrations, variances, covariances and correlations coefficients, which typically outperforms stochastic simulations. These analytical tools are complemented by automated multi-core stochastic simulations with direct statistical evaluation and visualization. We showcase iNA's performance by using it to explore the stochastic properties of cooperative and non-cooperative enzyme kinetics and a gene network

  14. Intrinsic Noise Analyzer: A Software Package for the Exploration of Stochastic Biochemical Kinetics Using the System Size Expansion

    Science.gov (United States)

    Grima, Ramon

    2012-01-01

    The accepted stochastic descriptions of biochemical dynamics under well-mixed conditions are given by the Chemical Master Equation and the Stochastic Simulation Algorithm, which are equivalent. The latter is a Monte-Carlo method, which, despite enjoying broad availability in a large number of existing software packages, is computationally expensive due to the huge amounts of ensemble averaging required for obtaining accurate statistical information. The former is a set of coupled differential-difference equations for the probability of the system being in any one of the possible mesoscopic states; these equations are typically computationally intractable because of the inherently large state space. Here we introduce the software package intrinsic Noise Analyzer (iNA), which allows for systematic analysis of stochastic biochemical kinetics by means of van Kampen’s system size expansion of the Chemical Master Equation. iNA is platform independent and supports the popular SBML format natively. The present implementation is the first to adopt a complementary approach that combines state-of-the-art analysis tools using the computer algebra system Ginac with traditional methods of stochastic simulation. iNA integrates two approximation methods based on the system size expansion, the Linear Noise Approximation and effective mesoscopic rate equations, which to-date have not been available to non-expert users, into an easy-to-use graphical user interface. In particular, the present methods allow for quick approximate analysis of time-dependent mean concentrations, variances, covariances and correlations coefficients, which typically outperforms stochastic simulations. These analytical tools are complemented by automated multi-core stochastic simulations with direct statistical evaluation and visualization. We showcase iNA’s performance by using it to explore the stochastic properties of cooperative and non-cooperative enzyme kinetics and a gene network associated with

  15. Nuclear explosives and hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, P

    1971-10-01

    A nuclear explosive 12 in. in diam and producing very little tritium is feasible in France. Such a device would be well adapted for contained nuclear explosions set off for the purpose of hydrocarbon storage or stimulation. The different aspects of setting off the explosive are reviewed. In the particular case of gas storage in a nuclear cavity in granite, it is demonstrated that the dose of irradiation received is extremely small. (18 refs.)

  16. Treatment of hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    1936-02-22

    A process is described for refining a mixture of liquid hydrocarbons containing harmful substances, this process permitting the operation, which consists in treating the liquid mixture at a temperature higher than 200/sup 0/C with a solid catalyst of phosphoric acid, consisting of phosphoric acid deposited on a solid support of the type of metallurgical coke, for a time sufficient to convert the harmful components to inoffensive substances.

  17. Cracking hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    Seigle, A A.F.M.

    1922-12-20

    Hydrocarbon oils such as petroleum, peat, shale, or lignite oils, heavy tars, resin oils, naphthalene oils, etc., are vaporized by being fed from a tank through a preheater to the lower part of a vertical annular retort heated by a flame projected down the central cavity from a burner. The oil vapors rise through annular passages formed by disks, on which are placed chips of copper, iron, aluminum, etc., to act as catalysts.

  18. High boiling point hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Pier, M

    1929-04-29

    A process is given for the production of hydrocarbons of high boiling point, such as lubricating oils, from bituminous substances, such as varieties of coal, shale, or other solid distillable carbonaceous materials. The process consists of treating the initial materials with organic solvents and then subjecting the products extracted from the initial materials, preferably directly, to a reducing treatment in respect to temperature, pressure, and time. The reduction treatment is performed by means of hydrogen under pressure.

  19. Direct hydrocarbon fuel cells

    Science.gov (United States)

    Barnett, Scott A.; Lai, Tammy; Liu, Jiang

    2010-05-04

    The direct electrochemical oxidation of hydrocarbons in solid oxide fuel cells, to generate greater power densities at lower temperatures without carbon deposition. The performance obtained is comparable to that of fuel cells used for hydrogen, and is achieved by using novel anode composites at low operating temperatures. Such solid oxide fuel cells, regardless of fuel source or operation, can be configured advantageously using the structural geometries of this invention.

  20. The electrostatic atomization of hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Kelly, A J

    1984-06-01

    Exploitation of the unique and potentially beneficial characteristics of electrostatic atomization in combustion systems has foundered upon the inability of two element, diode devices to operate at flow rates that are larger than a fraction of a millilitre per second. This restriction has been attributed to the high innate electrical resistivity of hydrocarbon fuels. A discussion of proposed electrostatic fuel atomizers and their limitations is presented from the vantage of a recently developed theory of electrostatic spraying. Comparison of theory and experiment reveals the existence of a 'constant of spraying' and the presence of an operational regime in which low charge density droplet development is possible. Operation with hydrocarbons in this regime occurs when the mean droplet size is greater than or equal to 10 ..mu..m and fluid viscosity is below about 250 cp. The resulting spray has a mean droplet size that is functionally dependent only upon the free charge density level of the fluid. Consequently there is no theoretical impediment to the attainment of high flow rate electrostatic atomization with fluids of arbitrary conductivity. Implementation is achieved by a general class of electrostatic spray devices which employ direct charge injection. The Spray Triode, a submerged field-emission electron gun, represents a particularly simple member of this new class of atomizer. Among the Spray Triode operational characteristics to be discussed is insensitivity to spray fluid properties and flow rate.

  1. Escherichia coli as a potential hydrocarbon conversion microorganism. Oxidation of aliphatic and aromatic compounds by recombinant E. coli in two-liquid phase (aqueous-organic) systems

    NARCIS (Netherlands)

    Favre-Bulle, Olivier

    1992-01-01

    The increased interest in the study of hydrocarbon utilizing microorganisms in recent years has been stimulated by the possibility of using their monooxygenases in the selective oxidation of aliphatic and aromatic compounds. As an example, long chain (>C16) n-alkanes are converted to dicarboxylic

  2. Kinetics and

    Directory of Open Access Journals (Sweden)

    Mojtaba Ahmadi

    2016-11-01

    Full Text Available The aqueous degradation of Reactive Yellow 84 (RY84 by potassium peroxydisulfate (K2S2O8 has been studied in laboratory scale experiments. The effect of the initial concentrations of potassium peroxydisulfate and RY84, pH and temperature on RY84 degradation were also examined. Experimental data were analyzed using first and second-order kinetics. The degradation kinetics of RY84 of the potassium peroxydisulfate process followed the second-order reaction kinetics. These rate constants have an extreme values similar to of 9.493 mM−1min−1 at a peroxydisulfate dose of 4 mmol/L. Thermodynamic parameters such as activation (Ea and Gibbs free energy (ΔG° were also evaluated. The negative value of ΔGo and Ea shows the spontaneous reaction natural conditions and exothermic nature.

  3. Drying Kinetics Analysis of Seaweed Gracilaria changii using Solar Drying System

    International Nuclear Information System (INIS)

    Mohd Yusof Othman; Ahmad Fudholi; Kamaruzzaman Sopian; Mohd Hafidz Ruslan; Muhammad Yahya

    2012-01-01

    A solar drying system suitable for agricultural and marine products have been designed, constructed and evaluated under Malaysia climatic conditions. The solar drying system has been constructed and evaluated for the drying of seaweed Gracilaria changii. The initial and final moisture content of seaweed are 95 % (wet basis) and 10 % (product basis), respectively. The drying time was about 7 hours at average solar radiation of 593 W/ m 2 and air flow rate of 0.0613 kg/ s. Three different thin-layer drying models were compared with experimental data, during the drying of seaweed using the solar drying system at average temperature and humidity of about 50 degree Celsius and 20 %, respectively. The one with highest R2 and lowest MBE and RMSE was selected to better estimate the drying curves. The study showed that the Page model was better fit to drying seaweed compared to the other models (Newton model, and Henderson and Pabis model). (author)

  4. Kinetic studies on the transesterification of sunflower oil with 1-butanol catalyzed by Rhizomucor miehei lipase in a biphasic aqueous-organic system

    NARCIS (Netherlands)

    Ilmi, Miftahul; Hommes, Arne; Winkelman, Jozef; Hidayat, C.; Heeres, Hero

    2016-01-01

    The kinetics of sunflower oil transesterification with 1-butanol using a homogeneous lipase (Rhizomucor miehei) in an aqueous-organic biphasic system were studied in a stirred batch reactor set-up. An initial screening study was performed to optimize relevant process conditions (enzyme

  5. Bioremediation of Petroleum Hydrocarbon Contaminated Sites

    Energy Technology Data Exchange (ETDEWEB)

    Fallgren, Paul

    2009-03-30

    environmental parameters on bioremediation is important in designing a bioremediation system to reduce petroleum hydrocarbon concentrations in impacted soils.

  6. Granulocyte kinetics

    International Nuclear Information System (INIS)

    Peters, A.M.; Lavender, J.P.; Saverymuttu, S.H.

    1985-01-01

    By using density gradient materials enriched with autologous plasma, the authors have been able to isolate granulocutes from other cellular elements and label them with In-111 without separation from a plasma environment. The kinetic behavior of these cells suggests that phenomena attributed to granulocyte activation are greatly reduced by this labeling. Here, they review their study of granulocyte kinetics in health and disease in hope of quantifying sites of margination and identifying principal sites of destruction. The three principle headings of the paper are distribution, life-span, and destruction

  7. Solid oxide fuel cell (SOFC) integrated power plants : System and kinetic studies

    NARCIS (Netherlands)

    Thallam Thattai, A.

    2017-01-01

    Increased climate change over past decades has resulted in an increase in the average temperature (also called global warming) of Earth’s climate system. At the recent Paris climate conference (COP21) in 2015, 195 countries in the world have agreed upon a stringent plan to limit global warming below

  8. Self-Consistent System of Equations for a Kinetic Description of the Low-Pressure Discharges Accounting for the Nonlocal and Collisionless Electron Dynamics

    International Nuclear Information System (INIS)

    Kaganovich, Igor D.; Polomarov, Oleg

    2003-01-01

    In low-pressure discharges, when the electron mean free path is larger or comparable with the discharge length, the electron dynamics is essentially non-local. Moreover, the electron energy distribution function (EEDF) deviates considerably from a Maxwellian. Therefore, an accurate kinetic description of the low-pressure discharges requires knowledge of the non-local conductivity operator and calculation of the non-Maxwellian EEDF. The previous treatments made use of simplifying assumptions: a uniform density profile and a Maxwellian EEDF. In the present study a self-consistent system of equations for the kinetic description of nonlocal, non-uniform, nearly collisionless plasmas of low-pressure discharges is derived. It consists of the nonlocal conductivity operator and the averaged kinetic equation for calculation of the non-Maxwellian EEDF. The importance of accounting for the non-uniform plasma density profile on both the current density profile and the EEDF is demonstrated

  9. Analysis of a general circulation model. II - Distribution of kinetic energy in the South Atlantic and Kuroshio/Oyashio systems

    Science.gov (United States)

    Garraffo, Zulema; Garzoli, Silvia L.; Haxby, William; Olson, Donald

    1992-01-01

    It was found (Garzoli et al., 1992) that the general circulation model of Semtner and Chervin (1992) provides accurate descriptions of the Brazil-Malvinas and the Kuroshio/Oyashio confluence systems, except for the fact that the model prediction shows less variability than that present in observations. This paper investigates the problem of model variability by analyzing the mean and the eddy kinetic energy from the model and comparing the values with the Geosat altimeter observations for the South Atlantic Ocean and for the Kuroshio system. It is found that, while the model shows transient eddy activity in the areas that overlap the Geosat observations, the energy level of the model transient motions is considerably smaller following an arch along the bottom topography. The same was found from the comparisons made with values obtained from FGGE and surface drifters. It is suggested that the model is poorly resolving instabilities in the confluence front, and is not resolving other transients appearing in regions of marked topography.

  10. RAMONA-4B a computer code with three-dimensional neutron kinetics for BWR and SBWR system transient - user's manual

    International Nuclear Information System (INIS)

    Rohatgi, U.S.; Cheng, H.S.; Khan, H.J.; Mallen, A.N.; Neymotin, L.Y.

    1998-03-01

    This document is the User's Manual for the Boiling Water Reactor (BWR), and Simplified Boiling Water Reactor (SBWR) systems transient code RAMONA-4B. The code uses a three-dimensional neutron-kinetics model coupled with a multichannel, nonequilibrium, drift-flux, phase-flow model of the thermal hydraulics of the reactor vessel. The code is designed to analyze a wide spectrum of BWR core and system transients. Chapter 1 gives an overview of the code's capabilities and limitations; Chapter 2 describes the code's structure, lists major subroutines, and discusses the computer requirements. Chapter 3 is on code, auxillary codes, and instructions for running RAMONA-4B on Sun SPARC and IBM Workstations. Chapter 4 contains component descriptions and detailed card-by-card input instructions. Chapter 5 provides samples of the tabulated output for the steady-state and transient calculations and discusses the plotting procedures for the steady-state and transient calculations. Three appendices contain important user and programmer information: lists of plot variables (Appendix A) listings of input deck for sample problem (Appendix B), and a description of the plotting program PAD (Appendix C). 24 refs., 18 figs., 11 tabs

  11. A DMS kinetic study of the boron oxides vapor in the combustion front of SHS system Mo + B

    International Nuclear Information System (INIS)

    Kashireninov, O.E.; Yuranov, I.A.

    1994-01-01

    The distribution of the boron oxides vapor in the combustion wave of the SHS system Mo + B has been studied by the dynamic mass spectrometry technique (DMS) to test the thermodynamically based hypothesis for the key role of gas-phase transport in solid-state combustion. The molecular beam sampling of the gases over the burning tablet was performed by a stationary probe cone from the moving combustion wave. Ion currents of boron oxides were recorded at 10--20 ms intervals that afforded spatial resolution of 0.1--0.2 mm. It has been found that the distribution of the boron oxides vapor pressure along the combustion wave corresponds to the known zones of preheating, reaction, and postcombustion. The rapid increase of B 2 O 2 pressure takes place in the preheating zone as a result of the reaction B(s) + B 2 O 3 (g) = B 2 O 2 (g). Boron oxides are not observed over the reaction zone because of their complete decay in the reaction with Mo(s) to form molybdenum boride(s). The appearance The appearance of boron oxide vapors over the postcombustion zone is due to the evaporation of B 2 O 3 (l). The effective kinetic parameters are estimated from the data obtained. The results show that solid-state combustion of the Mo + B system proceeds predominantly through formation of gas-phase boron oxides

  12. Comparative studies of H absorption/desorption kinetics and evaporation of liquid lithium in different porous systems and free surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Oyarzabal, E., E-mail: eider.oyarzabal@externos.ciemat.es [Ass. Euratom-Ciemat, Av. Complutense 22, 28040 Madrid (Spain); Calle de Guzmán el Bueno, 133, 28003 Madrid (Spain); Martín-Rojo, A.B. [Ass. Euratom-Ciemat, Av. Complutense 22, 28040 Madrid (Spain); Calle de Guzmán el Bueno, 133, 28003 Madrid (Spain); Tabarés, F.L. [Ass. Euratom-Ciemat, Av. Complutense 22, 28040 Madrid (Spain)

    2017-04-15

    In the present work, a study of the two most relevant properties of liquid lithium with respect to its suitability as a Plasma Facing Component (PFC) element in a Reactor, namely, its evaporation rate and the uptake/release of hydrogen, eventually leading to the formation of a stable hydride was carried out for Li in different porous systems and Li as a free surface. These properties were characterized in a temperature range of 200–500 °C. The H{sub 2} absorption kinetics at low pressure (<1torr) were measured for the different studied porous systems and then outgassed. Particle balance and chemical analysis were used to assess the retention properties of lithium for each case. Thermal Desorption Spectroscopy (TDS) analysis was used for the assessment of possible hydride formation. Evaporation rates were determined by using a Quartz Microbalance (QMB). A significant reduction of the evaporation rate was observed when Li was trapped in a microstructure of sintered stainless steel with a characteristic porous size of 5–10 μm. On the other hand, a negligible rate of H{sub 2} uptake was found at temperatures above 500 °C in all cases.

  13. THE EFFECTS OF HALIDE MODIFIERS ON THE SORPTION KINETICS OF THE LI-MG-N-H SYSTEM

    Energy Technology Data Exchange (ETDEWEB)

    Anton, D.; Gray, J.; Price, C.; Lascola, R.

    2011-07-20

    The effects of different transition metal halides (TiCl{sub 3}, VCl{sub 3}, ScCl{sub 3} and NiCl{sub 2}) on the sorption properties of the 1:1 molar ratio of LiNH{sub 2} to MgH{sub 2} are investigated. The modified mixtures were found to contain LiNH{sub 2}, MgH{sub 2} and LiCl. TGA results showed that the hydrogen desorption temperature was reduced with the modifier addition in this order: TiCl{sub 3} > ScCl{sub 3} > VCl{sub 3} > NiCL{sub 2}. Ammonia release was not significantly reduced resulting in a weight loss greater than the theoretical hydrogen storage capacity of the material. The isothermal sorption kinetics of the modified systems showed little improvement after the first dehydrogenation cycle over the unmodified system but showed drastic improvement in rehydrogenation cycles. X-ray diffraction and Raman spectroscopy identified the cycled material to be composed of LiH, MgH{sub 2}, Mg(NH{sub 2}){sub 2} and Mg{sub 3}N{sub 2}.

  14. THE AFFECTS OF HALIDE MODIFIERS ON THE SORPTION KINETICS OF THE LI-MG-N-H SYSTEM

    Energy Technology Data Exchange (ETDEWEB)

    Erdy, C.; Gray, J.; Lascola, R.; Anton, D.

    2010-12-16

    In this present work, the affects of different transition metal halides (TiCl{sub 3}, VCl{sub 3}, ScCl{sub 3} and NiCl{sub 2}) on the sorption properties of the 1:1 molar ratio of LiNH{sub 2} to MgH{sub 2} are investigated. The modified mixtures were found to contain LiNH{sub 2}, MgH{sub 2} and LiCl. TGA results showed that the hydrogen desorption temperature was reduced with the modifier addition in this order: TiCl{sub 3}>ScCl{sub 3}>VCl{sub 3}>NiCl{sub 2}. Ammonia release was not significantly reduced resulting in a weight loss greater than the theoretical hydrogen storage capacity of the material. The isothermal sorption kinetics of the modified systems showed little improvement after the first dehydrogenation cycle over the unmodified system but showed drastic improvement in rehydrogenation cycles. XRD and Raman spectroscopy identified the cycled material to be composed of LiH, MgH{sub 2}, Mg(NH{sub 2}){sub 2} and Mg{sub 3}N{sub 2}.

  15. Kinetics of varnish long-term drying process monitored by a heterogeneous optical sensor system

    International Nuclear Information System (INIS)

    Saccon, F A M; De Oliveira, F M D R; Ribas, M O; Zambianchi, P Jr; Muller, M; Fabris, J L

    2013-01-01

    The drying process of an acrylic varnish film was monitored over 24 h by a heterogeneous optical sensor system. The system employs a fibre optic transducer based on Bragg gratings and optical coherence tomography, operating respectively around 1.55 and 1.3 µm. The sensor is able to provide information about the temporal evolution of temperature, mechanical deformation, thickness and average refractive index of the coating during the drying process. Resolutions for these optically measured parameters are 0.05 °C (temperature), 0.5 µε (strain), 1.5 µm (thickness) and 0.004 (refractive index). Besides, the sensor can detect the growth of a surface dry skin and supply information about the film bulk uniformity. A model for the mass loss of solvent as the drying process evolves is also discussed. (paper)

  16. Kinetic isotope effects in the CH4 + H→CH3 + H2 system. Predictions of the LMR six-body potential-energy reaction hypersurface

    International Nuclear Information System (INIS)

    Marriott, T.D.

    1976-01-01

    Scope of Study: The purpose of this study was two-fold. First, it served to test, in part, the usefulness of the LMR six-body potential-energy surface (LMR-PES) for transition-state theory predictions of the kinetic isotope effects for both the forward and reverse reactions of CH 4 + H reversible CH 3 + H 2 . In this regard the agreement between experimental and theoretical isotope effects, assuming the former to be accurate, provides information about the accuracy of the curvature of the potential energy surface for motion both parallel and perpendicular to the reaction coordinate. Second, these isotope effects were used to assess the validity of a number of qualitative and semi-quantitative interpretations of kinetic isotope effects developed in physical organic chemistry with regard to this reaction system. The force constants and geometries obtained numerically from the LMR-PES were found to produce reasonable harmonic approximations to the reactant normal mode frequencies. Neglecting tunneling, the LMR-PES reasonably reproduces the experimental k/sub H//k/sub D/ values for the reactions CH 4 + H(D), CH 3 + HD(DH) and CD 2 + HD(DH). Since previous theoretical treatments of primary deuterium kinetic isotope effects have neglected the bending normal mode frequencies, a semi-quantitative study of the effect of neglecting bending frequencies on the VP, EXC, and ZPE elements as well as the transition-state theory kinetic isotope effects was performed. The Swain-Schaad relationship between primary deuterium and tritium kinetic isotope effects was shown to hold to a reasonable degree of accuracy for the LMR-PES reaction system. A relationship between 13-carbon and 14-carbon kinetic isotope effects similar to the Swain-Schaad relationship was derived

  17. Limitations of microbial hydrocarbon degradation at the Amon mud volcano (Nile deep-sea fan

    Directory of Open Access Journals (Sweden)

    J. Felden

    2013-05-01

    Full Text Available The Amon mud volcano (MV, located at 1250 m water depth on the Nile deep-sea fan, is known for its active emission of methane and non-methane hydrocarbons into the hydrosphere. Previous investigations showed a low efficiency of hydrocarbon-degrading anaerobic microbial communities inhabiting the Amon MV center in the presence of sulfate and hydrocarbons in the seeping subsurface fluids. By comparing spatial and temporal patterns of in situ biogeochemical fluxes, temperature gradients, pore water composition, and microbial activities over 3 yr, we investigated why the activity of anaerobic hydrocarbon degraders can be low despite high energy supplies. We found that the central dome of the Amon MV, as well as a lateral mud flow at its base, showed signs of recent exposure of hot subsurface muds lacking active hydrocarbon degrading communities. In these highly disturbed areas, anaerobic degradation of methane was less than 2% of the methane flux. Rather high oxygen consumption rates compared to low sulfide production suggest a faster development of more rapidly growing aerobic hydrocarbon degraders in highly disturbed areas. In contrast, the more stabilized muds surrounding the central gas and fluid conduits hosted active anaerobic hydrocarbon-degrading microbial communities. The low microbial activity in the hydrocarbon-vented areas of Amon MV is thus a consequence of kinetic limitations by heat and mud expulsion, whereas most of the outer MV area is limited by hydrocarbon transport.

  18. Experimental infrared measurements for hydrocarbon pollutant determination in subterranean waters

    Science.gov (United States)

    Lay-Ekuakille, A.; Palamara, I.; Caratelli, D.; Morabito, F. C.

    2013-01-01

    Subterranean waters are often polluted by industrial and anthropic effluents that are drained in subsoil. To prevent and control pollution, legislations of different developed countries require an online monitoring measurement, especially for detecting organic solvents (chlorinated and unchlorinated ones). Online measurements include both real-time and no real-time measurements. In general, it is difficult to implement real-time measurements in stricto sensu for online acquisitions on aqueous effluents since they need to be processed by a modeling. This research presents an experimental measurement system based on infrared (IR) spectroscopy for aqueous effluents containing hydrocarbons and capable of displaying excellent values of pollutant concentrations even in instable conditions; the system is able to detect pollutants either in laminar or turbulent flow. The results show the possibility of avoiding the use of "Pitot tube" that is employed to create a stagnation point in order to convert kinetic energy into potential one. This conversion allows the transformation of a turbulent flow in a laminar flow making easy measurement of pollutants included in an aqueous effluent. Obviously, "Pitot tube" is also used for other fluid effluents. The obtained results have been compared with those produced by means of sophisticated IR instrumentation for laboratory applications.

  19. Tav4SB: integrating tools for analysis of kinetic models of biological systems.

    Science.gov (United States)

    Rybiński, Mikołaj; Lula, Michał; Banasik, Paweł; Lasota, Sławomir; Gambin, Anna

    2012-04-05

    Progress in the modeling of biological systems strongly relies on the availability of specialized computer-aided tools. To that end, the Taverna Workbench eases integration of software tools for life science research and provides a common workflow-based framework for computational experiments in Biology. The Taverna services for Systems Biology (Tav4SB) project provides a set of new Web service operations, which extend the functionality of the Taverna Workbench in a domain of systems biology. Tav4SB operations allow you to perform numerical simulations or model checking of, respectively, deterministic or stochastic semantics of biological models. On top of this functionality, Tav4SB enables the construction of high-level experiments. As an illustration of possibilities offered by our project we apply the multi-parameter sensitivity analysis. To visualize the results of model analysis a flexible plotting operation is provided as well. Tav4SB operations are executed in a simple grid environment, integrating heterogeneous software such as Mathematica, PRISM and SBML ODE Solver. The user guide, contact information, full documentation of available Web service operations, workflows and other additional resources can be found at the Tav4SB project's Web page: http://bioputer.mimuw.edu.pl/tav4sb/. The Tav4SB Web service provides a set of integrated tools in the domain for which Web-based applications are still not as widely available as for other areas of computational biology. Moreover, we extend the dedicated hardware base for computationally expensive task of simulating cellular models. Finally, we promote the standardization of models and experiments as well as accessibility and usability of remote services.

  20. Space Station Integrated Kinetic Launcher for Orbital Payload Systems (SSIKLOPS) - Cyclops

    Science.gov (United States)

    Smith, James P.; Lamb, Craig R.; Ballard, Perry G.

    2013-01-01

    Access to space for satellites in the 50-100 kg class is a challenge for the small satellite community. Rideshare opportunities are limited and costly, and the small sat must adhere to the primary payloads schedule and launch needs. Launching as an auxiliary payload on an Expendable Launch Vehicle presents many technical, environmental, and logistical challenges to the small satellite community. To assist the community in mitigating these challenges and in order to provide the community with greater access to space for 50-100 kg satellites, the NASA International Space Station (ISS) and Engineering communities in collaboration with the Department of Defense (DOD) Space Test Program (STP) is developing a dedicated 50-100 kg class ISS small satellite deployment system. The system, known as Cyclops, will utilize NASA's ISS resupply vehicles to launch small sats to the ISS in a controlled pressurized environment in soft stow bags. The satellites will then be processed through the ISS pressurized environment by the astronaut crew allowing satellite system diagnostics prior to orbit insertion. Orbit insertion is achieved through use of the Japan Aerospace Exploration Agency's Experiment Module Robotic Airlock (JEM Airlock) and one of the ISS Robotic Arms. Cyclops' initial satellite deployment demonstration of DOD STP's SpinSat and UT/TAMU's Lonestar satellites will be toward the end of 2013 or beginning of 2014. Cyclops will be housed on-board the ISS and used throughout its lifetime. The anatomy of Cyclops, its concept of operations for satellite deployment, and its satellite interfaces and requirements will be addressed further in this paper.